ID	m/z	Retention time (min)	Ion mode	Metabolites	Compound ID	Super Class	Class	Sub Class	level	kegg	Score	Fragmentation Score	Adducts	Formula	Mass Error (ppm)	QC1	QC2	QC3	WT-1	WT-2	WT-3	WT-4	WT-5	WT-6	WT-7	WT-8	OIR-1	OIR-2	OIR-3	OIR-4	OIR-5	OIR-6	OIR-7	OIR-8
12.36_809.5908n	810.5979401	12.3611	pos	"PE(19:0/22:4(7Z,10Z,13Z,16Z))"	LMGP02010791	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			45	42.2	"M+H-H2O, M+H"	C46H84NO8P	-3.272569645	35350449.26	54415316.17	38524154.55	34810334.59	31599057.91	32078744.68	34654739.6	36058157.32	34653302.97	35023352.07	34853988.4	60663630.8	49789562.5	53467644.97	67701362.26	37676027.38	25299410.87	31111308.17	36207205.76
12.36_768.5518m/z	768.5517985	12.3611	pos	"PE(P-18:0/20:4(6E,8Z,11Z,14Z)(5OH[S]))"	LMGP20020013	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			44.4	30.7	M+H	C43H78NO8P	-2.583650302	6001408.318	4871274.233	5558087.51	6022747.991	6037643.679	6315878.278	6412203.175	6379768.113	6173153.99	6524453.914	6457451.32	4056119.142	1706023.557	1798936.706	1294044.331	1798918.601	4984971.457	5617342.177	5282571.423
12.54_755.5436n	756.5508281	12.54093333	pos	"PC(14:1(9Z)/20:2(11Z,14Z))"	59363	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C00157	36.8	0	"M+H, M+Na, M+H-H2O"	C42H78NO8P	-3.908949184	7211427.639	8455137.788	6129476.12	6650941.308	6157117.532	6152907.27	6580009.403	6994501.676	7127520.513	6427562.917	7277058.057	2767819.284	3213124.104	4042221.206	4092657.361	3920976.341	3186456.078	4763656.284	5447974.477
1.30_132.1018m/z	132.1018182	1.296916667	pos	L-Isoleucine	23	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00407	52.6	70	M+H	C6H13NO2	-0.662786713	14135540.23	15238517.6	14432803.74	14891218.71	14077482.99	13698791.56	13089057.17	12285599.68	10703045.89	14100704.44	13503461.23	14698793.09	16185478.65	15384373.08	16366814.76	15375022.1	15441131.17	15918288.87	18164931.42
2.06_148.0524n	166.0860414	2.057533333	pos	"3,4-Dihydro-2H-1-benzopyran-2-one"	HMDB0036626	Phenylpropanoids and polyketides	"3,4-dihydrocoumarins"	Unclassified	***	C02274	49.6	49.2	"M+H-H2O, M+NH4, M+H"	C9H8O2	-0.445820341	12647468.16	14335209.56	12837974.45	14122485.02	13512658.29	11757480.57	11851426.11	11561295.96	10127937.15	12246382.48	12517057.63	13946700.83	14388862.52	14375508.67	15124401.91	14120373.34	14020872.34	14166003.44	16067965.84
12.02_805.5829n	850.5601372	12.01765	neg	PS(18:0/19:0)	LMGP03010317	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			40.1	10.9	"M-H, M+FA-H"	C43H84NO10P	-0.52122835	17492950.03	13801008.99	16631847.14	16498601.52	17346158.69	17880854.89	15580490.03	19135788.34	18421555.77	19698587.25	20156186.34	16470355.42	7968095.609	13257559.35	15659562.73	16216883.77	18349958.72	17378722.83	15810632.38
10.69_495.3316n	496.3388795	10.69353333	pos	LysoPC(0:0/16:0)	HMDB0240262	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	***		56.9	87.5	"M+H, M+Na, M+K, M+H-H2O"	C24H50NO7P	-1.789771511	14852602.85	14599493.48	15065084.56	15637368.97	15541445.77	17017329.53	16170919.66	12199441.82	14516394.76	14391031.59	15427166.71	15910148.8	17304640.47	17429480.67	16909480.55	15974204.63	17193372.59	16557189.94	16536641.29
1.26_207.0795m/z	207.079536	1.25845	pos	Glycyl-Methionine	85757	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.2	36.9	M+H	C7H14N2O3S	-1.231275126	4781.771027	4745.566754	5577.933417	2949.994131	8969.576121	3159.911895	6266.686774	847.8696548	1076.402335	9255.716207	4514.302069	918.7587105	5302.682254	8373.020253	6129.037952	5190.172673	8188.127219	2829.775431	4558.102946
10.48_476.2742m/z	476.2742491	10.48398333	pos	1-(2-methoxy-13-methyl-6Z-tetradecenyl)-sn-glycero-3-phosphoethanolamine	LMGP02060010	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			45.2	33.9	M+Na	C21H44NO7P	-1.127199344	6170.550601	5004.030843	6382.585775	6780.494194	6859.499851	5902.446477	5299.202771	4435.598993	6696.126462	4958.206315	5524.29414	6848.996246	7167.233258	6156.055045	5222.330672	5121.119405	5474.335064	6647.559899	8035.594178
11.15_552.3674m/z	552.3674039	11.14685	neg	PC(O-18:1(11Z)/0:0)	LMGP01060034	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			45.2	31.6	M+FA-H	C26H54NO6P	0.642443491	48192.70081	45235.80655	46222.18798	45941.99704	55220.61385	71168.0859	51717.37045	64903.41794	55742.06242	50835.67114	44632.31497	46924.77802	42477.01043	41150.68362	52114.66503	53285.97145	60899.53776	56175.78568	41963.92293
12.54_750.5402m/z	750.540249	12.54093333	pos	"PE(P-18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))"	LMGP20020007	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			45.2	44.4	M+H-H2O	C43H78NO8P	-3.866601772	589313.7797	509173.925	535951.0321	527874.7508	512043.7869	510145.8405	489740.7179	600913.9308	506468.913	579835.6833	614903.6117	565869.9595	536802.3557	179419.6805	437966.6713	553113.2196	707524.9016	556554.1871	558417.4745
15.70_165.0908m/z	165.0907586	15.69795	pos	5-oxo-7-decynoic acid	LMFA01030579	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			45.2	38.6	M+H-H2O	C10H14O3	-1.358891223	47867.50105	41981.78214	44455.39066	47251.68011	46134.51037	48300.05642	48585.60552	47577.86873	46685.00882	49490.49161	55548.19191	43844.68651	44493.62165	42626.11084	45131.27978	48808.03792	43626.14389	46328.58319	44652.7603
15.72_161.0957m/z	161.0957368	15.71671667	pos	3-Phenyl-4-pentenal	93433	Benzenoids	Benzene and substituted derivatives	Unclassified			45.2	40.2	M+H	C11H12O	-2.215204683	44391.88708	40745.45644	40411.47344	45281.47144	45266.54277	44115.03025	48623.7589	46796.06991	44762.91998	43742.17717	47906.05019	40599.05319	44053.69339	41359.43923	46223.69911	45251.02604	43531.6818	46161.48516	43310.26162
15.78_255.2312m/z	255.2312068	15.77676667	pos	cis-7-Hexadecenoic Acid	45058	Unclassified	Unclassified	Unclassified			45.2	38.7	M+H	C16H30O2	-2.556175038	9665.797682	10027.27993	9529.41902	9791.473223	9946.398423	9722.856827	9548.331406	10437.47098	10512.0994	10713.63063	11048.01161	11162.08091	10493.26758	9745.861599	9605.278768	9610.305176	10045.58732	10039.77119	9889.325421
4.16_232.1179m/z	232.1179131	4.1621	pos	Isovalerylglutamic acid	5694	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.2	37.8	M+H	C10H17NO5	-0.155522456	911.0844328	981.5441359	1086.975888	705.5321384	1138.019689	729.0373424	756.0035823	2601.09933	1911.358283	749.7153604	698.2878148	1079.730732	843.0446227	780.3650537	732.4509057	586.0799804	830.8728479	691.6955783	971.9652657
0.71_365.0490m/z	365.0490216	0.712816667	neg	Phosphoribosyl formamidocarboxamide	HMDB0001439	"Nucleosides, nucleotides, and analogues"	Imidazole ribonucleosides and ribonucleotides	1-ribosyl-imidazolecarboxamides	**	C04734	45.1	41.3	M-H	C10H15N4O9P	-3.733579162	65195.12396	59505.08917	53526.71503	39687.54263	133446.233	70668.58693	58080.81186	17371.91285	32331.19293	94762.13713	57107.31373	24295.26449	69925.46293	43488.96731	61193.49422	67640.06091	37190.45753	34619.24967	33455.26694
0.73_276.1186m/z	276.1185685	0.729216667	pos	Gamma-Glutamylglutamine	62461	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C05283	45.1	42	M+H	C10H17N3O6	-1.610867826	54913.27653	40584.9826	49882.43958	33896.25543	55002.19733	48906.38305	45151.76511	61787.92223	50830.59161	58433.75132	40174.61573	71189.97493	47449.3695	69597.94325	55181.61141	58402.06422	42598.22066	49029.17605	59059.68481
0.87_261.0532m/z	261.0531816	0.870166667	pos	"2E,4E,8E,10E-Dodecatetraenedioic acid"	LMFA01170008	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			45.1	36.6	M+K	C12H14O4	3.668072812	35270.3049	31241.3585	30813.99476	33769.0082	28401.67365	36133.32962	26286.16141	25890.46929	26292.5575	29329.14364	24568.57194	36833.3622	28809.81252	22312.25198	29191.49094	24966.64201	31633.54412	38883.95882	45687.45584
1.94_279.1009m/z	279.1009004	1.94375	pos	gamma-Glutamylmethionine	HMDB0034367	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.1	30.3	M+H	C10H18N2O5S	-0.067366709	44585.6906	46289.26016	43419.20314	39535.59176	50266.61688	46903.19213	36905.27042	53214.04242	55147.12598	51129.06116	42376.19125	49663.41216	43982.51855	42276.8512	46168.51093	41888.84592	41493.48137	44895.49838	46236.83004
2.31_311.1234m/z	311.1234361	2.3126	pos	Glutamyltyrosine	HMDB0028831	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.1	30.3	M+H	C14H18N2O6	-1.053144831	68767.31895	70875.50395	70911.85387	62650.3737	75990.674	78411.0177	62862.47765	77645.13217	89847.20517	80405.1509	60462.99824	80793.08106	74151.18415	70361.12162	69645.6803	62850.12418	66083.08669	60954.17044	76872.57452
4.37_273.0915m/z	273.0914656	4.372916667	neg	N-gamma-Glutamyl-S-propylcysteine	HMDB0039096	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.1	32.1	M-H2O-H	C11H20N2O5S	0.047952668	4482.538993	4991.969943	4841.943174	5361.576351	5147.591628	5166.650579	6354.442865	4717.651225	5543.349464	5016.835821	5582.900022	6021.968056	5158.429877	4808.382294	4289.505362	3765.252302	4087.872124	4299.094865	4876.493791
10.03_512.3343m/z	512.3343238	10.02715	pos	PA(8:0/13:0)	HMDB0115484	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates			45	29.5	M+NH4	C24H47O8P	-0.721824115	19304.98741	20187.16894	22141.90723	18653.37481	19623.67397	20903.52481	22383.42614	18901.19572	25871.89685	19041.6211	20150.14345	19801.6786	18749.60812	20615.01088	23169.79258	19956.5378	25151.02886	20834.41149	22867.28671
10.53_502.2942m/z	502.2941894	10.5305	neg	"LysoPE(0:0/20:3(5Z,8Z,11Z))"	HMDB0011485	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		45	30.1	M-H	C25H46NO7P	0.549084039	49385.04291	49296.40509	49596.52826	59379.19479	60946.08066	49127.70648	58164.06652	26584.57053	40502.00091	41259.52069	49486.73975	57567.23342	87804.37225	68516.3607	58583.1044	56841.40692	55087.7189	51117.26504	73817.55972
11.19_598.3856m/z	598.3855855	11.1894	pos	"LysoPC(22:2(13Z,16Z))"	HMDB0010400	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	45	34.2	M+Na	C30H58NO7P	2.215917907	7168.965161	7777.779768	6935.504631	8868.369193	5139.331274	4974.676751	10940.23713	4376.156026	10184.94437	5789.810036	8809.015061	8922.196881	9317.767078	10718.71094	9427.966075	7758.223033	9746.922486	8209.599524	10237.79522
12.96_898.5597m/z	898.5596905	12.96181667	neg	"PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	LMGP01011925	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		45	43.1	M+FA-H	C50H80NO8P	-0.782045572	76773.59541	59604.02294	77423.71723	82989.59493	50599.78229	92350.56598	79282.49961	89335.75918	108950.7674	78620.79311	76957.49608	49126.21465	77791.37477	86848.16188	96049.06839	101873.0288	93854.15398	100299.0086	97920.22375
13.66_118.0863m/z	118.0862719	13.66101667	pos	2-Amino-3-methylbutanoic acid	74879	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00183	45	31.3	M+H	C5H11NO2	0.143765439	31802.56108	24412.97762	30092.33606	29304.19696	36390.68966	38331.97958	30533.22607	33669.45474	32401.03259	36650.77261	28539.4133	24211.00716	28475.83395	25965.42997	30599.66231	29053.30169	31646.66096	28214.7437	27753.24276
15.74_122.0717m/z	122.0716702	15.73598333	pos	Histidinal	HMDB0012234	Organic nitrogen compounds	Organonitrogen compounds	Amines	**	C01929	45	35.9	M+H-H2O	C6H9N3O	2.851498506	20135.66687	20245.25432	19867.59719	21688.3241	18805.7209	18841.30525	19842.16	17220.75338	19124.10543	18252.81305	18199.60706	20226.01888	19739.09324	18746.55367	21522.58554	22626.76432	20304.05226	19726.25825	19803.27135
3.85_348.0703m/z	348.0702692	3.847383333	pos	7-alpha-D-Ribosyladenine 5'-phosphate	66172	Unclassified	Unclassified	Unclassified			45	30.1	M+H	C10H14N5O7P	-0.264046257	39947.04083	37565.41991	35923.09805	40432.50126	41590.28067	44227.25588	37230.27701	28891.21878	33164.67615	47084.96456	40884.53271	31895.54418	38452.08678	37255.87427	41807.41844	40160.25441	37542.39396	42656.78034	38319.89869
5.37_244.9850m/z	244.985048	5.369183333	neg	Octafluorocyclobutane	HMDB0031292	Organohalogen compounds	Organofluorides	Unclassified			45	29.8	M+FA-H	C4F8	-1.903483424	18752.56073	20531.20026	20133.07106	21395.34538	22046.68839	19595.80832	21438.82352	19347.40305	18597.25181	20586.43719	23303.8622	18820.29009	19666.02607	20298.85365	19312.67586	22004.34579	19772.20198	20553.40176	21027.30914
9.11_236.1049m/z	236.1048716	9.111633333	neg	4-Hydroxydebrisoquine	HMDB0006468	Organoheterocyclic compounds	Tetrahydroisoquinolines	Unclassified			45	31.1	M+FA-H	C10H13N3O	4.221275035	7320.924969	8337.466043	7121.64115	5956.850357	8881.457167	5309.416585	8412.463347	9457.620498	10572.59729	9299.034191	9335.565033	5381.021067	5825.896955	8237.868359	9296.042327	8338.79914	5512.058667	5668.482458	6727.84697
9.47_581.2408m/z	581.2408246	9.46865	neg	Biliverdin	HMDB0001008	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Bilirubins	**	C00500	45	33.7	M-H	C33H34N4O6	0.457214466	3466.572162	2111.949517	3003.511733	2842.598661	3864.159633	4667.042925	2452.990887	3084.582619	4566.470165	2758.853448	1450.814218	6192.633056	1818.459435	1884.827255	2368.741521	2946.574141	2597.446121	3233.858719	4690.452964
0.44_101.0600m/z	101.0600436	0.439416667	pos	"2,3-Pentanedione"	87796	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		44.9	29.3	M+H	C5H8O2	3.374598669	110744.4308	120553.4801	113521.0586	113693.7739	105640.704	119038.2532	117368.1367	116926.9132	105943.6221	115871.7796	115207.375	123581.4647	119558.0192	109877.2617	116534.6467	116575.6235	107455.0817	119188.071	102360.2889
0.71_203.0663m/z	203.0663278	0.712816667	neg	γ-D-Glutamylglycine	24059	Unclassified	Unclassified	Unclassified			44.9	35.5	M-H	C7H12N2O5	-4.984674219	28474.65174	28419.64744	27758.66501	24000.70808	41043.10784	30634.30046	33936.8742	23911.4314	25058.10152	39568.20308	29506.76094	24579.80552	28542.1894	33731.06314	34614.53479	32871.34645	37506.705	29271.47584	30597.13374
0.73_175.0711m/z	175.0711181	0.729216667	pos	Formimino-L-glutamic acid	335	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00439	44.9	27.8	M+H	C6H10N2O4	-1.236126125	21759.8321	19407.6681	19010.78445	20667.7428	12675.98418	21947.99206	14946.61389	43029.87491	18943.76888	10780.90206	14929.27317	25725.36505	13129.77251	19686.44562	31240.75998	22135.82185	32592.56753	20367.86771	14282.38619
1.90_282.0961n	305.085378	1.903316667	pos	8-Oxocoformycin	65737	Unclassified	Unclassified	Unclassified			44.9	31.6	"M+H, M+Na"	C11H14N4O5	-1.21927146	16688.78852	15625.64294	14326.61434	15853.03856	12791.0401	11169.43286	14412.65901	25342.56477	22276.35134	10977.64631	13694.73663	36183.1505	15967.9912	15268.89729	18466.53529	12220.43242	14287.82627	15814.64915	18038.2571
10.53_361.2730m/z	361.273017	10.52578333	pos	Nordeoxycholic acid	LMST04060020	Lipids and lipid-like molecules	Sterol Lipids	Bile acids and derivatives			44.9	31.5	M+H-H2O	C23H38O4	-1.86228757	64507.74144	66719.44572	66709.96569	72071.35478	80025.80055	84475.18838	76226.35018	30542.19276	36057.27946	59655.38409	72413.47042	40320.82389	95027.8539	94303.49181	82855.97762	71967.59221	80338.2259	72878.51561	100774.3568
15.53_140.0815m/z	140.0815181	15.52508333	pos	4-Amino-5-hydroxymethyl-2-methylpyrimidine	3265	Unclassified	Unclassified	Unclassified			44.9	29.4	M+H	C6H9N3O	-2.303018195	180077.3394	186435.2797	186546.0662	195390.9224	179197.3095	181608.6945	190810.2957	191259.0258	191279.5746	186432.4683	190398.8178	188066.5285	182636.5294	172320.6169	196133.4428	212661.045	188202.5481	190475.7649	174132.1598
15.70_271.2626m/z	271.2625592	15.69795	pos	Heptadecanoic acid	HMDB0002259	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		44.9	30.3	M+H	C17H34O2	-2.211133331	151283.6608	126911.9971	140538.6478	153008.6679	144717.1053	148424.9269	161076.58	146427.6766	150070.7752	148293.7131	159998.4225	124744.8912	128909.9481	127261.6371	149840.7716	141525.1658	144473.3111	151205.005	143134.5877
3.15_273.1091m/z	273.1091021	3.150516667	neg	Prolyl-Hydroxyproline	HMDB0029018	Unclassified	Unclassified	Unclassified			44.9	28.9	M+FA-H	C10H16N2O4	-0.472483055	985.0741094	976.7304781	940.2789709	302.3376135	869.3780697	713.4645834	634.9710523	5142.881213	3000.983993	472.3205566	356.4392751	3235.614942	530.2684406	485.9125099	358.9104259	222.764746	327.0188819	227.9404061	420.1211243
3.31_380.1561m/z	380.1561495	3.313233333	neg	(R)-Pantothenic acid 4'-O-b-D-glucoside	HMDB0033965	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		44.9	28.6	M-H	C15H27NO10	-0.184019144	10046.36973	10065.40886	10623.33488	11280.14885	14149.25758	19593.65569	8627.675885	27342.12795	8709.810157	14078.23344	9316.282276	6655.939989	10866.41272	7618.361505	8178.874519	8977.715972	7962.297475	8242.396103	10106.34759
3.53_655.2262m/z	655.2261917	3.534466667	neg	Triphyllin A	LMPK12020169	Lipids and lipid-like molecules	Polyketides	Flavonoids			44.9	32.8	M-H	C30H40O16	2.793185473	34498.58623	32584.32537	37990.38871	36035.13087	35306.41541	35643.0389	36867.70869	22916.83692	21087.40857	33475.97391	31154.78188	36821.09135	33576.54543	43585.15405	38849.32281	34513.35837	44734.46021	43091.12567	60843.60785
5.99_348.1935n	347.1862453	5.9896	neg	Gibberellin A14	LMPR0104170015	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids		C11858	44.9	30.2	"M-H, M+FA-H"	C20H28O5	-0.437431711	678.1783166	472.4131549	778.4049067	0.000297236	0.000297236	0.000297236	0.000297236	8410.283425	3255.446213	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	504.0576186	277.6616301	415.2464217	538.9350683	0.000297236
7.01_382.1537m/z	382.1536919	7.009116667	pos	hydroxytorsemide	HMDB0060982	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinesulfonamides			44.9	34.6	M+NH4	C16H20N4O4S	-1.811889808	25232.42365	26743.65377	23868.90784	36883.93826	21482.1283	27517.93456	19961.5218	23567.07171	26294.02547	20675.03966	21342.89895	31586.43919	17616.19393	15953.32373	34002.39292	32701.68291	29489.30278	35027.97519	22747.4367
8.37_230.2475m/z	230.2475162	8.368816667	pos	Xestoaminol C	53933	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			44.9	29.2	M+H	C14H31NO	-1.41717902	10455.04538	11353.76405	10989.52776	10517.43116	16990.42369	7523.9585	9692.52352	9387.569243	8913.52734	9312.161993	9233.569719	10294.79904	11004.69979	8429.946302	10420.08918	10006.23513	7873.358644	18835.83183	9929.537237
0.75_231.1336m/z	231.1336198	0.7465	pos	Valyl-Hydroxyproline	HMDB0029128	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.8	31	M+H	C10H18N2O4	-1.363055944	34100.16363	41096.7166	34819.92792	44351.99044	42183.73934	28849.22607	41773.24613	28045.98937	28119.8915	32448.31304	30178.98522	50252.4943	43457.38014	39796.15712	34111.97487	40399.26037	32769.49563	44248.75714	49217.83635
0.82_292.1037m/z	292.1037078	0.819	neg	Linamarin	HMDB0033699	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01594	44.8	28.8	M+FA-H	C10H17NO6	-0.333377976	13360.90657	12239.85338	12292.36643	14401.98358	10031.58859	27940.69022	6830.654853	19122.14735	21641.6915	13612.80226	10800.6238	13210.33313	10918.93373	6989.496222	7783.480389	8826.702969	7677.978612	7948.882283	8750.417943
1.59_245.1494m/z	245.1493757	1.592583333	pos	Isoleucyl-Hydroxyproline	HMDB0028908	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.8	28.5	M+H	C11H20N2O4	-0.851520511	92542.8824	99291.00202	94619.21813	87754.40741	67971.68493	71875.34944	88430.03357	76166.23307	116469.1687	71321.84924	96168.51328	243083.3469	94286.62004	95645.41717	88406.94435	77464.49352	84164.62444	94386.1321	107104.7241
10.87_343.2276m/z	343.2276071	10.87058333	neg	(±)20-HDoHE	36448	Unclassified	Unclassified	Unclassified			44.8	29.1	M-H	C22H32O3	-0.759284143	32445.18447	38046.53417	34152.9206	28681.19489	25877.8511	34680.7993	28181.5515	50458.47759	26066.1253	31394.61457	28675.00318	39448.62321	21359.57178	18557.03782	28991.00737	37225.87397	31216.22532	42206.32688	44197.54552
12.18_326.3046m/z	326.3046122	12.17966667	pos	Oleoyl Ethanolamide	24103	Organic nitrogen compounds	Organonitrogen compounds	Amines			44.8	31.4	M+H	C20H39NO2	-2.286393514	21423.5237	19248.39519	20806.66958	21730.33599	26425.21889	28157.35241	19156.35342	14798.95564	17429.02647	23523.03451	22002.41836	18706.16319	22385.34507	21776.76128	21457.6658	23913.11899	22586.59887	22739.34891	23463.5796
15.76_212.1773n	213.1845219	15.75651667	pos	"2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol"	HMDB0037907	Organoheterocyclic compounds	Tetrahydrofurans	Unclassified			44.8	34.5	"M+H-H2O, M+H"	C13H24O2	-1.453666231	42995.53566	46238.98104	41695.06006	43031.78263	44332.29156	42176.9825	42884.92686	42775.48453	43995.4768	42490.4076	46033.75954	43816.98028	45131.61698	40842.11309	42189.52566	42414.28968	40093.81777	41543.30183	44054.12966
2.14_242.0899n	265.079193	2.13775	pos	Thymidine	3375	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides	**	C00214	44.8	29.9	"M+H, M+Na"	C10H14N2O5	-1.400240377	16085.26866	17878.98583	17464.66618	19016.33162	7783.321597	8514.034545	16712.93888	15147.56955	34132.36055	9037.056223	21033.07535	33694.29315	18127.40808	20903.20197	14934.06106	13142.2126	10816.50477	13145.97966	21838.07895
6.98_310.1636m/z	310.1635829	6.979416667	neg	Arginyl-Histidine	HMDB0028711	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.8	27.5	M-H	C12H21N7O3	0.873381558	4796.706291	5898.117019	4627.474889	5843.132257	4133.847797	3854.67006	5755.006811	4321.397557	4342.158137	4542.636679	4908.893849	4185.120732	5413.114742	5629.495821	4574.623276	5059.616935	4175.558363	4642.10164	5742.716174
8.02_251.0922m/z	251.0921542	8.016883333	neg	"2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one"	HMDB0041410	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			44.8	28.1	M+FA-H	C12H14O3	-1.664225757	8091.639454	7340.671739	8454.200219	7673.909658	7919.951362	6740.621194	8492.813731	7280.069802	8228.206666	7221.931149	7827.645312	7000.104548	7682.179206	7188.051328	8058.690999	7483.643475	7807.936095	8612.389056	8574.570273
9.47_309.1707m/z	309.1707447	9.46865	neg	"12-Oxo-2,3-dinor-10,15-phytodienoic acid"	HMDB0032090	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		44.8	31.7	M+FA-H	C16H24O3	-0.010678645	16529.27318	12877.15611	14955.83957	18091.28287	18942.36805	11181.50212	21357.05912	18718.30393	21449.83342	15369.8908	15927.35472	15525.50851	15511.05246	20404.49532	22075.59583	22629.06767	17165.83188	16711.71775	18555.66161
0.44_142.0627n	125.0594129	0.439416667	pos	4-Oxocyclohexanecarboxylate	66041	Unclassified	Unclassified	Unclassified			44.7	30.3	"M+H-H2O, M+H"	C7H10O3	-2.062394072	76435.87397	66082.29772	73490.94972	67207.84938	64300.49347	71110.71291	74644.23019	76756.60933	72807.8635	75227.108	81997.57368	70608.28365	63003.81592	64039.19027	70481.86861	72812.18827	61351.37375	72805.54741	64588.06855
0.44_271.2628m/z	271.2627614	0.439416667	pos	15-Methylpalmitate	HMDB0061709	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		44.7	28	M+H	C17H34O2	-1.462764829	525045.5032	460638.8969	507888.9886	530876.296	514774.1453	542303.5941	535517.6491	543186.0731	523624.0625	550117.8737	556150.1233	445751.4312	470803.8198	470290.2049	488327.1578	505807.8129	487990.2412	532427.6918	492928.7843
0.82_147.0895n	130.0862441	0.816033333	pos	2-amino-6-hydroxyhexanoic acid	HMDB0142963	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.7	26.8	"M+H-H2O, M+H"	C6H13NO3	-0.074637866	79276.62044	83380.96619	78137.78521	68489.02712	111739.4711	136670.7876	62895.5428	112638.4797	64021.40083	108418.542	57527.60121	138871.8644	62208.4339	64161.15861	54592.91522	54816.09476	65299.35322	64546.71814	59732.06618
1.48_219.0768m/z	219.076836	1.48375	neg	gamma-Glutaminyl-4-hydroxybenzene	HMDB0029451	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.7	38.7	M-H2O-H	C11H14N2O4	-2.855243472	2637.039682	2892.39546	2993.823659	2888.073609	2678.597237	2607.242207	2223.28336	2802.542286	2544.55254	2545.814797	2593.847688	3388.842671	2350.786674	2177.554042	2789.584132	2836.4926	2777.488636	3389.039218	3194.192366
11.00_345.2433m/z	345.2433025	10.99718333	neg	Allylestrenol	LMST02030125	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids		C12811	44.7	29.4	M+FA-H	C21H32O	-0.719320693	5272.636936	6710.780639	5962.441977	5122.465075	3572.546973	3835.152837	3917.284983	14666.08006	8516.598267	3471.076185	4127.046685	12087.51794	4148.022559	4652.712311	4859.338725	5141.589534	3776.513982	5414.691927	5955.880717
13.39_247.1660m/z	247.1660206	13.39206667	pos	S-cucujolide III	LMFA07040046	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			44.7	32	M+Na	C14H24O2	-3.702671198	1378582.296	1074753.06	1399333.196	1411610.514	1309857.822	1337718.394	1353096.024	1364198.146	1347344.203	1395320.067	1417990.968	1155451.875	1278125.189	1283995.801	1320976.381	1391448.329	1369704.853	1401186.195	1336475.084
13.81_343.2628m/z	343.2628117	13.8088	pos	Docosahexaenoic Acid methyl ester	44958	Unclassified	Unclassified	Unclassified			44.7	28	M+H	C23H34O2	-1.008240335	19649.53528	12883.45639	16064.90591	26308.27216	11389.156	28084.06825	21151.38933	6873.753591	5189.203626	12321.88075	13120.63324	9299.697692	15926.2039	16595.43806	17303.60041	22521.29131	18753.2488	26782.98311	29170.29103
2.35_189.1233m/z	189.1232896	2.351833333	pos	Glycyl-Isoleucine	85755	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.7	28.4	M+H	C8H16N2O3	-0.420979467	5177.483027	5682.120513	4995.764351	2931.087244	7609.308493	3075.083382	5779.366113	1569.545637	2061.078774	7380.602621	3865.190032	2156.296436	6253.477495	9912.756861	7026.109435	6697.226391	6813.378964	3479.213351	5389.700742
3.39_253.1180m/z	253.1179996	3.393916667	pos	Serinyl-Phenylalanine	85939	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.7	29.1	M+H	C12H16N2O4	-1.125820078	2661.289152	2463.069654	2675.678715	2173.222345	3618.96281	2387.434597	3641.529465	1126.699046	681.4203487	3570.21164	2203.054719	1303.016259	3502.924122	3668.300432	3235.339008	2950.617446	2996.935422	1518.008279	2929.91543
3.53_475.0320m/z	475.0320498	3.534466667	neg	"{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl}oxidanesulfonic acid"	HMDB0127327	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			44.7	41.6	M-H2O-H	C21H18O12S	-4.060451443	39960.49445	41886.98365	40596.30258	40002.12926	37390.90635	40193.76466	41869.85524	37990.44504	38823.9728	39998.65452	44857.49968	38979.4415	39157.72854	43766.15234	37948.86637	41241.68738	40383.02537	43069.4779	41385.25468
3.80_190.0498m/z	190.0498216	3.80485	pos	"2-Oxo-1,2-dihydroquinoline-4-carboxylate"	71292	Unclassified	Unclassified	Unclassified			44.7	26.5	M+H	C10H7NO3	-0.25359578	3365.447534	3565.922342	3267.610193	2799.01349	2463.151148	3090.893359	2051.413225	6671.008089	5393.737409	3319.824085	2122.595736	7746.975611	2341.770954	1969.483387	4148.39686	2174.171017	2998.473562	2265.115163	2663.905884
4.14_245.0122m/z	245.0122093	4.140466667	neg	4-Vinylphenol sulfate	HMDB0062775	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			44.7	28.3	M+FA-H	C8H8O4S	-1.616207133	11208.24681	11421.34941	11840.95714	2260.128283	15751.98524	35822.03132	817.2186611	5105.967814	4174.598794	103997.7424	1026.968876	1436.5079	2481.317125	1526.350114	3398.005088	3069.042712	4321.957974	1795.283733	957.9861204
4.26_263.1025m/z	263.1025182	4.26365	pos	L-cis-Cyclo(aspartylphenylalanyl)	87613	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.7	28.8	M+H	C13H14N2O4	-0.439464254	1240.123345	1311.888135	1140.165634	486.2050098	1735.95812	2258.929873	372.542522	5081.422308	2399.22322	2105.185384	381.8935241	1732.373048	430.2942829	292.6986446	794.8799233	577.6561117	793.5253694	482.8148336	454.6233049
4.93_236.0923m/z	236.0923	4.9336	neg	Salsoline-1-carboxylate	HMDB0013067	Organoheterocyclic compounds	Tetrahydroisoquinolines	Unclassified			44.7	28.4	M-H	C12H15NO4	-2.241683154	28140.04093	30817.45923	30658.41548	32419.68068	24629.17164	40916.61344	23913.73463	31823.0474	23627.46571	25856.86176	23443.08026	37036.61012	30551.15168	26295.90564	33383.80743	22893.01041	34387.91347	32272.74391	54386.66437
9.54_502.2925m/z	502.2924889	9.537783333	pos	"PE(0:0/20:4(8Z,11Z,14Z,17Z))"	LMGP02050052	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		44.7	28.2	M+H	C25H44NO7P	-0.652153645	26158.93583	23996.52838	25131.4056	24847.394	24275.09677	24600.43868	24250.08134	25280.92757	26570.92114	25546.46851	28886.36979	20599.83464	27158.45712	24784.13978	27928.67605	27708.12041	26794.61265	26513.23662	24403.33606
1.14_309.1092m/z	309.1092479	1.13945	neg	Phenylacetylglutamine	HMDB0006344	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C04148	44.6	26.4	M+FA-H	C13H16N2O4	0.144113312	5884.709877	7182.85458	7260.745361	5133.993594	10306.6439	7989.207474	10579.09992	4708.980125	3371.845565	10648.72981	8592.491489	2427.74062	8312.829117	8745.546763	8382.112747	8654.199652	8261.595365	5224.442525	9046.072371
1.28_161.0443m/z	161.0442657	1.278416667	neg	3-Hydroxymethylglutaric acid	HMDB0000355	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C03761	44.6	33.5	M-H	C6H10O5	-7.90632755	45626.69266	49686.1963	49861.71633	32825.72662	74465.28919	25353.4852	38124.31132	210566.1314	57186.10971	23784.41126	30159.96581	44682.24103	45713.03484	35363.94214	30714.627	27230.24511	29797.16324	37979.55565	42038.57084
1.46_182.0448m/z	182.0448177	1.4621	neg	4-Pyridoxic acid	HMDB0000017	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	***	C00847	44.6	32.9	M-H	C8H9NO4	-5.810652345	2358.805121	2375.786322	2357.304769	1509.891941	5280.36891	3630.833783	1165.901615	3643.105378	2750.972085	4057.047621	956.5447222	1683.667492	2539.393527	2098.101757	1740.137576	1201.554939	1750.295134	1482.622965	3085.527156
1.65_290.1343m/z	290.1343396	1.651983333	pos	Ophthalmic acid	HMDB0005765	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.6	29.7	M+H	C11H19N3O6	-1.11430699	7123.179654	8375.778535	7789.565853	6094.236308	12086.18318	20053.56721	5127.386098	4458.186718	4427.399601	15402.71799	4792.05195	4383.067116	6584.164636	5219.547338	8204.884464	7054.883029	8863.008211	7052.925167	5935.658708
10.88_327.2312m/z	327.231157	10.88211667	pos	(±)4-HDoHE	36439	Unclassified	Unclassified	Unclassified			44.6	30	M+H-H2O	C22H32O3	-2.032389625	18925.76974	15725.68517	18211.97258	16711.6659	13481.40486	19646.04993	16405.31981	32986.3493	15566.775	19467.83651	16506.78353	23078.06953	11766.8972	11282.65938	17578.35362	21454.21006	18099.69483	26165.8049	25144.27202
15.50_205.1581m/z	205.1581268	15.5042	pos	Isokobusone	HMDB0036791	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			44.6	31.6	M+H-H2O	C14H22O2	-2.542674315	1486.223551	1469.638707	1815.613937	1628.037271	1209.339397	1984.224754	1940.771555	2008.955056	1226.755728	1911.035263	1980.743705	1704.549226	2159.795353	1403.985583	2359.137717	1587.585638	1478.654116	2134.808364	1870.080677
15.72_227.1637m/z	227.1636509	15.71671667	pos	Riesling acetal	HMDB0037562	Organoheterocyclic compounds	Tetrahydrofurans	Unclassified			44.6	33.9	M+H	C13H22O3	-2.299798955	7195.074678	8753.721538	7833.238106	8591.657032	8803.109098	7377.173603	8045.330117	8130.402114	8936.214459	8637.050397	8645.454822	9413.896591	8211.43429	8602.184354	7774.933043	7922.469053	7949.362999	7893.715018	7212.856685
9.86_522.2586m/z	522.2586326	9.8569	pos	"PE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)"	LMGP02050027	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			44.6	29.4	M+Na	C25H42NO7P	-0.956094279	5991.62474	5702.600385	5841.782002	7208.144265	6476.297774	6930.249034	6701.20241	952.5955473	1416.899732	5733.357516	5393.160752	622.9724099	12098.32963	12294.72999	7447.865363	5996.914838	5621.662474	6042.296336	14383.25882
1.44_127.0503m/z	127.0503243	1.438566667	pos	Thymine	290	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C00178	44.5	26.1	M+H	C5H6N2O2	0.955650635	5677.635456	6003.99072	6083.171968	6672.335551	4113.086472	4924.903555	5046.589217	4965.876435	6152.983449	4588.948673	5211.320822	9006.841609	6412.495202	7616.942936	7487.877856	7030.972595	6004.5933	6386.706166	8249.880434
2.31_295.1286m/z	295.1285699	2.3126	pos	L-gamma-Glutamyl-beta-phenyl-beta-L-alanine	93191	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.5	27.9	M+H	C14H18N2O5	-0.946016686	16507.96165	17115.5888	17065.64206	11152.92035	23052.65839	13345.85717	28171.69689	6837.666779	7557.077127	22036.01988	17083.59963	5856.371583	23021.71466	27901.81424	23243.23463	20913.83179	22534.96232	11520.54801	22353.59836
3.18_231.1468n	232.1541141	3.17525	pos	Isobutyryl carnitine	34492	Unclassified	Unclassified	Unclassified			44.5	26.1	"M+H, M+Na"	C11H21NO4	-0.953951623	30045.51295	31591.9101	30644.21469	21947.82164	32544.11051	35718.9238	36669.20731	22073.33001	24940.21831	35938.60948	32531.93604	27061.87255	32521.13786	28378.69133	30444.00088	26864.2482	37476.33636	24797.64265	27798.69306
4.00_341.0875m/z	341.0875277	3.997416667	neg	"3,4,5-trihydroxy-6-{[3-(3-hydroxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid"	HMDB0124983	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			44.5	27.3	M-H	C15H18O9	-0.812836277	470.718957	421.4433105	409.6822205	0.000297236	567.1624213	3768.258088	0.000297236	0.000297236	0.000297236	3372.503573	5.835218516	39.23862324	53.21210737	0.000297236	0.000297236	59.73183347	47.51171983	0.000297236	9.142170327
4.23_271.0473m/z	271.0472578	4.225533333	neg	Fukiic acid	HMDB0029496	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified			44.5	31.9	M-H	C11H12O8	4.840549078	1241.929798	1322.330116	1123.636364	747.4697193	1960.318844	975.3527472	854.4311682	2198.751897	2112.075966	1235.851612	756.3676146	2283.190747	803.136795	813.6126728	1554.442195	726.5067388	890.5325748	557.8501889	1548.869016
10.83_874.5603m/z	874.5603427	10.82751667	neg	"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))"	HMDB0008730	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C00157	44.4	50.9	M+FA-H	C48H80NO8P	-0.018437213	928500.2639	827981.6544	999076.1595	1032347.973	917430.9106	785569.4939	1033129.932	803365.3957	964829.0245	997473.7685	1022541.824	249670.9498	951163.2437	986135.0568	1034342.707	1035672.43	947925.8588	1041553.63	948765.9813
12.04_812.5800m/z	812.5800136	12.03886667	neg	"PC(o-16:0/20:4(8Z,11Z,14Z,17Z))"	HMDB0013407	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		44.4	28.8	M+FA-H	C44H82NO7P	-1.406831953	1299710.024	1497040.23	1324788.785	1279329.738	1109629.39	1185248.624	1315815.893	1280505.825	1186436.406	1246486.869	1413346.401	1771833.419	1365809.499	1278591.787	1119405.301	688868.153	902664.8506	1409097.701	1625409.046
4.06_192.0653m/z	192.065327	4.0574	pos	5-Hydroxyindoleacetic acid	HMDB0000763	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives	***	C05635	44.4	28.1	M+H	C10H9NO3	-1.00788664	1309.314452	1092.122347	1481.549781	1054.41591	1498.71662	1486.780955	1216.790485	959.5777371	1242.827754	1457.064934	938.9141503	1075.808944	1109.32715	1317.035328	858.527556	665.4587541	911.0806061	870.8260362	1105.368156
6.71_338.2320m/z	338.2319589	6.706716667	pos	Oryzalide A	HMDB0037591	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		44.4	27.2	M+NH4	C19H28O4	-1.954958758	6022.878499	6614.530614	6241.070431	6928.706424	4822.220799	6992.621633	7017.469163	2961.036652	5404.144841	6598.917243	8684.088521	10072.83752	7418.262104	7120.622456	5962.090666	6407.526548	6261.860001	7408.595351	7611.958719
9.11_294.1831n	293.1758409	9.111633333	neg	Tanacetol A	HMDB0035722	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		44.4	24.3	"M-H, M+FA-H, 2M-H"	C17H26O4	0.027394149	276579.0522	318546.1998	273431.2806	221392.6351	328612.3258	205414.2797	322452.1623	342879.3696	388865.3893	354858.0036	343373.2442	210224.7445	214868.7235	322323.1066	347962.1571	302129.6471	204625.5177	219517.7149	237700.3442
1.06_282.1191m/z	282.1190743	1.062216667	pos	2'-O-Methyladenosine	HMDB0004326	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified		C04779	44.3	35.8	M+H	C11H15N5O4	-2.156206132	57341.77591	61545.6976	54634.34766	67249.51755	56888.98898	49064.56013	55065.61962	59941.57166	68403.83743	42571.19466	40711.24077	101314.9027	37459.76553	40941.52214	76083.92405	66525.77853	59238.51309	54998.64655	54590.92545
12.59_808.5494m/z	808.5493965	12.58548333	neg	"PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-16:0)"	HMDB0008521	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		44.3	42.9	M+FA-H	C44H78NO7P	-0.519755679	2899679.349	2799858.694	2109594.93	2393860.147	3022162.665	2369229.189	3149439.118	2802204.269	2638321.854	3120855.938	2261946.265	1087359.856	1710127.867	2540910.895	2508186.237	3590338.198	3248243.061	2655149.151	2169820.195
15.55_155.0691n	156.0764231	15.54558333	pos	L-2-Amino-3-(1-pyrazolyl)propanoic acid	HMDB0034267	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.3	31.5	"M+H-H2O, M+H"	C6H9N3O2	-2.384187922	35758.75402	37101.71013	39562.03287	41236.70672	33991.26898	35902.95168	36650.65996	37940.81882	39935.01214	39513.18687	35372.95449	41610.79657	35276.40439	35508.16191	37326.37679	43622.69524	38094.67764	39012.0963	34862.6878
15.85_419.3148m/z	419.314779	15.85248333	pos	Hexadecyl ferulate	HMDB0039317	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			44.3	33.2	M+H	C26H42O4	-1.929871721	77712.09375	73434.83821	71958.99324	72305.19275	80287.26876	77401.02855	89401.70011	80419.39708	80110.70695	77720.38744	91643.16648	75691.31444	83391.73644	74390.14467	82060.83231	76163.63682	74393.20645	77852.35167	75182.88148
4.06_268.1519m/z	268.1518826	4.0574	pos	Isovalerylcarnitine	LMFA07070076	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		44.3	26	M+Na	C12H23NO4	-0.188910324	8505.729474	8523.969991	9017.258315	10784.83311	10006.3031	10241.87395	10382.73545	19724.6346	16550.69768	12497.81952	10414.30192	11924.09362	8585.846094	7934.287651	8871.488308	7281.915988	9351.177955	8217.38915	9285.605575
6.22_230.1747m/z	230.174673	6.2211	pos	(+)-cucurbic acid	LMFA02020013	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	*		44.3	33.3	M+NH4	C12H20O3	-1.871529485	3181.038877	3054.674113	2884.433194	2795.069446	3277.214638	2238.502978	3163.079515	3668.047001	2808.591212	3495.896203	2780.559337	2695.840765	3388.48267	2391.393135	2637.907885	2645.257222	2682.223328	2527.79259	3173.261298
9.25_209.1533m/z	209.1533231	9.2497	pos	"4,5-Dihydrovomifoliol"	HMDB0040615	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		44.3	28.8	M+H-H2O	C13H22O3	-1.252270499	8056.782662	7814.572462	7766.626067	8078.048371	7907.803755	8586.243574	8490.014644	8032.157675	7932.120442	8388.995893	8892.530977	7980.659204	7364.301429	8322.040382	8483.836588	8398.24085	7852.071005	7562.671251	7981.304915
9.54_244.2035n	227.2001674	9.537783333	pos	11-hydroxy-tetradecanoic acid	LMFA01050174	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			44.3	31.7	"M+H-H2O, M+H"	C14H28O3	-1.593384724	9700.78027	9131.609759	9057.966726	6913.161184	10476.8776	14163.57183	7320.5301	6008.52096	6092.387073	7383.67507	6954.558304	5587.255601	24192.87208	12279.03628	9490.27522	7239.982051	7745.118744	7300.171873	8803.522802
0.80_173.0918m/z	173.0918446	0.798133333	pos	Glycylproline	4185	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.2	26.1	M+H	C7H12N2O3	-1.302435274	60643.00652	68472.93716	59502.30417	54109.5561	71456.2919	70565.58679	63670.90717	54298.39359	40182.64902	77125.62682	60924.8766	42575.11455	71468.9178	67977.97811	69277.2938	59581.61633	60915.70476	60232.55867	70142.32978
0.88_356.0989m/z	356.0989491	0.877566667	neg	Dhurrin	HMDB0060471	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C05143	44.2	30	M+FA-H	C14H17NO7	0.785544786	6166.369239	6095.561388	5555.929413	8048.429986	5316.656378	13958.20417	3524.043432	5168.101496	7055.194081	7618.309114	6811.297045	5981.515119	6219.044903	3965.960844	3291.522401	4402.827239	3382.614659	3537.113306	5437.927874
10.44_291.1601m/z	291.1601236	10.44475	neg	Botrydial	LMPR0103640001	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids			44.2	27.4	M-H2O-H	C17H26O5	-0.190968048	7422.35132	7888.298928	7577.111289	7849.86844	7847.230674	7659.429492	7670.214507	8001.910735	8478.512435	8426.745071	8806.056737	6763.847756	7411.961947	7176.868857	7329.891835	7811.572222	7139.886469	7578.096617	7927.494137
2.35_217.1186m/z	217.1186152	2.35245	neg	Serylisoleucine	HMDB0029042	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			44.2	30.3	M-H	C9H18N2O4	-3.509231554	959.4152532	917.8528474	984.4866508	645.1183475	1603.749346	956.9236828	1635.166262	287.7411497	319.0244307	1503.803242	971.8794888	291.8606534	1366.974794	1373.739754	1338.141392	1029.272413	1125.458693	648.6753184	1171.909047
4.10_192.1052m/z	192.1051608	4.098233333	pos	Trihomomethionine	64500	Unclassified	Unclassified	Unclassified			44.2	28.3	M+H	C8H17NO2S	-0.603792211	3113.598567	2419.107075	2608.114729	1997.860208	2875.05018	1449.448781	2073.385562	5638.229187	3878.427914	1890.036638	2398.300205	3019.978362	2246.045361	2881.2544	2822.850919	1660.197939	2405.973199	1645.257131	2436.392273
5.46_217.1074m/z	217.1073591	5.464283333	neg	3-caproyl propionic acid	LMFA01060023	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			44.2	29.4	M+FA-H	C9H16O3	-4.579343968	290.5201771	365.3039793	375.4523106	172.5135509	589.9930923	158.4497467	284.0052091	1374.629566	994.9654818	162.4404833	281.5288507	423.2911496	203.346147	311.5486594	226.5300686	132.6093324	239.2083815	322.6643757	164.1814333
6.44_215.1882n	238.1773126	6.440783333	pos	12-amino-dodecanoic acid	35924	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			44.2	24.5	"M+H, M+Na"	C12H25NO2	-1.320671694	15261.80999	14025.249	14851.0669	15380.70063	14457.04276	12963.10832	15715.75568	17797.20491	14179.84268	17815.29619	15284.04057	15413.05767	16489.69759	14942.8717	14793.66496	14807.63156	18995.70288	14678.36375	17744.08794
1.08_205.0344m/z	205.0344434	1.081483333	neg	Methylisocitric acid	HMDB0006471	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	**	C04593	44.1	29.3	M-H	C7H10O7	-4.527195465	43397.45399	45365.92076	45809.53967	49006.64496	73265.47619	44691.68148	36459.90455	49383.76595	21763.1813	43137.12849	37616.31997	52088.49383	41482.47284	41484.70663	42486.14094	44123.51462	48865.53453	47686.42529	48033.97779
10.61_429.2997m/z	429.2996879	10.61115	pos	"1,25-Dihydroxy-24-oxo-16-ene-vitamin D3"	42534	Lipids and lipid-like molecules	Sterol Lipids	Secosteroids			44.1	26.4	M+H	C27H40O4	-0.579659615	5055.524521	5234.159373	4788.186053	5179.758249	6414.36695	5964.391521	2545.788131	3495.149623	1646.29579	6282.390796	4203.206247	1522.191151	4372.405038	4820.095221	6300.110305	7061.797923	5999.06946	7886.73612	5036.824196
10.64_453.2854n	452.2781665	10.63623333	neg	LysoPE(0:0/16:0)	HMDB0011473	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		44.1	21.6	"M-H, 2M-H"	C21H44NO7P	-0.212809736	950919.8156	933841.6771	942053.7196	1082463.887	1078424.563	1114312.353	1041663.911	603625.0931	827777.3512	901617.8243	896695.6406	900610.8117	1410521.621	1210015.615	931533.6479	971035.4745	1028206.892	983483.0773	1250966.07
10.69_358.3671m/z	358.3670817	10.69353333	pos	Behenic acid	HMDB0000944	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C08281	44.1	27.6	M+NH4	C22H44O2	-2.569555986	76140.62711	70357.95048	77972.70547	75413.86855	73538.88435	66393.17782	70619.69299	77178.71865	66843.84891	68853.43151	77821.93486	69444.34616	68640.51173	69328.10863	71078.73001	74189.07427	76014.04085	87650.59533	68208.03529
3.53_407.0447m/z	407.0447246	3.534466667	neg	Daucic acid	HMDB0031665	Organic acids and derivatives	Hydroxy acids and derivatives	Beta hydroxy acids and derivatives			44.1	32.5	2M-H	C7H8O7	-4.911580742	71659.40349	75534.60124	75895.6728	75315.70969	71768.78977	73849.87828	81010.26851	68171.73096	69971.48665	77110.86872	82857.27796	70634.6526	71369.71981	81134.45432	73189.44382	78076.99122	77041.52983	82327.84689	74599.6638
3.64_197.1286m/z	197.128582	3.640166667	pos	L-alpha-Amino-1H-pyrrole-1-hexanoic acid	95039	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	*		44.1	26.7	M+H	C10H16N2O2	0.651584026	1647.151718	1730.785088	1140.572645	731.2570265	2310.961866	5886.086521	288.4414906	608.7161124	589.636099	6683.37194	189.67863	1374.47496	418.967889	307.5597454	1023.177941	1084.818732	1593.738984	1167.660351	242.6620555
3.72_286.0027m/z	286.0026543	3.721766667	neg	Indole-3-carboxilic acid-O-sulphate	HMDB0060002	Organoheterocyclic compounds	Indoles and derivatives	Indolecarboxylic acids and derivatives			44.1	29.9	M+FA-H	C9H7NO5S	-0.173749816	1960.218921	2093.416536	2123.070816	1550.782946	2132.288114	11361.92763	502.684791	415.1265011	390.6302217	7413.41351	889.4676723	526.377521	526.4980154	364.6792043	1625.73948	572.2421451	2011.690739	902.3545795	517.0210433
4.00_316.1749m/z	316.1748716	3.9952	pos	"3,7,8,15-Scirpenetetrol"	HMDB0037560	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		44.1	26.3	M+NH4	C15H22O6	-1.986826334	11361.03929	13207.26459	10698.66536	6893.381666	11656.8405	23079.22972	5158.258355	37874.62281	24105.98828	13848.4977	6770.683613	8681.402408	6685.800865	6431.69956	8026.049865	8110.276946	7703.825388	8252.343433	6581.188978
5.10_343.1396m/z	343.1395829	5.103283333	neg	Toxin T2 tetrol	HMDB0036159	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		44.1	25.1	M+FA-H	C15H22O6	-0.866668732	3730.01486	4887.525296	4130.126431	4235.380911	5111.181406	4179.642874	4110.186399	3409.683357	3346.937669	4401.804694	4190.099865	3696.347259	4118.195633	4126.187437	3897.206745	4717.578757	3864.535773	4275.208206	3653.844184
6.14_415.1973m/z	415.1973493	6.135233333	neg	"(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside"	HMDB0036822	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		44.1	26.2	M+FA-H	C19H30O7	-0.018557767	2582.534599	3111.176159	3097.582836	2526.7929	4157.681816	1765.25635	2791.623962	2042.482282	2135.174934	2077.602541	1556.084858	2620.745724	2857.406539	3774.638646	2993.371832	2468.622449	2192.59473	1518.334905	3390.661837
7.23_329.2333m/z	329.2332558	7.229816667	neg	"9,10,13-TriHOME"	HMDB0004710	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C14835	44.1	28.7	M-H	C18H34O5	-0.278308725	12818.5123	18834.98815	14972.11995	5814.480348	8572.911054	5564.631047	6298.950618	6801.134111	4750.930343	3985.187404	4924.481099	10704.94767	6718.152933	4719.963439	6362.996161	5695.558698	4416.429064	6110.810271	3686.842864
0.35_148.0888n	149.095992	0.346016667	pos	ANETHOLE	43903	Benzenoids	Phenol ethers	Anisoles			44	28.1	"M+H-H2O, M+H"	C10H12O	-0.129430406	90682.07226	77493.47183	85999.09018	85876.17699	81333.28621	89691.24901	89356.31285	89708.76187	84578.01989	87070.48523	91495.29884	77921.47196	77751.10816	75471.1388	78899.70863	79442.51629	75063.9232	88180.5759	79172.10916
0.44_241.2158m/z	241.2158179	0.439416667	pos	Auberganol	94270	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		44	28.3	M+H	C15H28O2	-1.617913315	57396.96466	51565.90806	54676.15744	56334.58573	54378.23545	57864.77239	57471.94461	59708.00138	54150.39449	57650.04102	55130.56364	51565.04858	54454.59205	53794.55848	57535.91158	58727.16678	55830.97249	58836.3048	53243.30647
1.55_261.1574n	262.1646878	1.554083333	pos	3-hydroxyisovalerylcarnitine	LMFA07070041	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		44	24.6	"M+H, M+Na"	C12H23NO5	-0.809735447	264236.5953	261299.4431	258980.1067	289706.7949	232085.3741	245086.1411	333234.1761	346698.1922	382269.7909	258332.3453	287890.9719	287168.9852	205520.4744	230602.0861	234402.347	239014.0364	226618.7117	221168.5044	224258.1107
10.42_498.3545m/z	498.354544	10.42206667	pos	1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoethanolamine	LMGP02060021	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			44	30.2	M+H	C24H52NO7P	-1.753497264	4966.8637	3918.472054	5125.014765	6863.193365	4919.896169	5855.369829	6553.441022	2957.937485	5111.287049	5304.107871	5949.194903	4975.2731	6824.977305	5305.731786	5981.621292	6619.917075	5655.561163	6849.32293	7698.518322
10.83_528.3095m/z	528.309544	10.82751667	neg	"PE(22:4(7Z,10Z,13Z,16Z)/0:0)"	LMGP02050014	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			44	23.4	M-H	C27H48NO7P	-0.036018577	62058.80091	60366.08606	65164.66754	56609.57486	61080.09333	53271.17788	59492.32885	53503.53783	75453.83392	40622.08746	59501.60133	103642.4156	68625.83728	66884.18318	62197.74589	63229.73791	64823.62499	64708.5983	62642.34524
13.42_582.5100m/z	582.5099943	13.42078333	neg	Cer(d16:1/18:0)	LMSP02010046	Lipids and lipid-like molecules	Sphingolipids	Ceramides			44	23.4	M+FA-H	C34H67NO3	-0.564797018	177601.9068	99347.41664	176738.3608	171711.1745	184447.5019	240177.9235	218037.9012	171299.5013	173795.8948	132304.3832	140466.3508	196491.2323	219571.0051	313913.5707	207325.3436	215149.1248	170592.6156	175497.3291	159286.2
15.82_113.0961m/z	113.096146	15.81501667	pos	3-Hydroxyheptan-2-one	LMFA12000021	Unclassified	Unclassified	Unclassified			44	28.1	M+H-H2O	C7H14O2	0.419375449	19272.44193	22646.45447	18883.13643	19732.62917	19204.05169	19304.21839	21074.44358	19856.2456	19224.0492	19598.17291	21154.77432	22489.39816	22196.74535	20931.49175	21418.72214	22052.47236	20158.91846	19844.02117	18345.52041
4.10_273.0073m/z	273.0073445	4.09935	neg	Ferulic acid 4-sulfate	HMDB0029200	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			44	29.4	M-H	C10H10O7S	-0.374935222	1021.56285	861.0922558	828.8996179	536.3211112	1773.438929	2899.26263	467.9388372	487.2753023	433.5018155	2620.175454	229.7435535	450.1974439	434.4159832	258.8066731	801.6494941	240.3775011	597.8731463	315.9331409	397.507121
4.31_288.1704m/z	288.1704483	4.306116667	pos	Zolmitriptan	HMDB0014460	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives		C07218	44	23.7	M+H	C16H21N3O2	-0.714102534	4726.477796	5369.791867	5319.916739	6925.687817	2454.992874	3886.867207	1783.519955	3749.737966	2632.369674	1715.320339	4794.000627	9825.711724	3715.002134	3085.739361	7906.595319	5638.232816	3881.968272	12550.3445	10788.02812
5.27_345.1705m/z	345.1705486	5.271183333	neg	Adrenosterone	HMDB0006772	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	**	C05285	44	23.6	M+FA-H	C19H24O3	-0.662558044	297.8062304	307.0234662	380.7394791	98.86372755	78.67587442	0.000297236	0.000297236	3556.634166	382.8952617	0.000297236	0.000297236	1078.380554	259.9628634	266.4221349	164.9666443	58.30345745	152.3377854	160.1443242	202.3406792
6.60_361.2020m/z	361.2020467	6.6046	neg	all-trans-4-hydroxyretinoic acid	LMPR01090025	Lipids and lipid-like molecules	Prenol lipids	Retinoids	**	C16677	44	23.7	M+FA-H	C20H28O3	-0.00307443	5465.367048	6257.844326	5070.760508	7231.66027	3176.312401	9531.722402	7821.547588	4442.40693	2952.829602	4203.854122	10280.63505	7984.712763	4544.730343	5129.215238	6271.514088	5615.205726	6059.392621	6978.222122	4021.274706
0.38_267.2679m/z	267.2679211	0.3825	pos	Stearic acid	HMDB0000827	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C01530	43.9	25.3	M+H-H2O	C18H36O2	-1.129437936	5075.574354	3467.440574	4435.100914	3989.053763	3645.57841	4291.444874	4360.786346	3481.742398	4841.771704	4264.459721	4139.946927	3875.612133	4557.768868	3732.834148	3896.362853	3670.445982	3612.568277	4617.65098	4446.41972
0.42_184.1461n	185.1533788	0.418316667	pos	(Z)-3-Methyl-3-decenoic acid	87382	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		43.9	25.4	"M+H-H2O, M+H"	C11H20O2	-1.231918501	85281.51632	86235.80739	83054.43983	85057.02195	81609.44783	86071.26133	84516.82611	88725.7296	81680.40855	85491.81905	87030.40676	86458.02348	85637.4139	85947.75065	87944.38016	90150.9546	84817.55252	93054.52577	81665.93009
0.44_150.0680n	151.075213	0.439416667	pos	1-Phenylethyl formate	92538	Benzenoids	Benzene and substituted derivatives	Benzyloxycarbonyls			43.9	26.4	"M+H-H2O, M+H"	C9H10O2	-0.605306125	73639.43686	65183.279	65022.50199	68698.07084	63731.46013	69440.69412	68428.51025	72925.91361	70997.37227	72253.97412	72248.77513	64923.65968	64705.46146	64921.04674	67606.25002	67253.46758	63588.51409	69418.38762	63387.54099
0.62_216.1347m/z	216.1346604	0.623133333	neg	beta-Alanyl-L-lysine	HMDB0060442	Organic acids and derivatives	Peptidomimetics	Hybrid peptides	**	C05341	43.9	27.5	M-H	C9H19N3O3	-3.245177297	3649.338342	3980.924535	3662.791389	7004.446565	7725.857429	4786.951311	4792.157606	5317.689493	2033.699158	4101.846571	4761.503584	3717.827175	2101.538781	3083.621059	4292.936418	3354.083115	3862.808529	3381.854108	3184.976569
0.80_219.0973m/z	219.0972923	0.798133333	pos	5-L-Glutamyl-L-alanine	58376	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C03740	43.9	27.2	M+H	C8H14N2O5	-1.172581955	48608.16432	52600.06061	44021.61468	37600.11676	60316.19084	51905.69986	42613.66987	47905.75025	44983.46563	67355.30314	38006.52467	56196.47896	45225.76404	53396.13326	52571.87844	48745.08692	49681.26756	36972.22998	46351.41688
1.08_213.1231m/z	213.1230727	1.079266667	pos	Hydroxyprolyl-Valine	HMDB0028876	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			43.9	24.6	M+H-H2O	C10H18N2O4	-1.286609365	237479.2004	246229.1854	227125.9705	217707.2544	283430.8359	294819.5598	206463.1037	259166.028	159290.2872	301534.2993	211080.082	149389.7982	191565.0072	207342.334	248959.2841	249433.1699	247833.5253	239121.9141	236303.4516
10.93_524.3357m/z	524.3356739	10.93288333	neg	PC(P-16:0/0:0)	LMGP01070006	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		43.9	23.9	M+FA-H	C24H50NO6P	-0.216792762	78326.4192	65384.49121	75347.44944	76092.78657	97616.47396	110724.8825	84676.01149	96439.7006	95030.81834	89530.16744	84933.70226	81965.09313	85562.3597	82965.43676	78718.24	78408.02116	82855.03389	79696.26542	80178.08139
11.21_644.3751m/z	644.3751474	11.21088333	pos	PI(20:1(11Z)/0:0)	LMGP06050019	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			43.9	29.9	M+NH4	C29H55O12P	-2.86097839	20466.88517	17793.72866	21703.04621	24709.23582	17699.08444	12756.20015	17902.16632	14681.77374	22601.9208	11942.55712	20443.886	35840.1623	20025.54139	25676.89927	16250.63713	20563.76706	18112.56802	17550.75274	23439.72521
11.54_634.4512m/z	634.4511718	11.54288333	pos	Nonoxynol-9	HMDB0015680	Organic oxygen compounds	Organooxygen compounds	Ethers			43.9	38	M+NH4	C33H60O10	-2.111911914	614.4403113	944.9692402	772.8640058	850.3869647	0.000297236	0.000297236	3448.687288	921.594417	1364.120135	0.000297236	1674.419357	0.000297236	577.8536088	11930.73093	1353.734201	421.7751416	10219.04374	2994.914016	2963.794695
15.74_241.2157m/z	241.215694	15.73598333	pos	Cryptomeridiol	71855	Unclassified	Unclassified	Unclassified			43.9	31.8	M+H	C15H28O2	-2.133756136	8051.870101	8644.467448	7819.390097	9256.629312	9350.084543	9119.723733	8718.497867	8216.112743	9296.948691	8420.023629	9107.581546	8192.324028	8872.110803	8528.201359	8716.341572	8103.786783	8549.521641	8823.645313	7953.339992
2.49_227.1023m/z	227.1022962	2.488916667	pos	Glutamylproline	HMDB0028827	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			43.9	26.1	M+H-H2O	C10H16N2O5	-1.381084122	4258.059887	4382.636441	4198.895003	5073.122348	4224.210903	3998.210653	4363.704192	3895.021224	3700.13026	3231.408508	3689.186247	5417.433871	4838.623038	4175.630565	4284.576695	4126.439733	3633.015709	3630.326758	5607.763355
2.76_436.3418m/z	436.3417788	2.763916667	pos	24-northornasterol A	LMST01010320	Lipids and lipid-like molecules	Sterol Lipids	Sterols			43.9	29.3	M+NH4	C26H42O4	-0.852291179	10722.99808	7943.466858	9823.787221	9300.647906	8906.673189	8678.417212	9099.765946	11251.06328	11447.04795	9312.513259	10160.11228	8767.055398	7541.89644	7741.363502	9669.106889	10784.69711	5861.019088	8923.440714	9314.426764
3.54_159.0915m/z	159.091527	3.538083333	pos	Nicotyrine	68165	Unclassified	Unclassified	Unclassified			43.9	22.6	M+H	C10H10N2	-0.934795965	27052.50455	27544.99383	27337.58832	26697.7907	26156.15547	26870.16629	25168.43808	20058.11154	19458.6548	25970.09239	25285.47682	28058.25097	28762.0162	30704.23059	30791.468	26798.90467	28555.70588	29557.54512	31874.7874
5.98_288.2165m/z	288.2164571	5.980433333	pos	(±)-Octanoylcarnitine	85173	Unclassified	Unclassified	Unclassified			43.9	28.5	M+H	C15H29NO4	-1.663373506	2652.043758	3200.536944	3308.069955	2749.958703	3212.861034	3791.207157	4058.826273	1883.704672	2760.215692	3120.114717	3839.204038	2801.487065	2408.854921	2216.154483	3752.110173	3830.619186	3743.655901	2972.000116	3055.213249
1.44_251.0783m/z	251.078327	1.44135	neg	Deoxyinosine	3383	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Purine 2'-deoxyribonucleosides	**	C05512	43.8	24.3	M-H	C10H12N4O4	-0.997387781	4462.169885	4553.891459	4369.22699	4071.386594	3463.149733	2796.28717	4536.634148	3830.290808	6398.825308	3155.510154	4655.621169	6183.05127	4046.894602	3981.902571	4883.861717	4512.904281	3478.710706	3960.181555	4852.152222
10.24_470.3248m/z	470.3247591	10.23813333	pos	O-arachidonoylcarnitine	LMFA07070088	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		43.8	25.1	M+Na	C27H45NO4	1.519013783	19356.67709	22335.86146	20573.46695	18779.98475	17086.89198	34383.07699	16282.90537	27377.78447	28266.86796	23919.93481	20535.30715	26404.2	32225.95441	26183.98357	15660.29587	19208.39708	21645.62485	22304.73969	23659.88872
10.53_280.2032n	281.2105217	10.52578333	pos	3-Methyl-5-propyl-2-furannonanoic acid	HMDB0094642	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		43.8	25.7	"M+H, M+Na, M+H-H2O"	C17H28O3	-2.139483048	19070.82634	18320.627	18590.4544	34326.72077	12286.83752	24679.14905	17486.10666	5446.969848	4753.082445	11389.33689	17084.5721	17977.19332	19371.4043	17733.10248	27406.60738	19982.15407	26635.56895	32072.85538	23378.17201
2.12_261.0549m/z	261.0549014	2.119316667	neg	Bisnorbiotin	HMDB0004821	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C20384	43.8	26.3	M+FA-H	C8H12N2O3S	-0.762336866	2300.684299	2173.038968	2269.085415	575.7350913	991.4301069	1351.131093	648.7775941	7799.589961	11043.6063	1000.407216	581.6650595	4972.309707	1615.930443	1096.055072	1042.814123	797.0531728	1291.410975	1075.971402	1576.491331
4.04_295.1649m/z	295.1648764	4.0375	pos	Tyrosyl-Leucine	HMDB0029109	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		43.8	24.5	M+H	C15H22N2O4	-1.21444927	1270.716545	1528.746329	1403.910641	1436.746748	1907.808147	1343.842991	1644.505408	457.0269991	981.6319047	1316.890915	1204.539748	0.000297236	1709.10175	850.2667079	219.2616387	119.2861448	1396.060155	435.7343641	1167.169911
9.41_228.1955m/z	228.1954847	9.41445	pos	11-tridecynoic acid	LMFA01030604	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			43.8	30.3	M+NH4	C13H22O2	-1.526398291	30201.9183	28874.9825	28953.77594	29661.09971	28575.46787	28890.37686	29448.57399	29687.88549	29036.97424	30109.95778	30269.05962	30325.63634	31722.12794	29345.59713	31779.19359	30909.55253	30868.1256	30633.37082	27993.5339
0.44_137.0596m/z	137.0595525	0.439416667	pos	3-Vinylcatechol	66573	Unclassified	Unclassified	Unclassified			43.7	22.3	M+H	C8H8O2	-1.127507738	141089.141	122896.8232	129989.217	133201.4865	129366.5292	141511.2082	140389.9014	147291.84	141035.0532	142999.0823	144007.4215	123878.0519	123574.9869	121560.8826	130743.4507	131934.7711	125411.7297	139045.6637	124795.5361
0.73_249.1553m/z	249.1553288	0.729216667	pos	Asparaginyl-Valine	HMDB0028744	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			43.7	31.2	M+NH4	C9H17N3O4	-1.742834586	608727.9702	594206.8401	597835.5152	557469.6134	489941.764	502542.9694	627883.3061	802489.4001	856362.536	548259.22	623339.9082	725897.7259	649043.698	633871.6097	511679.9256	588597.9857	649403.369	512366.126	557354.1743
0.76_259.0223m/z	259.022321	0.764266667	neg	Beta-D-Fructose 6-phosphate	HMDB0003971	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C05345	43.7	23.2	M-H	C6H13O9P	-0.466013016	306171.0724	360911.6922	351791.9146	246481.1557	372441.629	287564.9567	404314.7932	246054.4391	261346.9808	360286.2006	341386.9376	234384.9827	322478.6149	333143.0191	337275.9933	312998.2162	334368.5708	246722.2761	282132.3216
0.76_275.0885m/z	275.0884918	0.764266667	neg	"(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid"	HMDB0039110	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			43.7	22	M+FA-H	C9H14N2O5	0.075320895	41900.10185	41555.27439	41187.06705	29715.01903	43439.44682	44733.52256	48722.33805	42547.07797	49615.39544	60507.37063	40131.34287	44509.82516	42079.93058	46219.69937	44801.56057	37927.18083	43380.58884	27448.77613	47739.89916
0.78_363.0575n	364.064769	0.781033333	pos	Guanosine 3'-phosphate	63402	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified	**	C06193	43.7	25.8	"M+H, M+Na"	C10H14N5O8P	-1.395136453	109406.9811	103874.0427	90204.90828	56983.44772	123361.9935	102934.527	118666.2328	97868.36012	93842.55622	119915.2049	93286.70468	123292.1508	110461.082	97787.82145	101828.7918	103377.4867	98743.30872	71078.4678	86517.67992
10.82_255.2313m/z	255.2313257	10.81821667	pos	(E)-3-Hexadecenoic acid	89535	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		43.7	32.6	M+H	C16H30O2	-2.088619959	3250.06085	3428.399406	3412.614793	3113.080575	3779.710815	3362.29941	2994.788996	2927.34636	3820.18004	3925.056171	3431.968747	3728.259449	3325.417707	2756.645351	3692.077567	3051.53327	3020.436964	3335.675445	3827.032779
11.19_390.2649m/z	390.2648949	11.1889	neg	N-Arachidonoyl-L-Serine	44904	Unclassified	Unclassified	Unclassified			43.7	23.8	M-H	C23H37NO4	-0.22316072	2920.735641	2491.055412	2504.193413	3618.908419	2350.517394	3448.315651	2042.586086	3888.953939	4244.139961	2767.407286	2760.99318	5610.825234	2603.860483	2342.599436	2823.765296	3424.274012	3119.015399	4109.065259	2813.570846
12.60_719.5688m/z	719.5687924	12.6034	pos	PE(16:1(9Z)/P-18:0)	HMDB0008983	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	**	C00350	43.7	35.2	M+NH4	C39H76NO7P	-1.387711423	345324.5542	242582.1301	376407.7361	344429.6826	436866.2547	434225.2178	533367.7571	439162.1564	521439.9863	664111.2569	610596.3463	526628.1787	528215.2454	798655.1501	556590.7221	523102.4096	474227.0187	448544.9713	407617.1318
15.76_101.0600m/z	101.0599642	15.75651667	pos	Allyl acetic acid	34698	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		43.7	22.9	M+H	C5H8O2	2.58131248	42399.17709	47098.50651	42112.84616	46280.60861	46147.71624	43279.84453	45038.20889	43567.39243	42805.27145	43262.12699	46326.81577	48050.81904	46067.67611	44142.6326	45938.07982	46005.38673	43746.65476	42885.29548	43201.22047
2.25_288.1452m/z	288.1452448	2.24635	neg	O-adipoylcarnitine	LMFA07070087	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		43.7	22.1	M-H	C13H23NO6	-0.05607064	6916.282841	7241.530835	6943.482279	4262.360405	9019.61895	14852.87116	3374.926225	26472.44575	20683.00082	8792.669235	3905.444022	4467.495065	4378.901221	3955.549344	3554.664131	3615.617461	3675.447619	3789.05314	4395.64283
3.64_146.1174m/z	146.1174491	3.640166667	pos	Acetylcholine	57	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	**	C01996	43.7	22.8	M+H	C7H15NO2	-0.73054371	15153.46623	16187.33989	14200.11383	18054.58649	12002.54269	19737.27005	20221.28705	9412.130422	6770.385458	14982.12062	15031.13247	9727.670893	22206.18231	17600.21866	15821.13837	13053.61342	17169.04936	14844.02362	23729.01375
3.70_261.0072m/z	261.0072498	3.70115	neg	2-hydroxy-3-[4-(sulfooxy)phenyl]propanoic acid	HMDB0132291	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			43.7	24.5	M-H	C9H10O7S	-0.753470711	4860.516718	4740.08928	4946.82299	4284.094506	6388.207761	3158.690833	4622.035727	15181.65971	9558.243739	3060.2801	3033.996517	7517.6191	4429.923671	3608.924521	4145.885137	2332.727566	3527.638801	2810.747331	4085.267992
5.34_270.1695m/z	270.1694702	5.3404	pos	3alpha-Hydroxyoreadone	HMDB0036047	Organoheterocyclic compounds	Naphthofurans	Unclassified			43.7	25.5	M+NH4	C14H20O4	-2.040547355	1247.436533	1052.593758	1034.099204	351.408414	1143.504138	6118.494965	89.60138808	243.5428845	0.000297236	6396.928082	124.389347	239.3110977	277.8938881	243.6483931	816.2200548	240.3374143	503.9902634	338.3392651	364.3251705
7.33_246.1518m/z	246.1518388	7.33245	pos	S-3-oxodecanoyl cysteamine	HMDB0059773	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl thioesters	*		43.7	24.8	M+H	C12H23NO2S	-1.580974825	46333.06024	56476.26621	51158.11791	25442.34238	59326.15806	42680.44612	51055.90684	63351.80879	105625.5344	47644.15506	33641.42516	49824.63298	63400.92861	69455.06746	42179.60349	48240.26245	47182.79831	21917.64563	32222.3835
0.31_183.1741m/z	183.1741256	0.30925	pos	"(Z,Z)-3,6-Dodecadien-1-ol"	HMDB0031102	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		43.6	24.7	M+H	C12H22O	-1.186404966	42319.9155	39266.43321	39598.44984	41242.77738	39402.22968	41763.01887	43016.15503	42397.3446	40698.52201	42295.5656	41840.89216	38112.44906	38989.733	38012.64433	43375.63446	41632.83241	40188.94711	43543.46635	40115.22369
1.18_276.0174m/z	276.0173955	1.1797	neg	DOPA sulfate	HMDB0002028	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			43.6	28.6	M-H	C9H11NO7S	-3.432156378	130995.9591	116396.8425	122403.7286	131756.3725	118693.7306	119934.8925	127506.018	114208.3141	109561.6684	121427.2214	126498.2822	117938.8628	131992.8906	122124.6034	126164.2444	128481.9668	123494.2039	134483.6658	127145.8977
1.63_258.0850n	259.0922405	1.6338	pos	3-Methyluridine	7077	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Unclassified			43.6	22.5	"M+H, M+Na"	C10H14N2O6	-0.860422523	9400.837353	9045.588755	8719.485161	11150.67212	7169.460846	6563.054356	7840.075732	7311.209666	12497.6891	6484.602362	7950.756268	14651.6083	7723.119969	9371.110914	9575.146818	8545.858056	7569.551953	8670.506265	9611.102277
1.78_360.1412m/z	360.1412301	1.781066667	neg	2-(Arabinosylamino)-3-(glucosylamino)propanenitrile	HMDB0039505	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			43.6	25.9	M-H2O-H	C14H25N3O9	-0.021619568	474.5353246	391.9090171	498.5635649	0.000297236	63.78407347	47.68601117	114.2579814	3706.729128	2691.849705	59.51483953	0.000297236	1369.132403	48.81346311	0.000297236	0.000297236	95.63186754	0.000297236	0.000297236	0.000297236
10.22_286.3098m/z	286.3098395	10.2175	pos	Spisulosine	53932	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			43.6	25	M+H	C18H39NO	-2.10952309	10131.96391	11103.60885	10165.11089	8422.717695	9534.653375	8759.316886	8551.596	8482.306531	8064.637902	7869.887968	8777.103137	8313.617685	8897.829212	8272.392526	7515.875007	8417.091556	8498.451192	9144.69685	8660.962539
10.63_313.2729m/z	313.272871	10.63191667	pos	18-oxo-nonadecanoic acid	LMFA01060129	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			43.6	27.6	M+H	C19H36O3	-2.723423185	4677.275125	4987.478885	5112.434868	5365.002719	5181.751536	5285.191008	5566.976588	3303.481745	3618.938839	3915.792614	4386.214736	3857.242848	5961.643503	6061.794723	4965.203529	5496.014382	4804.700558	5024.273304	5924.24365
11.08_462.2990m/z	462.2989593	11.08343333	neg	1-(2-methoxy-6Z-heptadecenyl)-sn-glycero-3-phosphoethanolamine	LMGP02060019	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			43.6	22.9	M-H2O-H	C23H48NO7P	-0.081217453	81855.61222	67032.73525	75155.08476	67912.67807	100604.0224	92960.32247	83171.39474	128060.5776	128127.7895	73118.2902	69414.97834	119372.9903	86401.09786	84610.21882	88297.82315	87642.98223	88457.18482	79453.63453	75618.00614
3.53_429.1541m/z	429.1540654	3.534466667	neg	Kinetin	HMDB0012245	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives		C08272	43.6	27.8	2M-H	C10H9N5O	-0.181312712	152179.4343	146751.658	160173.069	160419.423	150409.657	152095.7307	158449.3957	104976.3448	102851.4218	158343.9879	145396.062	148922.6599	161858.4403	177985.0829	160254.748	146964.2745	183781.85	179485.9881	219211.0451
6.24_454.2270m/z	454.226961	6.243066667	neg	Lipoxin E4	LMFA03040006	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			43.6	26.4	M-H	C23H37NO6S	0.172576681	9187.334521	7117.325475	8369.136693	4668.307131	6192.716175	11090.61204	4635.896168	5217.688183	1997.81858	11954.72111	4583.341003	2936.5487	20763.09607	9342.028786	7739.52274	5690.705781	11247.78849	3922.705159	9558.924359
6.35_255.1235m/z	255.1234956	6.347283333	neg	2-furan-octanoic acid	LMFA01150037	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			43.6	22.1	M+FA-H	C12H18O3	-1.435957559	2336.073344	2408.705131	2409.565664	2572.747186	3270.2061	1546.792791	2492.924935	4067.293062	2703.804971	2175.837999	4347.25421	2377.821313	2800.676323	3599.276314	3036.294163	4404.769079	1875.819231	2688.299683	3094.629649
8.20_353.2333m/z	353.233278	8.204966667	neg	Prostaglandin F2a	HMDB0001139	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C00639	43.6	23	M-H	C20H34O5	-0.196861067	10440.34256	10946.04091	11993.93187	14830.62585	7886.084593	14357.93037	11099.77786	4900.551529	3303.518579	7136.419525	7621.701922	12310.5666	8306.932796	9801.922571	12676.97779	10108.04959	13156.62996	16299.60317	12674.45099
0.70_291.1295m/z	291.129452	0.695266667	pos	N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine	93983	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			43.5	25.7	M+H	C10H18N4O6	-1.581149008	160702.824	191932.8278	122800.8958	192209.088	118853.269	172296.8213	108801.033	141506.6038	173091.501	168645.0684	148799.2479	218785.9785	139331.4414	138686.9206	141532.0247	178369.4336	138426.549	191395.4564	182875.5808
0.70_304.0437m/z	304.0437041	0.695333333	neg	Glucosamine 6-phosphate	HMDB0001254	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00352	43.5	25.1	M+FA-H	C6H14NO8P	-0.779221572	34049.8758	40907.51502	38218.36345	21109.55512	93538.41369	35203.9493	54345.64979	11857.23851	16650.05838	59340.98583	45602.10501	15641.39831	42648.83689	36978.508	49797.21039	37538.88881	37728.83955	29855.5065	41399.54393
0.76_144.1018m/z	144.1017568	0.764	pos	xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one	HMDB0033629	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			43.5	20.1	M+NH4	C7H10O2	-1.176503152	110345.5964	106172.9075	107534.7441	33978.12095	354403.8168	450358.6283	23701.89854	21923.70367	24638.56559	333591.812	20961.35645	29298.83406	46971.78327	48404.60797	43580.56451	26092.7897	33257.66525	32397.05039	31902.55765
10.03_412.2818m/z	412.2817879	10.02715	pos	PA(P-16:0/0:0)	LMGP10070003	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates			43.5	23.2	M+NH4	C19H39O6P	-1.174963223	8978.951434	8958.074848	9169.777651	11510.64322	8663.104517	8377.581126	11020.41725	4829.769682	9936.73077	6905.324851	10314.99003	10346.33549	14098.039	15140.80885	7491.549938	6551.795696	7119.806955	5958.964499	14443.8999
10.68_1035.6630m/z	1035.663032	10.67961667	neg	GM4(d18:1/16:0)	LMSP0601AA01	Lipids and lipid-like molecules	Sphingolipids	Acidic glycosphingolipids			43.5	26.6	M+FA-H	C51H94N2O16	4.536905139	376038.2174	349089.8954	388931.6635	410653.9643	428216.3339	486287.8476	497382.4218	241719.256	358109.7615	335780.1183	377029.3034	430664.3471	562362.4462	518810.7707	434971.5747	465824.5913	447709.9491	408252.0021	518051.1316
10.93_333.2070m/z	333.2069658	10.93288333	neg	"15-deoxy-δ-12,14-PGD2"	36122	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		43.5	26.8	M-H	C20H30O4	-0.500435731	3846.961935	6496.689684	6052.483671	2068.243536	4874.147909	955.3512538	3052.514619	237.2553469	321.136377	1629.881606	3525.219663	862.3276559	2486.431913	1760.638708	2480.128337	3436.492059	1830.806071	1690.818821	1958.233984
4.93_376.1381n	421.13652	4.9336	neg	"(1x,2x)-Guaiacylglycerol 3-glucoside"	HMDB0040600	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		43.5	26.2	"M-H, M+FA-H"	C16H24O10	3.01502349	3910.231278	4118.76566	4397.195865	5277.445763	3140.220885	4188.58463	3465.928329	3191.006099	3134.22322	3225.745232	4737.803741	4155.865497	4245.035335	3517.471883	4391.925713	4177.498297	4917.024758	5116.390362	4630.769581
5.92_201.1123m/z	201.1122649	5.920616667	neg	2-Ethylsuberic acid	HMDB0059708	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		43.5	26.4	M-H	C10H18O4	-4.787951767	4876.981856	5241.805605	5172.795211	3887.626307	5105.874004	7794.401111	4028.506625	9976.138597	6384.797433	7438.806063	3798.982661	3987.763901	5203.130416	4089.559009	3656.182575	4415.153872	4306.163117	3921.460374	4430.664287
0.76_221.0898n	244.0788305	0.764	pos	N-Acetylmannosamine	HMDB0001129	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00645	43.4	22	"M+H-H2O, M+Na, M+K"	C8H15NO6	-0.708597995	232914.2368	217969.6227	208227.3056	224638.0997	184434.9565	187972.9938	189935.3595	233015.6008	211728.2929	191815.529	192010.2233	298356.3901	223954.0693	229738.2496	248772.2893	227266.9094	219852.5885	253775.091	255753.1767
0.80_226.0820m/z	226.0820042	0.798133333	pos	ANCITABINE	44413	Unclassified	Unclassified	Unclassified			43.4	22.5	M+H	C9H11N3O4	-1.01325052	37796.19388	40670.32255	36828.75285	41651.02682	40661.40524	33599.51501	39362.11964	23448.34713	31804.92996	33775.94619	42732.92623	41518.12934	39730.10638	41154.20188	49092.10711	45188.40748	44136.54823	39586.78289	43454.35709
1.08_123.0552m/z	123.0552167	1.079266667	pos	Niacinamide	HMDB0001406	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	***	C00153	43.4	24.4	M+H	C6H6N2O	-0.594401184	3965995.901	4224939.641	3854673.685	4373292.785	3777914.535	4177367.357	3709777.382	3196618.462	3429836.368	4445640.861	3749973.947	3716993.394	3992380.729	4306478.955	4328174.405	4164869.41	4008628.764	4123295.719	4044639.734
1.82_433.1227m/z	433.1227442	1.822516667	neg	Sulfinpyrazone sulfide	HMDB0060943	Organosulfur compounds	Thioethers	Aryl thioethers			43.4	28.8	M+FA-H	C23H20N2O2S	-0.019474346	12118.53642	12977.09674	11139.80828	10135.02183	13006.51076	9927.944925	13088.47895	20606.67742	18132.41657	9084.885457	12466.40936	18328.74883	9935.397524	11306.69837	9710.236802	10325.46311	10942.76518	10220.81473	10278.49505
10.04_542.2524m/z	542.2524283	10.04158333	neg	"PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)"	LMGP03050027	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			43.4	23.8	M-H	C26H42NO9P	-0.02551966	8387.307401	8089.115411	7704.192797	11171.47434	10537.3543	8839.566113	10247.96109	2779.151018	3291.609696	13098.39006	12132.99949	3403.587268	14269.01033	15013.13848	8975.060012	10020.29601	8113.770585	9985.662413	18913.12945
10.36_200.2005m/z	200.2005334	10.36063333	pos	"3Z,6Z-Dodecadien-1-ol"	LMFA05000163	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			43.4	20.9	M+NH4	C12H22O	-1.962275273	29905.14997	33923.50369	31813.97325	27890.60872	38207.48427	23561.62469	42865.09269	37544.07717	35508.30861	33369.32169	28642.01115	31679.21875	23163.96859	40688.76938	40179.58208	35673.615	30346.77674	30279.52609	35123.49503
10.44_526.2938m/z	526.2937515	10.44475	neg	"LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))"	HMDB0011494	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		43.4	23.6	M-H	C27H46NO7P	-0.306264566	71140.77014	68902.21743	71981.81995	74645.21924	93239.29348	73124.93098	72650.08154	50076.96059	90841.62645	61517.369	69741.55606	100594.032	101391.8433	82711.82296	73680.70651	68973.31658	74074.43529	73438.74523	81763.646
10.61_523.3634n	546.3545828	10.61115	pos	PC(O-16:0/2:0)	LMGP01020046	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			43.4	19.7	"M+H-H2O, M+Na"	C26H54NO7P	-0.654616178	343862.6044	371178.5598	345295.0586	393687.6165	437005.1128	349740.955	408209.9321	282606.9041	375303.9857	312094.082	341725.7893	457631.4664	501709.2418	459457.5418	476838.4347	405158.094	446751.1706	374230.8267	488920.8268
12.83_270.2785m/z	270.278471	12.8272	pos	"2,6,8,12-Tetramethyl-2,4-tridecadien-1-ol"	LMFA05000170	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			43.4	23.2	M+NH4	C17H32O	-2.656667549	300981.6388	203165.2911	278454.8228	284959.5504	273499.1084	279443.3501	285249.1683	292755.7447	287662.5339	293358.867	292306.4426	222594.2562	246594.5947	234836.0136	249967.8568	265537.351	271789.1877	284242.859	270701.744
4.52_325.0564m/z	325.0563818	4.5199	neg	Theogallin	HMDB0039287	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			43.4	20.2	M-H2O-H	C14H16O10	-0.359656254	10411.74711	10327.06091	9982.321716	10459.3085	11039.88735	10645.74906	10378.41757	10352.46634	10857.90298	10412.34388	11848.57028	10342.19378	10020.42149	10642.25667	10159.93555	10681.33901	10128.76795	11234.64255	10462.09438
6.24_315.1332m/z	315.1332475	6.24025	pos	(S)-Annocherine A	HMDB0038723	Organoheterocyclic compounds	Isoquinolines and derivatives	Benzylisoquinolines			43.4	24.9	M+NH4	C17H15NO4	-2.309125182	1840.6514	1756.555107	1503.532997	1181.652125	3894.557804	1930.702124	1316.115843	950.7867261	1193.696678	2816.31298	1124.61031	2132.097819	991.0886193	864.7169211	1684.991968	1984.120657	1345.312597	2219.370905	2134.536217
6.54_255.2314m/z	255.2313858	6.5431	pos	7-palmitoleic acid	34743	Unclassified	Unclassified	Unclassified			43.4	23.8	M+H	C16H30O2	-1.851957606	5493.911709	5197.722731	5659.477077	5812.341389	5341.472961	5638.329472	5584.636068	5576.626496	5665.470448	6072.041721	6040.532289	5256.630546	5789.319348	5431.909829	5808.43094	5573.317721	5819.287956	5807.45345	5651.646771
0.44_111.0443m/z	111.0442793	0.439416667	pos	5-Methyl-2-furaldehyde	68856	Unclassified	Unclassified	Unclassified			43.3	24.9	M+H	C6H6O2	2.030804431	53686.20475	43883.67067	42572.03278	43535.92789	42309.47722	46274.96221	47875.90431	59111.49901	57045.8561	52985.0934	53858.29079	44006.25838	42066.33275	42615.60779	44410.92485	44345.89537	42046.89755	45752.14556	40846.61776
0.87_318.1194m/z	318.1194112	0.870166667	pos	"4-{hydroxy[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]methylidene}cyclohexa-2,5-dien-1-one"	HMDB0125177	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			43.3	23.4	M+NH4	C13H16O8	3.559510556	94342.69434	96418.13139	91580.37574	86169.15408	78318.73399	93307.27879	86998.09689	89434.89587	66375.50113	93669.14173	75686.10267	101782.8773	87450.09348	72553.45294	71809.96548	60410.60264	81985.54159	82843.16074	143357.6098
1.34_370.1367m/z	370.1366507	1.336933333	neg	Glucopyranosylmoranoline	HMDB0059718	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			43.3	23.2	M+FA-H	C12H23NO9	3.587687139	37708.52217	49660.48725	54944.19107	34598.87237	41510.34533	40714.46674	39117.29167	119162.3331	70306.31185	30135.01415	36475.85616	39377.68444	33610.9627	42421.7567	39480.92452	34837.26515	39613.12636	32757.69546	52871.62643
10.91_496.2681m/z	496.2680601	10.9122	neg	1-(2-methoxy-13-methyl-6Z-tetradecenyl)-sn-glycero-3-phosphoserine	LMGP03060006	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			43.3	19.3	M-H	C22H44NO9P	-0.064557888	135731.3974	124668.5622	140038.571	161318.9842	158338.998	179416.52	133336.2435	91144.75446	106869.9375	172357.8252	147987.9462	111402.4687	149381.7457	111791.9704	134750.3932	152662.7049	175037.0011	167821.0246	187627.5843
11.19_328.0981m/z	328.098092	11.1889	neg	"1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine"	HMDB0041063	Organoheterocyclic compounds	Quinolines and derivatives	Benzoquinolines			43.3	25	M-H2O-H	C21H17NO4	0.504364768	5837.18428	6649.734413	7197.452152	5853.876776	8717.815407	5772.546942	6264.620705	8036.945068	9520.210565	5190.351604	6346.442447	6231.134082	5903.117339	6659.960704	6010.698253	5151.172649	5656.808957	5552.229896	7100.604447
11.29_452.3126m/z	452.3125631	11.2942	pos	PC(O-14:1(1E)/0:0)	40397	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			43.3	25.6	M+H	C22H46NO6P	-2.189656231	10403.85244	11373.81627	10778.66907	11081.82002	10136.65745	9512.331388	12554.77254	12243.93253	11515.59009	7813.096728	10627.59605	17176.39359	10592.32707	10197.95831	12938.10203	13760.62096	13290.53104	12072.46822	9366.214103
3.66_302.1607m/z	302.1606515	3.65935	neg	2-Hexenoylcarnitine	LMFA07070031	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		43.3	21.5	M+FA-H	C13H23NO4	-1.009383457	2771.307628	2733.410198	3020.17666	673.2558689	3003.772295	4601.326936	992.8548976	15900.61799	8357.475321	1890.194854	828.0181702	4763.192631	1136.041471	492.2209116	481.5024177	586.9161341	644.7702178	844.2237765	1063.150272
4.08_253.0463m/z	253.0463219	4.078183333	neg	5-Carboxy-2'-deoxyuridine	HMDB0060774	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides			43.3	22.5	M-H2O-H	C10H12N2O7	-1.057677991	396.9471239	288.4014565	376.1668257	269.7326288	657.1793919	1529.921389	32.59708807	277.3845109	0.000297236	759.4979793	198.6542943	348.0157905	34.37651764	50.21422202	293.3863619	385.6042818	306.2173289	486.5209967	227.099649
4.60_202.1203n	225.1093794	4.595183333	pos	Sebacic acid	4240	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates		C08277	43.3	21.4	"M+H, M+Na"	C10H18O4	-1.144014093	19040.47088	20663.177	19749.62645	11707.25762	16514.68344	29032.19217	12657.32114	27845.98132	38907.93473	27200.88366	16418.70052	25358.21599	16278.12229	20858.72541	17371.78442	11620.71419	15371.33164	14523.20401	14263.15303
0.42_148.0391m/z	148.0391313	0.418316667	pos	Agrocybin	87007	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acid derivatives			43.2	26.3	M+H	C8H5NO2	-1.180465135	18600.33034	14793.18258	14896.53328	17849.61313	15895.08635	19789.58452	18905.36911	18672.67874	17362.55624	18206.77267	16772.0656	15945.04661	14747.42137	15260.80823	16320.04497	18130.55639	17627.60146	16964.97532	18040.33466
0.50_226.1929n	249.1845422	0.49665	pos	Myristoleic acid	LMFA01030051	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C08322	43.2	22.7	"M+H, M+Na"	C14H26O2	-1.743484808	108245.9324	101474.6482	102008.8171	106247.6265	100380.3195	110576.5415	109332.2319	111873.1112	103190.7071	114044.0284	112329.0219	96103.10283	101812.4559	101564.8486	107981.7284	107684.3062	101397.5917	111971.7871	101966.5574
1.03_348.0470n	349.0542415	1.026666667	pos	Inosine 5'-monophosphate (IMP)	3490	Unclassified	Unclassified	Unclassified			43.2	21.3	"M+H, M+Na"	C10H13N4O8P	-0.387887511	37138.94402	41795.84065	38714.6373	17543.02008	52456.52042	47623.32677	56448.57571	32648.31168	32439.09593	71651.72575	31913.54103	36080.51826	47817.24911	33082.05471	39715.97808	35080.82742	40921.93334	18326.21752	26713.48946
1.06_152.0332n	153.0404528	1.062216667	pos	Oxypurinol	HMDB0000786	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives		C07599	43.2	24.1	"M+H, M+NH4"	C5H4N4O2	-1.638153329	421070.5546	420632.6906	433860.7748	339134.0417	420289.5622	437352.3622	345792.63	387869.0123	354912.2216	396441.7103	354469.6082	549732.1482	396882.9121	407784.8107	506192.0813	479410.9712	509243.5697	433782.7155	500563.7387
1.08_363.1544m/z	363.1544011	1.079266667	pos	N-(1-Deoxy-1-fructosyl)tryptophan	HMDB0037847	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives			43.2	25	M+H-H2O	C18H24N2O7	-1.740640264	66815.33888	83015.39613	48577.72552	81964.69276	74375.90099	73385.17469	59306.14215	60835.68001	56177.23282	61137.59498	66693.99772	60569.80823	71081.20112	111066.6222	94313.9502	78047.55829	68524.29888	67873.00276	105438.6576
1.48_220.0846n	221.0919132	1.4757	pos	N-Hydroxy-L-tryptophan	73314	Unclassified	Unclassified	Unclassified			43.2	21.4	"M+H-H2O, M+H"	C11H12N2O3	-0.762780204	12950.94778	12733.54214	13159.84823	15122.01944	10981.47877	12732.0377	9726.098895	12496.93319	10333.53448	12121.55538	10806.27185	17958.79295	10894.68659	9929.391386	13357.46705	13079.58265	12859.06922	16936.06916	17000.8033
10.36_265.2157m/z	265.2156889	10.36063333	pos	"12-hydroxy-8E,10E-heptadecadienoic acid"	LMFA01050194	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			43.2	23.6	M+H-H2O	C17H30O3	-1.83433938	5159.280428	4313.281878	4907.079031	7928.44872	3467.488393	5528.053237	4511.03023	4790.323631	2283.251764	3735.250915	4098.104984	3960.934919	4326.113777	5033.193078	5505.913988	5143.794495	5385.701736	7043.01712	4786.392197
10.53_522.2822m/z	522.282169	10.52578333	pos	"PS(18:2(9Z,12Z)/0:0)"	LMGP03050011	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			43.2	22.9	M+H	C24H44NO9P	-0.913282175	21983.27953	20859.37073	21754.03407	24019.66871	17030.86976	20668.1305	21956.28734	23197.38555	27018.02069	21168.10581	23530.84778	33280.22213	23353.57395	20713.28165	25153.02417	26708.82706	27215.81802	30386.72588	30101.56182
2.98_252.0723m/z	252.0723302	2.979516667	pos	Acetyl citrate	HMDB0059808	Organic acids and derivatives	Carboxylic acids and derivatives	Tetracarboxylic acids and derivatives			43.2	23.8	M+NH4	C8H10O8	4.005113466	5808.091681	6173.289711	5672.483347	3895.130484	5071.336676	10025.53323	3525.51034	5417.436105	6903.208932	8234.941287	4950.779189	3955.048284	5184.074326	6557.179421	5186.195822	4536.413759	4941.654845	4512.538242	6284.589819
3.76_342.0875m/z	342.0875311	3.764833333	neg	5'-Methylthioadenosine	HMDB0001173	"Nucleosides, nucleotides, and analogues"	5'-deoxyribonucleosides	5'-deoxy-5'-thionucleosides	***	C00170	43.2	22.7	M+FA-H	C11H15N5O3S	-0.781291109	6832.092418	7137.318325	6538.58067	8531.769903	5748.569945	8065.230603	8957.898299	10475.63957	10491.04691	6587.371023	8517.266691	6592.983039	5963.62436	5681.834265	5827.149516	4433.213308	5723.013974	7041.803662	8020.836574
4.14_230.1029m/z	230.1028593	4.140466667	neg	2-Hepteneoylglycine	HMDB0094728	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			43.2	23.3	M+FA-H	C9H15NO3	-2.900579365	1669.94391	1983.428197	1856.00293	1327.819688	1910.09394	1361.101489	1376.25763	6329.146007	3144.307768	1025.556185	1077.019284	2246.953136	1431.002729	1503.874267	1238.325769	988.9462159	1432.498531	1340.307908	1532.90226
4.31_245.1855m/z	245.1855133	4.306116667	pos	Leucyl-Leucine	HMDB0028933	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C11332	43.2	23.8	M+H	C12H24N2O3	-1.866614826	3682.567872	3667.725012	3404.684357	3350.677463	4430.499919	4019.789397	4283.649631	2507.494535	1451.319798	4584.350496	2848.090429	2434.357403	4362.355192	4021.09804	4048.954458	3210.776897	4148.365561	3368.276207	5058.356646
4.85_206.0814m/z	206.0813869	4.85115	neg	2-Acetamido-4-methylphenyl acetate	HMDB0061682	Benzenoids	Phenol esters	Unclassified			43.2	23.8	M-H	C11H13NO3	-4.248999268	4078.046449	3909.774313	4412.460528	5929.604297	4314.378192	4887.698071	5121.865469	2795.037422	2580.516869	4051.042745	4299.078365	3082.80762	4712.61537	4573.722422	4762.214119	4583.711959	5040.759364	5330.850886	5532.698684
5.06_417.1190m/z	417.1189855	5.0602	neg	Equol 4'-O-glucuronide	HMDB0041731	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified			43.2	21.4	M-H	C21H22O9	-0.28791399	619.3262719	596.1672986	385.8590869	0.000297236	474.0057511	4139.390788	0.000297236	67.92429151	160.1438673	6588.062719	0.000297236	0.000297236	86.4851687	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
0.29_131.0702m/z	131.0702231	0.291416667	pos	(R)-mevalonate	HMDB0059629	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C00418	43.1	23	M+H-H2O	C6H12O4	-0.320570562	32526.2821	31973.39404	32445.22954	32432.59687	30194.35042	34305.61164	32434.60412	34627.01212	31595.79723	33451.79698	33232.80522	31023.83973	31700.4613	30327.64248	32485.50913	33414.59737	30463.81253	32635.77525	28700.40171
1.08_245.0766m/z	245.0765516	1.079266667	pos	L-beta-aspartyl-L-glutamic acid	HMDB0011164	Organic acids and derivatives	Peptidomimetics	Hybrid peptides			43.1	20.4	M+H-H2O	C9H14N2O7	-0.995826087	156312.0111	183936.8585	163706.3146	160055.9696	158663.5422	130930.6427	160638.7711	181973.474	276946.2202	141363.6263	163375.5564	219879.5656	146428.2658	155720.6566	167286.2103	146688.7235	135846.9635	140137.3209	150550.2217
1.40_193.1586m/z	193.158645	1.396783333	pos	"(R)-(E)-4,7-Megastigmadien-9-one"	91003	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		43.1	19.4	M+H	C13H20O	-0.242909499	39340.509	31759.91716	33295.25408	33897.0745	33410.78686	34702.19612	32563.40119	32865.01577	35022.72522	35884.2357	37949.04019	35040.00467	33899.50225	33165.67094	34810.39519	33999.6827	32939.65458	33648.06142	30150.20519
1.55_488.2348m/z	488.2347582	1.554083333	pos	Ac-Ser-Asp-Lys-Pro-OH	HMDB0062552	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			43.1	23.8	M+H	C20H33N5O9	-0.709841877	8624.54326	8749.932352	6917.58458	8014.569589	6006.148404	7304.871904	6463.360687	5803.297842	9880.770059	3224.913271	5633.260899	16731.8426	10444.5084	9402.37556	10358.57039	8154.982589	9048.613036	7865.968445	9639.715385
12.05_744.5527m/z	744.5527037	12.05466667	pos	"PE(14:0/22:2(13Z,16Z))"	LMGP02010420	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	**	C00350	43.1	31	M+H	C41H78NO8P	-1.449546186	486458.0507	678313.9136	418330.2691	455568.303	429821.3432	403647.0785	429751.6269	442121.6119	408238.4597	432567.34	434661.9026	558971.6103	256266.0587	293782.2476	408888.5214	669864.4955	171553.4859	305680.9757	377620.4928
3.62_472.1573m/z	472.1572941	3.619366667	pos	10-Formyldihydrofolate	HMDB0006485	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids		C03204	43.1	24.8	M+H	C20H21N7O7	-0.484641496	12468.82903	13547.04707	11996.75896	11284.60157	12695.59174	14731.50703	6324.173351	10655.84342	8780.766842	9225.947108	9012.41402	11758.56754	13258.57138	15424.12428	13301.31729	11627.70363	10395.82698	15519.03139	11839.40183
6.71_402.2845m/z	402.2845281	6.706716667	pos	Myriocin	LMSP01080020	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			43.1	21	M+H	C21H39NO6	-1.211978148	1499.463213	1422.869517	1458.733856	147.5884179	1216.352928	3647.867195	0.000297236	4291.177547	6281.544885	2595.710858	203.2274589	2683.743945	271.0524453	488.2148146	209.8562047	430.6877858	679.5694455	597.5189324	342.1726307
0.63_295.1499m/z	295.1498621	0.62635	pos	N-(1-Deoxy-1-fructosyl)proline	HMDB0038493	Organoheterocyclic compounds	Benzodioxanes	Phenylbenzodioxanes			43	17.9	M+NH4	C11H19NO7	-0.416220114	19873.30555	20780.34218	17694.33508	27978.01891	12292.39629	13471.27636	10539.09224	19296.67521	18098.96527	13950.58414	16608.12639	37269.59486	17016.24124	18196.12494	17481.98681	22621.39255	19399.75865	25086.57569	21541.91607
1.16_189.1233m/z	189.1233281	1.1594	pos	N-Alpha-acetyllysine	63102	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C12989	43	21.6	M+H	C8H16N2O3	-0.216646488	3879.57692	3027.930329	3818.133104	2642.263138	4585.220812	3769.708926	2654.053843	1739.310538	1558.238307	5560.380399	2707.166237	1225.921163	4711.634513	5971.42661	4692.125258	3574.01344	3883.839881	1769.983258	3090.397745
1.44_257.1131m/z	257.1131183	1.438566667	pos	"1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide"	62397	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C15497	43	24.2	M+H	C11H16N2O5	-0.311525453	1583.522232	2533.8885	2480.425683	1908.130813	1795.825212	2200.062932	1225.04709	2075.434386	1761.275618	3221.97378	1419.461241	2653.622646	2303.335039	2284.762552	2266.63412	1904.006325	1930.378623	2027.494579	2305.669985
10.95_297.2432m/z	297.2432291	10.9545	neg	"cis-9,10-Epoxystearic acid"	36008	Unclassified	Unclassified	Unclassified			43	23.6	M-H	C18H34O3	-0.970423277	21639.67148	22102.1708	21633.88689	11521.41168	18672.04554	17043.07185	12283.17577	13606.07859	19020.20918	11521.94566	13191.05823	15056.59444	16886.54208	11805.89077	13235.59228	13178.78978	12112.74808	11825.33217	11698.28517
2.49_160.0967m/z	160.0966779	2.488916667	pos	5-Acetamidovalerate	62836	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C03087	43	18.9	M+H	C7H13NO3	-0.891453645	9746.401381	10294.60686	9950.032661	1103.472411	2116.639326	2562.967906	792.6887603	29290.24034	73722.80059	2261.646688	1011.406788	38685.58466	1005.1341	1213.835491	1523.285371	673.9491291	2228.842673	2508.976942	971.4549531
2.58_438.1616m/z	438.161594	2.583916667	neg	6'-Apiosyllotaustralin	HMDB0034207	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			43	18.3	M+FA-H	C16H27NO10	-0.267004175	5393.236454	5389.815641	5550.03238	1054.43882	3608.318853	2452.536672	1671.393283	52240.15897	12507.92456	1276.707578	1461.25884	3941.495292	1188.642848	1399.617014	582.6973289	1287.365071	984.1179322	1532.662526	1491.954755
3.49_230.9963m/z	230.9962977	3.494566667	neg	2-[3-(sulfooxy)phenyl]acetic acid	HMDB0125163	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			43	22.6	M-H	C8H8O6S	-2.520922093	21534.2513	22187.72646	22785.88725	16578.0164	36986.61018	17818.21102	14333.7829	50399.9829	35479.96323	18367.66334	10953.84484	32637.25823	31389.68214	30495.16667	15522.47324	7186.128281	15981.89197	9166.355922	24061.53204
6.57_294.1347m/z	294.1347022	6.565933333	neg	2-Pentanamido-3-phenylpropanoic acid	HMDB0094646	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			43	19.2	M+FA-H	C14H19NO3	0.02341441	1333.270076	1568.545791	1433.953828	480.1057733	2302.288009	2048.306308	847.3237631	2539.503043	1966.279541	1295.810493	1070.969575	1395.918553	1346.461455	1175.232366	620.5753398	842.3075427	659.4260429	701.3906916	1494.141641
7.13_253.1409m/z	253.1409155	7.12905	pos	Talaromycin A	HMDB0030143	Organic oxygen compounds	Organooxygen compounds	Ethers			43	28.6	M+Na	C12H22O4	-0.496695132	2084.533073	2032.108891	2109.92441	2104.89642	2146.318535	2736.319855	2198.152382	1843.86835	2234.0629	2868.507889	2161.833149	2638.844183	1745.988871	1710.417075	1880.920028	1862.890602	2083.264135	1747.246352	1731.865567
9.96_338.3049m/z	338.3048867	9.963066667	pos	"7a,17-dimethyl-5b-Androstane-3a,17b-diol"	LMST02020100	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	*		43	22	M+NH4	C21H36O2	-1.465164126	2117.804472	2131.117795	2196.768458	1984.030587	2968.424153	4914.630233	1735.093152	1136.903964	845.1099265	1831.476821	2800.822126	1579.9808	3212.097309	1651.445969	2510.488653	2800.703757	2308.278886	3844.585098	3461.991598
0.70_169.0582m/z	169.0582056	0.695266667	pos	L-Glutamine	HMDB0000641	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00064	42.9	21.6	M+Na	C5H10N2O3	-1.076518881	25115.32968	28229.07174	32122.23424	34600.86489	22595.92389	27536.74665	30205.30402	17377.35361	18227.6523	23550.74715	27481.87916	32087.78068	48593.58507	26088.77299	66996.54754	52705.69106	35476.68204	36610.20236	40621.05311
0.71_397.0790m/z	397.0790294	0.712816667	neg	"3,4,5-trihydroxy-6-[(6-methyl-2-oxo-2H-chromen-3-yl)oxy]oxane-2-carboxylic acid"	HMDB0135539	Phenylpropanoids and polyketides	Coumarins and derivatives	Coumarin glycosides			42.9	28.3	M+FA-H	C16H16O9	3.96066741	215366.3921	197843.5988	196431.1931	269407.8932	181747.717	342210.0369	136747.5525	222958.6229	202412.5786	203081.3204	220655.4208	185511.0254	211880.706	152165.6344	171748.4218	223957.0682	123869.8749	208751.4631	128441.3542
0.76_195.0894n	196.0967091	0.764	pos	N-Acetyldopamine	HMDB0041943	Benzenoids	Phenols	Benzenediols			42.9	21.3	"M+H-H2O, M+H"	C10H13NO3	-0.91473346	46226.68467	48224.91361	47358.86942	9465.737586	16521.08811	3150.73037	4368.267843	3946.976595	445978.0612	3585.636007	6425.170424	373394.9644	6260.69231	1248.837813	5574.655784	3567.197077	4379.390986	3634.542498	4842.021892
0.78_183.0894n	166.0861354	0.781033333	pos	Normetanephrine	HMDB0000819	Benzenoids	Phenols	Methoxyphenols	**	C05589	42.9	19.2	"M+H-H2O, M+H"	C9H13NO3	-0.653464875	29800.36075	34007.6367	32465.20582	2743.199448	10953.60147	2781.988607	4231.979127	5109.798147	225152.3498	3937.921829	3023.293255	148570.0019	3591.051673	3740.614957	2453.180234	2659.332747	3817.820797	2991.787832	2902.161062
1.49_189.1233m/z	189.1232906	1.494983333	pos	Isoleucyl-Glycine	85813	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.9	16.7	M+H	C8H16N2O3	-0.41602485	21373.40998	24106.40221	22175.43711	11895.89787	33716.75282	13460.04332	33774.24679	4151.407474	4841.95102	30912.50389	18893.96501	6074.299121	34437.48849	36022.68142	35086.20127	28958.27246	30028.39053	13178.61882	29546.91229
10.72_307.2278m/z	307.2277552	10.72161667	neg	6-[3]-ladderane-1-hexanol	LMFA05000065	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			42.9	20.6	M+FA-H	C18H30O	-0.431742035	2297.58581	2097.202379	2082.770362	2216.5018	616.9381736	1137.580346	643.2160333	6828.565056	2018.414308	888.5431483	1048.0287	4890.992538	872.4345487	2102.496553	1747.913235	1737.527695	2409.926057	2541.019016	1196.572925
11.11_194.1667n	195.1740121	11.10751667	pos	"6,10-Dimethyl-5(E),9-undecadien-2-one"	98068	Lipids and lipid-like molecules	Fatty Acyls	Hydrocarbons			42.9	22	"M+H-H2O, M+H"	C13H22O	-1.813566279	29235.70337	37927.18729	29200.84083	28917.17651	29230.19654	27302.34999	26803.54562	25579.47877	32214.65699	27026.22632	30078.39818	32566.39726	26864.7535	25405.47871	28295.37056	27577.38447	25034.19752	28398.51133	27804.63043
15.76_183.1012m/z	183.101203	15.75651667	pos	"3-Carboxy-2,4,4-trimethyl-2-cyclohexenone"	2292	Unclassified	Unclassified	Unclassified			42.9	25.8	M+H	C10H14O3	-2.019534717	6920.042268	7344.92282	7114.882935	7598.833315	7447.699349	7346.858875	8156.786124	7423.322798	8097.968312	7583.428416	8092.342157	7301.995157	6856.845208	7110.737878	7498.695945	7595.029604	7393.136986	7474.895788	6790.568755
2.75_663.1584m/z	663.1584113	2.754933333	neg	Apigenin 7-(6''-malonylneohesperidoside)	LMPK12110386	Lipids and lipid-like molecules	Polyketides	Flavonoids			42.9	35	M-H	C30H32O17	2.617048222	6480.678047	6381.693859	5816.162934	9184.190201	4776.160227	7566.801604	9476.366796	5107.334744	6461.563663	7576.657391	8050.24965	5761.535052	8843.939267	6660.568223	5185.793697	5578.539937	4307.255139	7365.499657	5803.46177
4.31_743.3586m/z	743.3586067	4.309783333	neg	Biocytin	HMDB0003134	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C05552	42.9	30.4	2M-H	C16H28N4O4S	-0.496589806	2037.427598	2621.432319	1793.703568	1216.477545	2298.202814	3811.544445	3855.558491	600.224921	506.3724993	5420.793563	2394.456336	145.5851514	2658.622977	1106.567094	2374.185999	1168.011863	2809.675996	1091.072423	2469.624289
4.58_361.1390m/z	361.1390414	4.575416667	pos	Nitrendipine	HMDB0015187	Organoheterocyclic compounds	Pyridines and derivatives	Hydropyridines		C07713	42.9	20.6	M+H	C18H20N2O6	-1.031179185	2775.792062	2916.881152	2704.543939	1884.662183	5574.452192	2606.806841	2706.267218	1856.410238	1921.431437	3784.89968	1821.526195	2784.571575	1924.584349	1691.138562	3079.074454	3628.136028	2763.163631	3645.965624	3146.556664
5.29_201.0218m/z	201.0217842	5.289466667	neg	4-ethylphenylsulfate	HMDB0062551	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			42.9	25.4	M-H	C8H10O4S	-4.549894974	1039.078915	956.8538235	1098.649615	2030.267971	538.0594353	234.3126386	1324.053024	0.000297236	16.14006638	170.6760335	1076.723326	1930.279685	37.44425351	0.000297236	2145.850549	1980.308978	2890.11217	1467.925847	0.000297236
5.78_262.1069m/z	262.1068509	5.780433333	pos	ETHYL 1-BENZYL-3-HYDROXY- 2-OXO[5H]PYRROLE-4-CARBOXYLATE	44535	Unclassified	Unclassified	Unclassified			42.9	22.6	M+H	C14H15NO4	-2.043362147	2645.573523	2653.560561	2945.690961	3350.77837	2124.063083	2155.268055	893.4118719	2513.637649	2616.962858	1482.679638	2579.492542	3653.13752	1633.314848	1622.832213	2317.828111	2870.02912	2325.681675	4436.961191	3457.304468
6.46_513.2757n	514.2829419	6.46085	pos	Sulfoglycolithocholate(2-)	HMDB0062801	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		42.9	23.7	"M+H, M+NH4, M+Na"	C26H43NO7S	-0.697991888	27313.03341	26605.17698	23315.93188	5145.659086	12142.4488	15836.05346	6691.523736	51720.30195	191515.505	18186.7353	5883.398806	48060.65838	4473.080582	6721.370997	19256.97341	3878.138382	11209.21213	10605.73696	4363.04094
8.83_407.2803m/z	407.2802734	8.834516667	neg	Allocholic acid	5491	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*	C17737	42.9	21.2	M-H	C24H40O5	-0.060204426	3251.895146	3048.203605	3221.472134	2863.619739	1884.383472	1203.330496	1372.562586	0.000297236	581.5636549	7098.633703	8235.586609	49.30913351	1197.341607	1540.358532	5434.110757	1275.351025	4956.435713	5574.392476	2486.038802
1.22_310.0587m/z	310.0587071	1.219283333	pos	3-[3-hydroxy-5-methoxy-4-(sulfooxy)phenyl]propanoic acid	HMDB0128005	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			42.8	27.4	M+NH4	C10H12O8S	-1.392975833	20554.57208	18198.0185	17951.61297	17661.97277	23967.41479	32104.69305	26835.71275	9197.529922	6453.495939	24612.19271	17783.04365	6148.711202	26669.64994	24362.60682	20624.28743	16654.75332	19036.67758	10796.29689	19593.69568
1.44_261.1444m/z	261.1443754	1.438566667	pos	Glu Leu	44684	Unclassified	Unclassified	Unclassified			42.8	19.3	M+H	C11H20N2O5	-0.471809663	13550.15023	13683.0833	13517.81003	9180.939993	16604.63293	10419.1791	17518.44381	4891.030228	4678.39731	18769.12197	10592.81203	6118.323855	17358.9403	20070.03151	17775.84546	20609.35593	17387.13415	9475.299547	17796.05594
1.67_253.1180m/z	253.1179741	1.670633333	pos	Phenylalanyl-Serine	85902	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.8	19.4	M+H	C12H16N2O4	-1.22709884	4928.428023	5491.979504	5409.053782	4117.34594	7638.166648	6839.584982	8514.421456	3136.494183	2823.3293	6612.653115	5216.9152	2432.084177	6620.914915	6551.717161	6327.213806	4286.510799	6178.301819	3579.461375	6584.649884
10.76_745.5505m/z	745.5504533	10.76428333	neg	SM(d16:1/18:1)	LMSP03010040	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids			42.8	25.3	M+FA-H	C39H77N2O6P	0.464748787	1018726.187	1035436.451	1041708.417	1017497.628	1072893.177	1130625.639	1347833.656	1334649.189	1026014.069	1222139.276	1140769.247	1437694.314	1296585.314	1200638.905	1156742.94	1051933.601	908605.2469	1036550.486	978222.4556
11.06_271.2277m/z	271.2276976	11.06195	neg	pentadecanal	LMFA06000083	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*	C01948	42.8	20.4	M+FA-H	C15H30O	-0.755050453	2386.559097	2527.75371	2185.883946	2273.381484	3383.668325	2321.607622	2987.537589	2685.948155	2980.1844	2627.154752	2611.974048	2344.575136	2464.967928	2606.529847	2517.106224	2827.50565	2281.016774	2531.498892	2967.178073
11.36_293.2104m/z	293.2103827	11.35653333	pos	16-L1-PhytoP	LMFA02030027	Lipids and lipid-like molecules	Fatty Acyls	Octadecanoids			42.8	24.9	M+H-H2O	C18H30O4	-2.380513217	2013.992555	1198.776112	1952.221907	2582.97431	721.5193895	3201.736774	1008.834636	137.4340919	291.8384559	603.620682	1064.78661	0.000297236	1874.328908	770.339862	3858.754249	1551.206348	1116.371634	3720.00289	3700.216994
2.97_259.1297m/z	259.1296968	2.966683333	neg	gamma-Glutamylisoleucine	HMDB0011170	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.8	19.6	M-H	C11H20N2O5	-0.955403479	2144.559708	2197.878101	2281.607466	1520.534503	3523.892676	2114.965552	3668.209225	940.1924839	1109.513049	3482.662905	2318.220076	802.2207042	3369.514822	3295.315603	2904.131959	2363.418842	2622.374032	1558.890023	3135.657266
3.33_248.0949m/z	248.0949029	3.334066667	pos	Thymol Sulfate	HMDB0062720	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			42.8	22.8	M+NH4	C10H14O4S	-0.880278831	4839.209747	4862.238026	4533.21246	3821.667582	3984.561398	4575.914915	3912.494204	8364.036042	6644.991609	2389.493935	3946.081208	5907.713025	4532.461642	4473.690163	5078.008969	3575.273825	4157.193167	6046.96632	3817.332447
3.53_221.0924m/z	221.092371	3.534466667	neg	Cotinine	HMDB0001046	Organoheterocyclic compounds	Pyridines and derivatives	Pyrrolidinylpyridines	*		42.8	21.8	M+FA-H	C10H12N2O	-4.513993324	3045.909847	2722.061175	3017.807371	1556.157863	5846.97162	2563.372889	4247.824417	913.1696152	1182.904362	5335.527163	3033.498426	827.975372	3080.788709	4669.80939	3299.720688	3160.481218	3835.449738	1826.356843	3187.892968
3.78_331.0821n	332.0893436	3.784616667	pos	Malvidin	LMPK12010004	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids		C08716	42.8	17.1	"M+H, M+Na, M+H-H2O"	C17H15O7+	0.873839046	43049.0758	46122.15184	41537.35474	50868.08905	39674.82469	46677.5182	28756.02786	44378.31685	45824.70685	39837.27552	45905.72503	41474.72782	39063.37772	42725.7006	56428.87113	56185.82584	43931.86621	52730.17102	38960.47203
5.20_156.0207m/z	156.0207267	5.202733333	pos	m-Chlorobenzamide	69183	Unclassified	Unclassified	Unclassified			42.8	41.8	M+H	C7H6ClNO	-2.201111293	190528.8609	201841.2186	196831.1603	206028.0284	189140.5645	192927.1801	193252.4956	194825.22	192465.3819	193612.0208	197490.4102	204464.0711	198267.2473	201656.7406	209874.6215	211716.5757	202716.1009	208339.7373	192864.3086
8.45_290.2685m/z	290.2685029	8.449	pos	16-Hydroxy hexadecanoic acid	HMDB0006294	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C18218	42.8	21.1	M+NH4	C16H32O3	-1.717266902	5051.260936	5895.146925	5481.877805	2348.520967	3818.675159	917.0532123	6073.016178	2372.451595	1313.13523	7352.982341	1983.611327	766.3694306	6189.562533	6908.759315	1425.778983	1106.904743	944.2867184	1211.47555	3139.922207
8.65_272.2217m/z	272.2217254	8.6473	pos	Lubiminol	HMDB0029604	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		42.8	17.3	M+NH4	C15H26O3	-1.159879457	2476.644373	2238.940408	2412.472347	2099.567856	1930.867101	2747.690783	2204.957404	2437.965268	2379.246295	2222.127108	2381.116989	2077.595066	2681.546635	1923.187065	2189.621975	2202.119704	2147.706195	2072.285016	2448.009499
8.87_410.2895m/z	410.289525	8.868133333	pos	3-hydroxytetradecanoyl carnitine	HMDB0061640	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		42.8	22.8	M+Na	C21H41NO5	4.72724262	5491.625275	5560.044286	5510.684608	8370.462021	1900.111128	3038.445409	8922.685246	2776.284378	9733.543749	3576.030284	10405.14821	11774.96972	3077.477841	2471.565269	5765.863382	4407.130365	4256.111451	5552.871548	4150.902193
0.09_267.2677m/z	267.2676834	0.086083333	pos	"2,14-dimethyl-hexadecanoic acid"	LMFA01020044	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			42.7	19.3	M+H-H2O	C18H36O2	-1.965660578	4843.827151	4119.112286	4777.855274	5624.877455	4628.507804	4536.79859	4802.448087	4495.072365	4631.116384	5143.624401	4448.961792	3313.573234	4233.321962	4740.532797	6507.240791	5219.535811	5878.165769	5051.554352	4817.394524
0.42_203.1064m/z	203.1064033	0.418316667	pos	"6-Acetyl-2,2-dimethyl-2H-1-benzopyran"	87212	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			42.7	18	M+H	C13H14O2	-1.251150113	91622.25657	81021.17487	82667.12072	89410.50428	85843.17241	96625.72771	90657.1336	95518.8845	87936.39429	95412.14164	97696.20253	74260.497	81505.25145	80715.01569	86450.51745	86539.81956	86935.1357	91871.68953	82932.99045
0.92_281.0516m/z	281.0515749	0.919466667	neg	beta-D-3-Ribofuranosyluric acid	HMDB0029920	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	**	C05513	42.7	20.1	M-H2O-H	C10H12N4O7	-3.941551797	30051.6599	24457.02684	29298.96282	25570.94148	33195.54182	22789.15334	39887.78621	14943.34042	20348.94799	35422.04433	37427.71529	17091.03148	40939.19548	43823.61072	30173.59077	28452.44749	32868.32375	17471.97865	32869.97283
10.07_664.3444m/z	664.3444079	10.06806667	pos	OHOHA-PS	LMGP20040027	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			42.7	20.4	M+H	C31H54NO12P	-1.856296842	15945.91988	14971.4957	16664.82248	20148.54403	18625.57969	15047.03952	14831.927	13103.68625	16129.40104	12200.9313	17128.80128	26883.65217	18769.71598	23287.48796	20109.03993	20614.73899	16900.88963	16935.23475	20030.71773
10.36_316.2241m/z	316.2241276	10.36063333	pos	Val-Val-Val	HMDB0094676	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.7	20.1	M+H	C15H29N3O4	3.314483455	16260.86561	11708.55433	14980.61864	9211.230725	27944.22712	5313.940858	42505.39582	37384.7448	9040.431164	31389.88916	9265.740745	4299.64454	15366.97765	21442.53022	5333.472964	6369.143085	6371.732741	8162.638812	11191.70902
10.42_595.2888m/z	595.2888229	10.42301667	neg	"PI(18:2(9Z,12Z)/0:0)"	LMGP06050010	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			42.7	21.4	M-H	C27H49O12P	-0.107790494	24536.81182	20931.88713	21105.32543	21505.83679	26504.52714	30972.5939	26198.61857	9834.397115	13980.51979	15990.56245	20597.84607	18789.25097	37426.40051	31154.08722	25670.69989	24044.0277	27753.22239	26050.69021	36198.14819
10.53_254.2238n	255.2313473	10.52578333	pos	cis-10-palmitoleic acid	34745	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			42.7	24.7	"M+H-H2O, M+H"	C16H30O2	-2.892487669	13358.41938	12350.24654	13164.60198	12126.27626	15073.34993	14099.63961	11727.97441	11954.15569	13308.49326	14087.70554	12893.99774	12505.81304	14766.44775	14085.47665	14065.25978	10631.62097	11948.58977	11629.38022	12761.06113
11.10_1063.6947m/z	1063.694697	11.1045	neg	GM4(d18:1/18:0)	LMSP0601AA02	Lipids and lipid-like molecules	Sphingolipids	Acidic glycosphingolipids			42.7	24.4	M+FA-H	C53H98N2O16	4.7694376	138878.9632	124375.471	131919.1504	157061.0545	151953.3309	139074.0567	174997.8746	180123.8583	143306.3264	159365.4167	180177.5395	170450.9935	209734.5067	151689.5006	89954.86001	137475.8979	137056.0399	195335.7025	148586.6232
11.23_507.2725m/z	507.2724921	11.23078333	neg	"1-(11Z,14Z-eicosadienoyl)-glycero-3-phosphate"	HMDB0062303	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	*		42.7	16.1	M+FA-H	C23H43O7P	-0.759637353	67548.16482	63677.38184	60755.9321	58950.99056	86168.31276	83334.49538	62402.91696	120105.61	78619.28527	47388.92124	58468.20104	90448.68319	62890.20009	45141.51878	66108.52939	73914.17848	72313.53724	83020.29645	53236.99954
11.57_1091.7254m/z	1091.725422	11.57193333	neg	GM4(d18:1/20:0)	LMSP0601AA03	Lipids and lipid-like molecules	Sphingolipids	Acidic glycosphingolipids			42.7	23.1	M+FA-H	C55H102N2O16	4.092286454	124914.2525	114004.9963	109029.5896	106548.8128	110913.3901	111747.3373	137123.5862	73352.90145	89394.60869	78170.46764	108813.6034	124577.1129	139726.7149	145055.0037	134941.0025	122532.5154	147293.6494	100199.6538	103477.8354
14.60_584.2621m/z	584.2621039	14.60025	pos	Americine	HMDB0034441	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C09996	42.7	23.9	M+K	C31H39N5O4	-2.308622984	6072.750132	4953.611023	4115.990982	6523.488545	2666.550172	13860.32401	10324.35024	83660.00223	37010.32321	14366.12164	10795.63827	14250.39531	9314.869737	12263.01115	16291.66335	12015.64718	13404.92782	12291.91857	9880.057666
4.54_215.0917m/z	215.0917078	4.5414	neg	"1,4-Ipomeadiol"	HMDB0030471	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			42.7	21.4	M+FA-H	C9H14O3	-4.640619019	2030.958278	3327.268962	2540.009885	1127.919156	1973.221303	1197.099732	1271.710754	8075.958229	2205.272903	1044.946365	1441.329609	1269.329864	1207.385365	1027.675174	1257.156864	1296.934949	1211.554922	1279.276496	1099.584809
5.62_331.2043m/z	331.2042952	5.618966667	pos	N-(3-oxo-dodecanoyl)-homoserine thiolactone	LMFA08020241	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			42.7	21.5	M+NH4	C16H27NO3S	-2.219298004	19566.45652	24627.8339	20593.12	16125.6946	13117.09337	17253.48319	19114.64333	12939.22178	21704.02037	23753.52834	19927.72123	20466.1983	33981.91402	21816.55582	20155.82808	22629.91575	31313.70964	16686.18542	19422.84518
0.46_171.1014m/z	171.101428	0.457466667	neg	N(tele)-methylhistaminium	HMDB0062574	Organic nitrogen compounds	Organonitrogen compounds	Amines			42.6	15	M+FA-H	C6H12N3+	0.814728629	20229.59764	21315.05843	20998.41123	20645.99605	21083.50373	19668.78168	21288.51938	20031.94792	21067.17449	22753.09956	20775.19301	20530.21595	21216.99429	21544.35966	20957.34371	21403.80934	19447.87692	20746.58619	19508.74355
0.73_207.0138m/z	207.0137507	0.7299	neg	Hydroxypyruvic acid	HMDB0001352	Organic acids and derivatives	Hydroxy acids and derivatives	Beta hydroxy acids and derivatives	**	C00168	42.6	19.7	2M-H	C3H4O4	-4.278940288	55866.15843	58874.46866	62671.14607	47113.30595	88454.83828	59106.55609	56089.04688	53117.00598	55753.96891	84395.06681	57820.14554	55016.59138	42405.57527	45523.69234	60334.9298	65966.73294	61250.52815	59778.82106	68834.92932
0.75_222.0969m/z	222.0968971	0.7465	pos	N-Acetyl-D-glucosamine	3356	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00140	42.6	24.9	M+H	C8H15NO6	-1.431714385	66515.23849	70766.81192	67532.34607	74609.00139	55822.3303	58597.67838	52760.86962	59562.02326	64007.89539	61041.23841	62627.52519	87820.67869	72138.85603	69916.73442	91041.98397	75058.34211	71879.49778	78516.70251	84486.80227
1.10_288.1186m/z	288.1186496	1.0977	pos	Clavamycin E	71639	Unclassified	Unclassified	Unclassified			42.6	23.9	M+H	C11H17N3O6	-1.261105721	5646.144647	5960.174117	5829.386404	6006.562787	6976.68329	7930.894843	5466.974397	7019.656475	5683.827881	8658.889306	7284.431249	6887.849283	4930.351481	5478.936877	6161.41789	6805.883796	5176.003831	5423.199263	6884.161401
1.28_268.0802n	291.0694584	1.278566667	pos	Arabinosylhypoxanthine	HMDB0003040	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			42.6	18.4	"M+Na, M+K"	C10H12N4O5	-1.983845574	1691948.731	1870870.508	1726543.781	1806649.644	1849549.25	1754545	1822060.545	1242645.595	1256716.199	1885838.105	1672387.886	1227350.011	1942736.882	1991996.611	2044250.578	1919444.278	1806752.601	1791435.864	1884459.224
1.65_271.0745m/z	271.0745228	1.651983333	pos	3-(Cystein-S-yl)acetaminophen	HMDB0240217	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.6	20.5	M+H	C11H14N2O4S	-0.672455072	21071.24847	27609.63313	23922.35015	15974.12038	25121.38648	34967.23689	25797.10819	7045.909034	11961.92687	41998.7762	19431.38414	8920.884554	37028.42485	28100.21543	24246.87325	22929.66421	26219.7458	17283.24807	18970.99898
10.21_572.3571m/z	572.3570691	10.21133333	neg	Daphniphylline	HMDB0030291	Alkaloids and derivatives	Daphniphylline-type alkaloids	Unclassified			42.6	28.3	M+FA-H	C32H49NO5	-4.18588897	8410.59477	8805.872343	7744.978356	13407.46209	8581.134898	8842.275511	14776.76089	2816.7898	4056.77602	7333.522807	13940.90233	4238.11952	11878.62175	13014.84762	9551.967804	8567.62689	10641.80443	8601.1996	13519.69829
10.76_271.2262m/z	271.2262086	10.75505	pos	(+)-12-hydroxy-9Z-hexadecenoic acid	35625	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			42.6	20.5	M+H	C16H30O3	-2.082202028	24612.95816	23162.27672	24194.1907	23939.06097	25692.73793	24681.42399	24304.89588	23042.54635	24352.72975	24592.00589	24814.63697	26069.42717	24115.85606	24897.01757	24315.2421	24621.13717	23680.70775	24957.81284	24366.19385
11.69_315.2524m/z	315.2523845	11.68771667	pos	"9,10,13-Trihydroxystearic acid"	HMDB0030935	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		42.6	22.1	M+H-H2O	C18H36O5	-1.81033454	5417.820835	4830.84526	5801.835511	5253.295187	4931.734308	5603.144167	5872.741589	5592.45295	4949.832774	5392.523326	5308.777048	5196.205321	4810.339033	4881.781878	4967.842172	5220.229503	5303.334599	5147.828043	5318.182711
13.23_788.5221m/z	788.522144	13.23398333	neg	"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))"	HMDB0009685	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		42.6	29.5	M-H	C45H76NO8P	-1.81707122	233570.332	227127.7899	224139.0851	233075.8476	230994.4356	179101.269	246993.502	282815.9379	360644.3547	227713.8428	229670.3749	35442.2053	174509.2217	214126.1756	204116.7228	269024.7973	229490.1247	204692.9347	212410.0607
15.78_183.1740m/z	183.1739909	15.77676667	pos	"3,5-dodecadien-1-ol"	LMFA05000033	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			42.6	21.4	M+H	C12H22O	-1.925822069	13062.30403	12115.28559	12662.24177	12113.28849	12556.72664	13562.93471	13017.01085	13325.91541	13331.68309	12635.40565	13996.07514	12726.18001	12248.16903	12391.8522	13358.26595	13315.13647	12151.04235	13270.56477	13457.02521
3.80_208.1310n	231.1202132	3.80485	pos	"5S,6S-epoxy-15R-hydroxy-ETE"	HMDB0062236	Organic oxygen compounds	Organooxygen compounds	Ethers			42.6	14.3	"M+NH4, M+Na, M+H"	C9H20O5	-0.366285639	127954.2518	207651.9234	154350.6456	133350.7769	169800.5297	162746.7603	236561.5683	205692.7799	211321.2214	145362.8971	235075.974	278784.3668	256031.3347	217983.7045	190083.804	200594.634	124688.9118	156996.4579	245922.0841
4.27_255.0882m/z	255.0882079	4.267633333	neg	Sinapyl alcohol	HMDB0013070	Benzenoids	Phenols	Methoxyphenols	**	C02325	42.6	19.1	M+FA-H	C11H14O4	3.789257118	2462.089461	2688.673039	2314.181919	3245.223791	2299.866265	2731.371683	2384.003411	2081.85235	2146.388261	2593.226999	2399.064096	2776.060298	2433.816804	2161.40251	2512.278417	2562.207413	2579.843886	2986.760336	2660.625382
5.94_310.2004m/z	310.2004	5.939833333	pos	Acetylbalchanolide	HMDB0036693	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		42.6	18.8	M+NH4	C17H24O4	-3.028440213	19851.99044	20272.84174	19372.9904	18440.13556	16505.46047	27368.94211	21787.53386	16038.73772	20825.63604	23169.08883	22725.72718	24803.33313	16893.4747	19570.24968	17425.37201	17754.01113	19292.59801	17579.32363	17168.93049
9.23_259.1901m/z	259.1900711	9.229666667	pos	Dibutyl adipate	69913	Unclassified	Unclassified	Unclassified			42.6	18.3	M+H	C14H26O4	-1.21883384	4694.629814	3798.545276	4527.357171	3808.858162	5136.599072	4839.459077	4303.319992	5326.691988	5030.579938	4825.651093	4523.23551	3944.616328	4082.48501	4122.956257	4666.57285	4064.104468	4425.829838	3189.984371	4435.321834
9.60_419.3151m/z	419.3150574	9.602583333	pos	Dihomocholic acid	LMST04020030	Lipids and lipid-like molecules	Sterol Lipids	Bile acids and derivatives			42.6	20.4	M+H-H2O	C26H44O5	-1.212019959	17833.9585	16954.98303	18687.56279	18313.76667	18300.12097	16671.71215	19649.38432	18843.17269	19674.7503	20045.1593	17688.12295	19393.36401	17998.67421	16653.75046	18356.69496	18527.80492	17100.3264	18463.29203	17792.14008
9.87_313.2385m/z	313.2384814	9.874866667	neg	"12,13-DHOME"	HMDB0004705	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C14829	42.6	21.4	M-H	C18H34O4	0.153667254	4027.085947	4100.834075	4200.948394	2938.159871	4843.943841	4119.901417	3126.60714	5098.371619	6349.438686	3719.007596	3084.816865	4109.276751	3777.995983	3202.479944	3653.740441	3308.744493	3140.101138	3401.940734	3327.158218
0.03_161.0820m/z	161.0820179	0.025633333	pos	Hydralazine	HMDB0015400	Organoheterocyclic compounds	Diazanaphthalenes	Benzodiazines		C07040	42.5	19.5	M+H	C8H8N4	-0.967199402	35390.45544	27480.19482	32990.61408	35061.0208	30848.54717	30257.2548	33762.36787	34873.63537	39684.17097	37632.3833	39114.18943	26682.24353	29066.08242	25342.19169	32278.995	32144.65779	30955.53699	33696.0652	34070.46885
0.70_236.0770m/z	236.0769875	0.695333333	neg	"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid"	LMFA01050473	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			42.5	20.6	M+FA-H	C7H13NO5	-3.076630269	39003.71586	44654.43017	24013.74547	58016.67184	27704.03574	70293.76873	32780.25567	25878.12008	68207.49161	28187.11518	28318.54473	34530.5836	22820.89766	20521.19245	37101.3045	64837.64533	28521.37422	51896.14334	22269.71546
0.71_119.0587n	120.0655301	0.712233333	pos	AMINOHYDROXYBUTYRIC ACID	44197	Unclassified	Unclassified	Unclassified			42.5	18.1	"M+H-H2O, M+H"	C4H9NO3	3.435466493	419325.9749	451862.3433	410193.6058	455838.2849	417822.5037	398510.675	389219.8517	443531.2849	393140.5701	416795.5055	412079.0176	528778.6479	404024.6141	498178.2975	401926.6978	432152.5277	440777.3165	458030.3922	527595.2161
1.06_217.0822m/z	217.0821992	1.063433333	neg	Serinyl-Hydroxyproline	HMDB0029040	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.5	22.1	M-H	C8H14N2O5	-3.649420092	7176.798115	7377.472136	6698.629957	5196.590381	9212.976273	10314.06477	5902.891278	11974.19473	7543.086148	9504.076128	3930.809968	10466.98056	5314.28759	5371.528085	6182.08216	6518.641143	7435.418274	3711.54279	8209.478315
1.14_208.0638m/z	208.063779	1.13905	pos	"(2R,2'S)-Isobuteine"	86955	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.5	18.2	M+H	C7H13NO4S	-0.126945342	7408.529281	7909.211475	6865.175336	7410.480621	8476.537631	5139.524906	4778.554566	16794.35296	11614.11093	3588.938596	4138.649467	11803.87909	6680.101372	6915.887264	7171.985976	5932.12719	6369.975589	8696.666839	8372.184525
10.71_548.2971m/z	548.29708	10.71288333	pos	1-(2-methoxy-6Z-heptadecenyl)-sn-glycero-3-phosphoserine	LMGP03060015	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			42.5	19.7	M+Na	C24H48NO9P	2.266432576	20470.3932	21669.39998	22356.94768	28286.66567	20608.3597	23882.53542	26814.97025	9767.725977	14044.57149	17434.92674	25422.23436	17432.43327	31931.83157	28688.69758	27439.31447	25567.94023	26414.98251	27472.45813	36967.65524
2.75_272.0225m/z	272.0225353	2.754933333	neg	(2S)-2-amino-3-[4-hydroxy-3-(sulfooxy)phenyl]-2-methylpropanoic acid	HMDB0142153	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			42.5	26.1	M-H2O-H	C10H13NO7S	-3.079746241	5212.547808	4495.717493	4775.425273	5536.435792	4067.712015	5160.218808	5216.729579	3816.15525	4240.024965	5047.993709	4892.419928	4877.877166	5298.052035	4718.423553	4107.987585	4227.93551	4085.55349	5759.482856	4408.656745
2.96_260.1367n	261.1441541	2.9598	pos	Glutamylleucine	HMDB0028823	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.5	27.2	"M+H-H2O, M+H"	C11H20N2O5	-1.823166066	18979.41346	16877.12793	17296.20579	12887.67349	21384.44472	15246.96569	22469.4071	9947.618755	11201.50514	21645.27567	16604.61566	10677.31397	23636.6307	24060.77169	20519.6498	17192.47176	20292.41585	12812.71951	20760.11013
2.97_382.1004m/z	382.1004352	2.966683333	neg	(S)-malyl N-acetyl-alpha-D-glucosaminide	LMFA13010059	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides			42.5	20.4	M+FA-H	C12H19NO10	3.964637704	80367.7765	78691.16901	79244.77066	58561.67149	78966.14773	153790.5547	54826.34842	78723.81578	103614.6082	126811.5541	77101.00621	54895.76254	74305.58024	92988.92769	70446.861	63914.12425	66220.40648	68062.63496	94925.58373
4.02_277.1225m/z	277.1225445	4.01795	neg	Pantetheine	HMDB0003426	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00831	42.5	21.3	M-H	C11H22N2O4S	-0.745301177	1074.688481	881.0832997	1282.734729	1885.334579	1388.12737	3201.702822	3454.945178	1867.524962	1628.941885	2224.607895	2234.869701	469.18494	2012.776629	1536.972182	1198.303182	1542.237081	1648.662256	1002.438707	1223.608599
4.41_460.3113m/z	460.3113	4.410033333	pos	Gentamicin	HMDB0014936	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C00505	42.5	26	M+H-H2O	C21H43N5O7	-3.478713806	6875.482376	6023.345597	6377.337204	5827.825746	6309.786846	5546.736797	5467.223093	6015.752979	6852.350084	5951.76116	6601.856601	4756.793663	5140.176779	6294.354839	5520.384852	5628.777876	6755.117879	5769.11349	5052.140362
4.44_336.0725m/z	336.0725254	4.4373	neg	"2,8-Dihydroxyquinoline-beta-D-glucuronide"	HMDB0011658	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			42.5	21.3	M-H	C15H15NO8	0.105102883	1878.803616	1740.507573	1641.487451	2231.778662	1844.043032	1464.842509	1917.84807	2393.127568	2042.328482	1729.913987	2336.881388	1638.240192	1473.514685	1738.732296	1408.944066	1379.552679	1593.849414	1777.700696	1596.532252
5.06_220.1363m/z	220.1362539	5.061983333	pos	Pentahomomethionine	64511	Unclassified	Unclassified	Unclassified			42.5	20.6	M+H	C10H21NO2S	-1.471502585	14467.22921	15692.60974	14447.68522	13456.17276	16492.83275	8966.119213	13342.25455	32834.29272	21284.43646	9884.16157	12898.98117	18659.23931	11344.18213	15330.96479	17678.96668	10703.03095	15911.54862	10188.84137	15169.62118
5.56_228.1227m/z	228.1227132	5.558333333	pos	"5-(3',5')-Dihydroxyphenyl-gamma-valerolactone"	HMDB0029187	Benzenoids	Phenols	Benzenediols			42.5	20.8	M+NH4	C11H14O4	-1.529222104	1623.178673	1692.411417	1441.800256	1822.241534	1287.039064	2088.255151	687.5895164	3089.879023	3608.090765	1162.463294	1443.321899	1443.896236	936.1587377	907.4110566	1076.03531	1266.587242	1203.289783	2038.170985	1268.632725
6.55_215.1281m/z	215.1280715	6.550633333	neg	"trans-p-Menth-2-ene-1,4-diol"	HMDB0037021	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		42.5	19.5	M+FA-H	C10H18O2	-4.767765271	722.7836837	808.4918882	745.6624387	357.9331364	469.8192727	590.396665	423.8014768	2823.432504	1030.639449	435.6934235	470.3452606	575.5571118	478.0243668	488.1079171	500.4917102	390.3701105	407.6338776	385.1934229	367.0989044
6.99_243.1830n	244.1903225	6.98875	pos	N-Undecanoylglycine	HMDB0013286	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.5	17.9	"M+H, M+Na, M+H-H2O"	C13H25NO3	-1.634918937	42371.27235	45286.28135	43180.63576	42071.48473	39642.86508	39107.12189	41490.01056	43924.46886	43283.79339	42677.9836	41233.04477	42326.9459	49890.38024	43549.77612	42628.31139	41184.42281	42678.5584	41974.91195	56438.81754
9.77_414.2036n	437.1927981	9.77185	pos	Armillaripin	86949	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		42.5	18.6	"M+H, M+NH4, M+Na"	C24H30O6	-1.494129284	1016825.104	1076105.415	1035159.546	771792.7039	998783.7968	831924.7385	782482.5041	1490699.832	811006.0263	744033.7416	849790.9795	903016.7474	985981.3602	893817.8414	724405.8292	849780.5735	793411.8181	831090.2927	781476.8697
0.71_110.0272m/z	110.0272283	0.712233333	pos	Hypotaurine	281	Organic acids and derivatives	Sulfinic acids and derivatives	Sulfinic acids	**	C00519	42.4	21.8	M+H	C2H7NO2S	1.856578374	23495.79049	23854.61083	28359.64932	18405.38569	14283.07621	24875.99607	19174.36215	18525.44669	93922.05998	25404.56517	19007.88423	11932.69909	26097.3256	33822.77991	17467.38822	18830.54882	25491.83853	15342.05928	25126.54711
0.93_265.1115m/z	265.1115469	0.929766667	pos	Thiamine	229	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C00378	42.4	24.9	M+H	C12H16N4OS	-0.801335678	14221.58448	16804.42148	15644.90546	19612.12866	13635.72175	15740.00109	14729.5098	7720.172645	10852.66094	16897.09029	16063.3341	11277.63101	19639.58278	16697.70416	17537.05306	17486.31971	16868.58765	16333.46893	16957.59375
1.16_266.0690m/z	266.0690264	1.1594	pos	(4-ethyl-2-hydroxy-6-methoxyphenyl)oxidanesulfonic acid	HMDB0128019	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			42.4	22.3	M+NH4	C9H12O6S	-1.041050067	3863.210972	3445.576251	3205.108221	2922.059282	4985.076892	4191.768622	1560.196117	6669.60189	5152.985677	4127.510649	2756.853742	3696.909648	2885.832926	3249.325062	4563.862615	3642.418958	2519.213303	4208.200866	3741.312911
1.30_606.1708n	651.1685228	1.297066667	neg	Skullcapflavone I 2'-(2''-E-cinnamoylglucoside)	LMPK12111300	Lipids and lipid-like molecules	Polyketides	Flavonoids			42.4	33.4	"M-H, M+FA-H"	C32H30O12	-4.763398043	14650.90002	17494.90034	22631.27971	19433.38336	17731.08349	21221.49396	21328.39083	11352.80029	9075.612049	21696.8542	17274.52473	15452.5855	20740.89699	17581.58539	19036.32579	19384.46773	22797.47787	19444.83379	21561.78187
10.08_450.2626m/z	450.2626486	10.08475	neg	LysoPE(0:0/16:1(9Z))	HMDB0011474	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		42.4	15.1	M-H	C21H42NO7P	0.079204336	26053.5534	23768.8668	24418.04281	19263.33718	62098.72446	29922.38442	21090.72987	17842.11574	32543.00374	28394.82762	17961.87888	23545.36518	41911.01665	35953.60384	20965.9216	21110.62527	23495.36598	19439.34719	32956.22339
10.34_356.3516m/z	356.3516025	10.33983333	pos	Eicosanoyl-EA	3723	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			42.4	19.2	M+H	C22H45NO2	-1.980141679	18329.45846	18169.60491	17948.63173	18123.95666	29299.66097	12030.78155	12349.42655	16762.60119	15183.3325	13215.57584	15825.96165	16908.56946	17748.8105	13191.77627	16829.94713	17313.86822	12126.47825	29808.12335	13673.91413
10.51_468.3442m/z	468.3442025	10.50568333	pos	PC(O-15:0/0:0)	LMGP01060009	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			42.4	19.9	M+H	C23H50NO6P	-1.388463183	11022.47269	11981.2135	11926.01247	12385.80881	11919.72944	11868.90836	12240.26005	12615.811	14272.6311	10481.44234	11386.923	13949.86826	12511.12873	11249.62346	13685.76386	12352.63492	11663.57897	13255.25153	11069.86914
10.71_278.2239n	279.2311351	10.71288333	pos	alpha-calendic acid	LMFA01030144	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	*		42.4	18.5	"M+H, M+NH4"	C18H30O2	-2.593352914	67867.81945	65673.76894	67192.45509	62380.2543	54023.27877	58538.4101	45492.48317	146748.7029	67957.51155	45088.62879	59646.01446	86411.19616	53837.00693	52167.39413	67738.98076	49691.64221	63666.24329	79494.84199	67966.17521
11.49_342.2645m/z	342.2645251	11.48636667	neg	Lepadin D	LMSP01080052	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			42.4	19.7	M+FA-H	C18H35NO2	-1.537671619	3477.202563	2833.763451	3172.601425	3560.61123	2787.345353	3027.991155	2356.004588	2853.66111	2781.002529	2415.930673	2600.45915	4427.378959	3659.032015	2682.058761	2997.971357	3266.031157	2812.249815	4231.509058	3161.457795
3.31_516.1308m/z	516.130844	3.313233333	neg	Neoacrimarine J	HMDB0034787	Organoheterocyclic compounds	Quinolines and derivatives	Benzoquinolines			42.4	31	M-H	C28H23NO9	1.622593952	1166.963482	1029.504312	1279.35778	1515.519927	2033.480098	2210.502216	903.8673613	3861.694859	1121.883643	1957.007943	911.2008314	428.6821895	1299.093624	1019.827085	836.0827552	1094.749385	999.0510303	719.0150899	1610.628645
4.76_260.1854m/z	260.1853904	4.759316667	pos	(±)-Hexanoylcarnitine	85174	Unclassified	Unclassified	Unclassified			42.4	19.1	M+H	C13H25NO4	-0.942548381	5587.253604	4674.24177	4865.867325	4112.649146	4412.055268	5469.362638	5862.431156	4189.407971	4886.635243	6145.116471	5238.902999	5593.877176	4481.237229	4531.488161	6022.681663	5079.516524	5687.68708	4952.398601	4421.87146
4.93_244.1186m/z	244.1186392	4.9336	neg	2-octenoylglycine	HMDB0094801	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.4	17.7	M+FA-H	C10H17NO3	-2.044581635	1241.648444	1418.534966	1474.859947	1077.757699	1992.740325	1403.03139	1132.835241	5107.583663	2358.860415	1173.614792	763.2435924	1318.602264	1205.28881	896.4129199	981.4156149	847.9259481	950.6337822	1407.373246	1230.890055
5.00_198.0890n	181.0857432	5.003183333	pos	5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid	HMDB0030991	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	*		42.4	16	"M+H-H2O, M+Na"	C10H14O4	-0.896070716	6827.374575	6590.3402	6427.660384	8275.907107	4577.640359	7625.43503	7438.964734	2593.991732	3627.641237	6728.362276	7261.371811	6008.059049	5136.758798	4576.309355	9249.054799	7819.657508	8188.270587	8723.973686	4374.792453
5.72_254.0573n	255.0646167	5.721516667	pos	Daidzein	HMDB0003312	Phenylpropanoids and polyketides	Isoflavonoids	Isoflav-2-enes	***	C10208	42.4	17.2	"M+H, M+Na"	C15H10O4	-2.237855709	2572.497492	2503.945413	2519.85148	1045.583786	4126.081218	8001.222966	1002.817945	1050.858917	666.5746391	14340.47982	573.1076425	1147.531856	812.0517221	996.335081	1180.729215	1727.560099	1688.779241	1017.583958	866.3425528
6.04_261.0436m/z	261.0436018	6.044416667	neg	(3-phenylpropoxy)sulfonic acid	HMDB0135313	Benzenoids	Benzene and substituted derivatives	Unclassified			42.4	17	M+FA-H	C9H12O4S	-1.068720919	3888.98221	3994.136965	3927.397666	2630.978978	6264.961156	5052.730674	3617.488763	4693.704177	4347.387369	4657.873275	4292.620963	3751.379093	4318.782847	4046.956017	3442.610607	4232.895413	3433.246623	2960.216392	4271.404634
7.19_253.1794m/z	253.179391	7.189233333	pos	Epioxylubimin	HMDB0035613	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		42.4	25.2	M+H	C15H24O3	-1.705473349	10977.52457	10218.87489	9948.616432	10293.28202	10036.09966	10620.77844	10804.75323	10835.50158	9418.955295	11085.07836	10650.18382	10425.48991	10336.57	11351.37559	11763.74988	11180.59591	11193.14449	10649.83563	10001.74283
9.11_361.1633m/z	361.1633019	9.111633333	neg	Thyrotropin releasing hormone	HMDB0060080	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C03958	42.4	16	M-H	C16H22N6O4	0.897617743	58462.97633	65732.68795	59547.87585	46016.78508	67940.84607	44241.07251	68192.76102	73213.75977	81161.57593	73396.17672	71001.56722	46279.53716	43218.04105	70245.50557	74832.13976	63508.82283	44108.37212	46381.37439	50601.51331
9.73_396.3104m/z	396.310439	9.7295	pos	"MG(0:0/20:4(8Z,11Z,14Z,17Z)/0:0)"	HMDB0011549	Lipids and lipid-like molecules	Endocannabinoids	Unclassified	*		42.4	20.1	M+NH4	C23H38O4	-1.047530377	3140.131169	2863.941025	2941.449142	3271.612908	2014.181536	3127.420147	3676.295403	6309.614802	6522.368834	2248.352715	3422.429172	6717.002621	2714.051883	950.7846875	1281.546432	2974.872667	2880.657902	3098.643298	1815.53945
1.55_328.1014m/z	328.1013576	1.548516667	neg	7-Methylinosine	HMDB0003950	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			42.3	20.5	M+FA-H	C11H15N4O5+	-3.849864045	8708.555462	9670.978518	9140.950793	9134.982891	6167.394638	31657.26405	5225.510124	22934.32836	27460.43688	10843.74641	6191.206001	6150.252272	5471.973774	3404.613888	3482.839487	4721.29899	3187.457626	4229.464018	2669.528374
10.32_315.2537m/z	315.2537122	10.31815	neg	"(9S,10S)-9,10-dihydroxyoctadecanoic acid"	LMFA02000238	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C15988	42.3	17.7	M-H	C18H36O4	-1.173180579	19716.62228	15591.94293	18456.71812	17581.56166	16749.96236	17487.05357	16515.10725	17387.23623	18081.80455	16730.04053	16410.18093	19722.41825	19074.9985	18108.09631	18531.77631	17873.49172	17439.11437	18030.29282	16670.92349
10.42_390.3359m/z	390.3359195	10.42206667	pos	(+)-Dysideapalaunic acid	LMPR0105040001	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids			42.3	17.3	M+NH4	C25H40O2	-1.978449869	11713.32072	11423.95276	11550.5122	11766.25776	12893.30146	16589.834	10382.6462	5518.938206	5913.887813	10360.81108	11838.7713	6987.444502	14654.39044	13246.73697	12635.23496	13040.24821	12097.79957	14547.44333	12834.77081
13.89_102.1280m/z	102.1279556	13.89188333	pos	Hexylamine	HMDB0032323	Organic nitrogen compounds	Organonitrogen compounds	Amines		C08306	42.3	15.4	M+H	C6H15N	2.27129948	75766.23032	68542.69017	74362.57469	76300.21623	71777.23934	73694.77854	73459.76436	75058.00374	74345.28624	77183.5297	78398.5755	73788.78635	74442.7446	73605.90548	77849.56001	78576.43718	75332.78902	76661.37752	72570.28349
15.78_131.0701m/z	131.0701429	15.77676667	pos	"2,3-Dihydroxy-3-methylpentanoic acid"	LMFA01050469	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C06007	42.3	19.6	M+H-H2O	C6H12O4	-0.862664902	6041.200399	5231.583624	5440.217399	5791.817983	5484.503135	5288.211074	5690.988807	5665.282072	6079.094625	5582.799825	5583.634656	5268.17748	5211.468332	5741.150851	5197.376202	5608.365823	5592.857687	5394.547981	5487.69055
2.14_127.0503m/z	127.0502516	2.13775	pos	Imidazoleacetic acid	6445	Organoheterocyclic compounds	Azoles	Imidazoles	**	C02835	42.3	14.7	M+H	C5H6N2O2	0.378627105	5792.878327	6232.28938	6624.209452	7109.149637	3135.735618	3188.575871	6447.727895	5560.775354	11880.35364	3585.79448	7559.058555	10981.48028	6189.873108	7447.21054	5513.577335	5035.093316	4161.626141	5139.750753	7302.408919
3.30_231.1699m/z	231.1698996	3.295016667	pos	Leucyl-Valine	HMDB0028942	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		42.3	20.2	M+H	C11H22N2O3	-1.822008957	2790.280578	2736.971693	2680.897988	2225.32781	3080.968215	3053.800892	4218.595604	1710.739125	1353.670606	3627.660382	2421.465515	1047.878409	3590.633045	4471.572621	4593.524398	4320.962464	3535.833621	2487.959339	4272.948325
3.70_282.9894m/z	282.9893697	3.70115	neg	Ellagic acid	HMDB0002899	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins		C10788	42.3	26.6	M-H2O-H	C14H6O8	3.124627351	972.2413824	1089.83573	897.7259692	850.1120262	1207.380328	530.4127503	905.7946133	2845.915996	1888.767159	592.6326656	680.343826	1587.517152	830.6660686	752.0498747	982.9908164	449.9670693	498.5297527	436.2637479	783.2899791
3.80_718.3075m/z	718.3074635	3.80485	pos	Pentacarboxyl porphyrinogen III	HMDB0001957	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Porphyrins			42.3	21.3	M+NH4	C37H40N4O10	-1.150364131	7507.200646	10312.63676	8869.450868	7006.185467	5481.499159	4945.068817	9506.355243	13691.43397	19329.85608	3806.233632	8594.788022	26417.51843	10526.35607	8570.939259	5614.743394	5639.044769	5198.591175	7404.982022	6971.038788
4.47_226.1435m/z	226.1434961	4.470883333	pos	Terbutaline	2762	Benzenoids	Phenols	Benzenediols		C07129	42.3	17.1	M+H	C12H19NO3	-1.216075469	3585.665291	3469.239498	3681.358638	3322.975623	4675.622528	3825.848716	3123.343818	4187.08206	4385.827424	2824.980603	1918.71701	3009.403345	3957.163947	2503.887403	2540.327441	2762.357369	3020.256533	4569.164389	4263.916381
9.64_335.2229m/z	335.2228522	9.644516667	neg	PGA1	407	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*	C04685	42.3	17.4	M-H	C20H32O4	0.205733269	2744.044556	2778.447199	2727.354135	4803.206462	1761.46773	3661.782754	1734.300775	4101.260029	2151.484428	1696.707494	2696.382786	4287.298436	3424.126452	2985.903764	3074.661798	2958.366595	3523.444936	3921.524341	4170.407336
0.44_285.2783m/z	285.2783359	0.439416667	pos	Palmitic Acid ethyl ester	45008	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		42.2	16	M+H	C18H36O2	-1.656657658	153069.3369	132185.6659	141179.7825	147489.602	144313.3863	151096.6313	150944.9396	158224.892	145235.2137	153739.5155	151147.7646	129609.7687	137342.1836	137172.954	147717.927	149793.0183	140525.9663	155980.5737	140748.962
0.63_429.1978m/z	429.1978343	0.62635	pos	Pyridinoline	HMDB0000851	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.2	19.7	M+H	C18H28N4O8	-0.3643471	15044.37982	11824.21652	13596.93224	11923.97265	13531.70708	14183.14515	9157.927942	19539.21222	11542.5669	10897.25681	9092.549263	25551.44684	13050.12192	9855.815955	12009.41008	9802.085485	10171.81165	14022.44729	13457.40606
0.75_191.0187m/z	191.0187306	0.746966667	neg	Galactaric acid	HMDB0000639	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00879	42.2	19	M-H2O-H	C6H10O8	-4.739921608	159184.5146	188844.1844	170973.5279	147714.1593	143008.0631	103296.5911	130595.2455	357429.6589	376074.0729	228852.2565	145717.2603	240976.8825	111802.6899	146641.3739	136772.8893	150461.354	162985.0057	141634.2344	134959.862
0.76_187.1076m/z	187.1075667	0.764	pos	N-(3-carboxypropanoyl)-N-hydroxyputrescine	LMFA08020188	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			42.2	15.1	M+H-H2O	C8H16N2O4	-0.744918936	41011.81079	42648.39966	36913.47459	27493.07489	55694.00173	36839.16167	46846.09871	18342.74775	19762.72785	57234.12634	47448.27999	12277.47405	55767.11122	65984.45292	50775.07281	36015.08453	43878.55361	26707.75588	51741.67714
1.28_276.1438m/z	276.1438069	1.278566667	pos	O-glutarylcarnitine	LMFA07070091	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			42.2	21.6	M+H	C12H21NO6	-1.297193648	46898.07756	51415.91922	45301.61381	40432.92246	46635.25615	79655.2428	39692.51554	86128.01633	79137.29777	57495.48896	31779.28834	45522.35812	38725.90286	38403.08161	37006.65743	36450.27962	37557.65168	33316.14894	32117.89774
1.28_693.1108m/z	693.1107639	1.278416667	neg	"{5-[12-(3,4-dihydroxyphenyl)-13-hydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.0?,?]tetradeca-1,7,9-trien-6-yl]-2-hydroxyphenyl}oxidanesulfonic acid"	HMDB0124844	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			42.2	31.8	M-H	C30H30O17S	-3.356981249	42881.10825	62433.97422	64016.0821	78647.37822	50355.90155	74218.81635	71176.33161	45725.20372	62159.95789	56916.94344	62379.03345	30166.29002	51706.37639	46045.03447	59308.43784	64367.57011	59082.19026	64913.90888	63630.11863
1.30_317.1151m/z	317.1151282	1.296916667	pos	Emmotin A	LMPR0103200001	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids			42.2	28.8	M+K	C16H22O4	0.578424578	8250.382288	12334.32203	8983.762433	9866.46232	7137.310764	10535.5648	11864.8627	5008.450693	6755.105191	9398.920488	10145.87437	8791.400141	10829.76596	10613.59957	7856.581524	6975.744431	9685.087477	8344.81055	10715.45366
10.07_398.3263m/z	398.3262616	10.06806667	pos	"MG(0:0/20:3(11Z,14Z,17Z)/0:0)"	HMDB0011545	Lipids and lipid-like molecules	Endocannabinoids	Unclassified	*		42.2	17.7	M+NH4	C23H40O4	-0.588116883	11734.96347	14184.22807	11692.84251	12030.72604	17024.51995	15287.38596	12971.3961	19684.0711	27271.01803	11859.17892	11946.85794	19319.88421	17010.48483	15000.29009	12328.29924	9760.647218	10162.44638	10692.38687	10309.89069
10.71_104.1072m/z	104.1071882	10.71288333	pos	(E)-2-Penten-1-ol	HMDB0031604	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			42.2	15.6	M+NH4	C5H10O	2.296665158	22028.00933	13387.79051	20318.36492	21385.04598	19925.65075	21385.65578	21152.12998	20699.19903	20001.37249	21029.8904	20697.55846	14910.80899	15914.6032	18792.02144	20565.1927	19918.21335	20403.24752	22168.97968	19981.26532
11.02_750.5298m/z	750.5298404	11.01853333	neg	PE-NMe2(15:0/16:0)	HMDB0113865	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			42.2	18.3	M+FA-H	C38H76NO8P	1.109137025	915393.5824	870819.6596	732758.7768	730978.672	703861.1454	734871.4479	998317.8389	1030987.408	1018094.356	1075797.378	970537.3814	874598.8069	968373.9379	348282.1281	1113232.812	1122547.086	1257477.078	1090036.112	926327.9153
11.32_456.4040m/z	456.403993	11.31513333	pos	Arachidyl carnitine	HMDB0006460	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		42.2	16.7	M+H	C27H53NO4	-1.630782655	93825.07854	99669.97802	99210.22176	71488.4806	121262.409	115441.467	102831.7155	127066.9772	114211.4839	99829.54154	70412.8517	105736.1363	105155.5205	93166.75704	76185.42545	75301.81717	97928.60473	100624.6902	85658.59068
11.44_386.2678m/z	386.2677947	11.43953333	pos	Docosahexaenoyl Glycine	62993	Unclassified	Unclassified	Unclassified			42.2	19.2	M+H	C24H35NO3	-3.051610493	6423.094909	6299.166392	7078.747025	7823.178663	6264.118232	8421.821265	5962.99754	5285.353877	5504.73543	6275.598597	6432.988489	8531.469187	6077.235304	6947.026084	7992.861038	9030.898942	8003.252021	10153.14954	8402.281883
12.36_754.5364m/z	754.536409	12.3611	pos	PC(14:0/18:1(11Z))	LMGP01010490	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		42.2	25.3	M+Na	C40H78NO8P	0.933926947	696798.9035	485562.6082	470395.0121	473082.7288	490138.2497	521932.8913	561128.1804	645978.8619	606557.1325	667459.7352	654221.6617	528210.7891	136539.5269	121583.2833	366408.4486	442689.1339	475598.1771	516854.1273	515867.5544
12.93_195.1224m/z	195.1223548	12.92566667	pos	Tetraethylene glycol	HMDB0094708	Organic oxygen compounds	Organooxygen compounds	Ethers			42.2	16	M+H	C8H18O5	-1.778924831	259917.7554	217195.8061	260987.8374	267310.8197	255134.6299	258838.1749	261751.1307	263680.5997	259741.0112	263907.375	270260.115	233307.2547	259620.1591	250380.3816	267766.2752	279141.8956	269932.4175	272959.398	260540.6106
2.02_298.1142m/z	298.1142054	2.021083333	pos	3'-O-Methylguanosine	58349	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			42.2	19.6	M+H	C11H15N5O5	-1.311477741	29003.53087	32823.08963	29322.57849	34663.56656	25828.42798	27986.8751	19892.2519	26565.64359	27359.659	19438.50956	21313.91213	62593.9544	24361.58723	24602.80841	39714.39446	35438.50578	30235.50015	34007.98122	30201.64374
3.49_252.9785m/z	252.9784609	3.494566667	neg	Zoledronate	HMDB0014543	Organic acids and derivatives	Organic phosphonic acids and derivatives	Bisphosphonates			42.2	12.3	M-H2O-H	C5H10N2O7P2	-0.080694098	4704.098238	4972.705626	4540.944361	3721.287841	7620.069015	3535.500682	3101.181265	9929.717171	7300.816853	3784.819332	2139.761939	6758.812351	6465.120433	6422.192654	3275.728297	1609.180539	3638.791434	1773.275051	5133.053932
4.86_255.0858m/z	255.0858398	4.8594	pos	Arbutin	HMDB0029943	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C06186	42.2	17.5	M+H-H2O	C12H16O7	-1.745165621	2625.608459	2836.371158	1563.719011	1312.999807	2383.643958	1947.96082	1812.438088	1377.463059	1911.61662	2098.208863	2994.17295	1292.459988	1512.252529	1957.259015	2473.192218	2359.175604	2639.668891	1932.848783	1553.628496
4.90_173.1049n	174.1122251	4.9001	pos	Hexanoylglycine	5669	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.2	14.5	"M+H, M+Na"	C8H15NO3	-1.413724726	20785.71696	18853.66051	18170.72729	12383.31445	27588.07022	13820.86888	14063.0878	25761.9408	24212.55969	13654.84289	16745.4236	16538.99697	20698.67114	24650.96964	23739.16106	19512.64585	22583.73538	18143.24832	22150.7524
4.98_237.0400m/z	237.0399958	4.976133333	neg	8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one	HMDB0030692	Phenylpropanoids and polyketides	Coumarins and derivatives	Hydroxycoumarins			42.2	16.4	M+FA-H	C10H8O4	-2.425545024	599.9713357	657.6391855	516.3480867	386.2153143	2324.682817	1891.694124	184.5945225	75.56005453	12.36584405	2536.589331	77.07463945	145.9931601	187.7209538	78.97068551	548.8269295	347.8335785	869.5423061	726.8563237	110.914404
5.02_277.1179m/z	277.117853	5.02275	pos	N-lactoyl-Tryptophan	HMDB0062178	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.2	17.1	M+H	C14H16N2O4	-1.559079196	4274.438599	4141.833196	4337.932942	4514.986377	3035.954996	5009.58554	3274.567286	3016.07441	2132.013307	4041.02955	2624.659033	4884.83888	4520.607404	4171.702022	5021.479284	3343.162559	4542.278772	4382.209966	7450.499502
5.35_457.0185m/z	457.0185241	5.348233333	neg	dIDP	HMDB0003536	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine deoxyribonucleotides	**	C01344	42.2	19.7	M+FA-H	C10H14N4O10P2	4.381541082	523.1157846	774.2211098	664.6064949	132.9276204	730.1981563	4017.699206	0.000297236	0.000297236	0.000297236	4112.255347	0.000297236	92.78954134	556.6240573	65.54317354	81.13254958	0.000297236	260.9666399	0.000297236	0.000297236
5.79_260.0926m/z	260.0925702	5.79205	neg	Macaridine	HMDB0039455	Organoheterocyclic compounds	Pyridines and derivatives	Hydropyridines			42.2	13.6	M+FA-H	C13H13NO2	-1.215016476	1193.909676	1243.625617	1191.84746	2095.294067	1093.289079	1312.441585	741.7067363	1500.014288	1445.637686	870.0972401	1442.793445	1877.175704	1053.327327	891.2979034	1213.926286	1511.154916	1306.409439	2277.564323	2093.738365
8.97_388.3051m/z	388.3051218	8.96785	pos	2-Hydroxymyristoylcarnitine	LMFA07070033	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		42.2	17.2	M+H	C21H41NO5	-1.621611149	6363.274003	8648.506769	8135.63393	6008.390487	7265.412898	7540.94641	4956.289303	17104.44186	15977.99791	5066.146931	5079.84085	12457.80206	8057.11449	8909.081142	8314.2074	5463.238376	5507.524464	5060.682687	6205.088726
9.67_360.2660n	343.2626827	9.665583333	pos	"methyl 9,10-Epoxy-11,13-docosadiynoate"	LMFA01070038	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			42.2	17	"M+H-H2O, M+H"	C23H36O3	-1.315912693	22020.66462	22879.16868	22089.64615	24357.49034	8664.531503	20492.02631	33796.80386	0.000297236	245.1993112	48316.26167	32524.83409	807.0026253	7693.777592	9904.876973	59717.72791	33813.56252	37794.66173	47519.69313	8325.230055
9.92_239.1648m/z	239.1648049	9.918016667	neg	"4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone"	HMDB0032913	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*	C03527	42.2	15.6	M+FA-H	C13H22O	-2.386193894	3132.901836	3292.953064	3629.55421	1938.82855	3877.837253	3183.621168	2131.045399	5651.377728	5360.447601	1690.195707	2513.138624	3265.626921	3976.95622	3460.957096	3685.976462	4171.239149	3332.412644	3301.178301	4264.934563
0.82_204.1230m/z	204.1229822	0.816033333	pos	DL-Acetylcarnitine	LMFA07070060	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters	**	C02571	42.1	13.3	M+H	C9H17NO4	-0.257334334	1067829.734	1076649.384	1083799.06	1147260.736	993440.1759	1224002.896	1117107.872	1515844.924	1063435.308	1152572.773	836805.2704	1388893.7	1093457.848	1016645.32	863828.4075	869168.3512	1238046.347	910362.4612	929189.7127
0.92_226.0115m/z	226.011508	0.919466667	neg	L-Glutamic acid 5-phosphate	HMDB0001228	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C03287	42.1	16.6	M-H	C5H10NO7P	-3.100391449	14871.52935	14819.27199	14672.46238	14855.56093	16420.30303	18613.77428	11677.33096	13455.66477	13413.68044	19416.80215	13135.25107	19019.31795	15618.19644	14254.6418	13937.59963	12913.68289	13633.78656	14685.4965	14973.83483
1.20_297.1078m/z	297.1077837	1.199533333	pos	Tyrosyl-Aspartate	85993	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.1	19.7	M+H	C13H16N2O6	-1.111180939	10246.35916	11995.23456	10658.62433	10670.28016	9480.52455	9515.499599	8199.6014	8344.300699	12258.81733	9786.817716	10654.42395	10626.83677	10584.62175	10220.28257	11986.05941	9239.26838	10175.87441	11846.44562	10567.36588
1.30_559.1808m/z	559.180767	1.297066667	neg	"3,4,5-trihydroxy-6-{4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)propanoyl]phenoxy}oxane-2-carboxylic acid"	HMDB0125859	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			42.1	24.1	M+FA-H	C27H30O10	-2.59251905	18860.33133	16103.90764	13291.91893	16045.97602	11376.1712	11920.51292	13913.13894	13804.20585	12558.06027	12250.6317	14178.88663	14827.7905	18230.3379	14478.25082	16818.45604	14926.05035	13089.45359	19370.38356	15452.4568
10.07_518.3237m/z	518.3236658	10.06806667	pos	"LysoPC(18:3(9Z,12Z,15Z))"	61698	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		42.1	18.7	M+H	C26H48NO7P	-0.870145883	23550.88062	23186.11447	22255.0446	19567.0679	32938.33118	31937.65396	20520.07729	24668.18272	32458.18395	26428.49315	18420.28692	35213.70569	31330.91294	24101.16422	29193.88488	23330.38731	27344.97091	22334.14406	27574.65641
10.28_1019.6104m/z	1019.610385	10.2751	neg	PIM1(19:1(9Z)/18:1(9Z))	LMGP15010043	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositolglycans			42.1	21.8	M-H2O-H	C52H95O18P	2.525363101	17351.34188	13161.80274	20460.92283	19295.70301	23907.973	19954.09721	22341.18596	17717.6735	24101.90695	12660.88376	13398.63303	23312.50401	29218.08828	17843.35325	27015.77787	18617.6282	30646.89903	19707.93056	26669.9113
10.57_460.2834m/z	460.283415	10.57313333	neg	LysoPE(18:1(9Z)/0:0)	HMDB0011506	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		42.1	14.6	M-H2O-H	C23H46NO7P	0.139114217	25628.76513	21724.5928	25742.05726	24212.5317	18345.62326	18588.23247	28483.6951	63622.10704	63454.23148	14727.29031	23266.39208	52903.24603	17587.26283	16371.46741	33326.45708	32876.93334	36039.66918	31904.25339	14944.35216
10.88_299.2818n	322.271092	10.88211667	pos	12-amino-octadecanoic acid	LMFA01100008	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			42.1	18	"M+H-H2O, M+Na"	C18H37NO2	-2.036300243	25484.47213	19651.04188	27635.9439	28093.07421	25329.1058	25586.53273	26615.88634	27562.98054	27202.53705	25584.30361	25964.2358	18777.50733	21675.20667	25428.00617	26724.50022	28062.20114	27810.78117	29256.33493	27872.85042
11.30_271.2277m/z	271.2277195	11.29551667	neg	(R)-3-Hydroxy-hexadecanoic acid	HMDB0010734	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		42.1	17.9	M-H	C16H32O3	-0.547120509	2101.700033	2408.32445	2482.369019	2399.179734	2427.738857	2144.709134	2250.939879	1738.483226	2096.841822	2296.10006	2310.465771	2285.620662	2390.99409	2328.223399	2108.475997	2277.497538	2236.244835	2330.219968	2327.698493
11.34_612.3517m/z	612.3517093	11.33778333	neg	PS(21:0/0:0)	LMGP03050026	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			42.1	14.4	M+FA-H	C27H54NO9P	-0.198358538	24003.91333	23035.31934	24263.50344	31788.17399	22927.34588	26804.15717	21717.45514	14452.22612	23003.31212	18558.29252	24488.82768	27600.06709	35589.42242	33812.43668	27942.69249	31996.13368	26685.49346	30570.69145	30854.4387
11.66_506.3248m/z	506.3247968	11.65745	neg	LysoPE(20:1(11Z)/0:0)	HMDB0011512	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		42.1	17.7	M-H	C25H50NO7P	-0.820679293	13491.76768	13159.91647	11731.65543	11854.51096	14990.43742	13292.85978	15583.15837	9733.733056	11356.79389	11411.01653	12109.07211	13363.29709	16184.24768	15586.55805	12821.96827	13285.03626	13729.09785	11937.42864	13796.59296
12.12_538.3860m/z	538.3860458	12.11653333	pos	PC(19:0/0:0)[U]	40308	Unclassified	Unclassified	Unclassified			42.1	18.3	M+H	C27H56NO7P	-1.247603928	72675.84575	77092.60516	73677.97373	85409.70667	80338.55322	85975.74428	81213.27391	56756.56336	63477.95501	76997.52751	85097.675	72043.25837	77388.1804	73483.33154	80153.47584	86016.14294	91334.01791	93497.87373	65615.47305
15.53_164.1178m/z	164.1178287	15.52508333	pos	Myosmine	HMDB0030386	Organoheterocyclic compounds	Pyridines and derivatives	Unclassified		C10160	42.1	23	M+NH4	C9H10N2	-2.70498847	16668.19922	16064.76913	17902.85178	17746.7368	15860.48105	18042.3851	16903.47295	18156.09297	18279.3542	16746.57013	17215.35022	17383.9723	17005.50532	17367.42058	15908.42321	19108.36651	18279.52138	18546.23464	17825.07956
15.87_259.1900m/z	259.1899627	15.87186667	pos	Diisobutyl adipate	69920	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*	C14260	42.1	21.5	M+H	C14H26O4	-1.638456168	7367.07051	6067.749649	5905.876429	5996.694234	7087.198473	5841.957853	7333.106726	6183.042665	6310.263158	6068.476543	6698.283028	6387.657944	6075.745094	6514.364163	7047.515456	6715.546208	6033.795494	6701.705591	7248.926028
2.31_268.1177m/z	268.1177021	2.3126	pos	Samin	HMDB0038926	Organoheterocyclic compounds	Benzodioxoles	Unclassified			42.1	14.6	M+NH4	C13H14O5	-0.987677626	1815.977086	1841.797268	1765.061894	2485.940343	815.7773392	1218.690024	703.8687924	3400.038872	3802.306242	499.1672076	1099.560904	5477.763312	1374.77483	861.4472203	1259.962646	1474.952016	1082.939463	1769.457583	2110.77484
3.31_253.1190m/z	253.1189669	3.313233333	neg	Aldosine	HMDB0037817	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42.1	16.2	M-H	C12H18N2O4	-1.628034466	525.9219822	548.6048898	525.6376385	66.9206131	1284.396779	3610.500968	71.38745892	0.000297236	29.58501977	3825.578706	80.67981035	187.418399	0.000297236	26.39835617	189.2810897	101.6855989	176.5733401	62.0013365	0.000297236
4.10_310.1646m/z	310.1646493	4.098233333	pos	Coriandrone A	HMDB0037774	Organoheterocyclic compounds	Benzopyrans	2-benzopyrans			42.1	14.8	M+NH4	C16H20O5	-0.855820041	901.8742114	968.398204	719.4016836	284.2671845	674.2359442	8520.480503	20.77648046	114.196074	0.000297236	5567.4589	63.19825203	19.90785461	135.1983912	0.000297236	158.2854331	210.7694989	122.1638061	13.23967752	124.917302
4.65_209.0447m/z	209.044679	4.647516667	neg	5-Hydroxyferulate	64176	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	**	C05619	42.1	17.8	M-H	C10H10O5	-4.132127686	52960.5999	53910.45289	55197.34753	55764.52383	53757.81819	52598.05342	56973.35913	55229.44007	54488.68391	54317.24276	59617.64815	51883.84181	53532.37881	54172.64386	54529.37039	57952.46607	53451.70772	58357.10126	51113.76652
4.89_295.0823m/z	295.0822623	4.890966667	neg	"6-(4-ethyl-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0124984	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			42.1	16.1	M-H2O-H	C14H18O8	-0.204245008	686.4886498	556.7838837	689.2333935	76.68833653	1761.712266	2874.955248	0.000297236	1309.168995	567.0624747	1670.229041	0.000297236	855.5936444	514.7002824	437.7067149	0.000297236	73.94263083	68.97103876	42.60168095	669.4653719
5.00_363.0182m/z	363.018157	4.996833333	neg	"[5,7-dihydroxy-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid"	HMDB0126592	Phenylpropanoids and polyketides	Flavonoids	Sulfated flavonoids			42.1	20.5	M-H2O-H	C16H14O9S	0.379818317	440.0839453	379.8546713	267.0937373	85.44524213	171.4931707	245.7340433	88.39823662	65.14004928	80.12077224	4200.287062	82.85248311	109.1708242	439.8464947	61.465673	218.0952549	342.5476368	119.012911	90.62397802	85.55227909
6.12_336.2163m/z	336.2163373	6.121566667	pos	"(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide"	HMDB0031373	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		42.1	18.2	M+NH4	C19H26O4	-1.878121401	5586.946507	6554.366459	5867.536097	7203.922814	3752.156899	6265.003025	6233.946734	4826.054495	5528.546279	4809.790962	7504.575386	8764.443437	6079.664947	6597.434823	7579.128197	5313.935745	6775.702575	7956.0711	7016.972773
9.17_324.2002m/z	324.2001619	9.16825	neg	Farnesylcysteine	HMDB0011627	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	**	C19691	42.1	16	M-H	C18H31NO2S	-0.344233575	8002.909422	5151.29123	5866.115325	7216.447096	10242.91135	7965.622974	7165.099347	3859.225889	3949.112357	8697.452512	7998.310946	6313.75976	10611.45492	9334.885836	7080.18676	7623.307325	10914.13592	7453.396354	7281.065806
9.81_424.2471m/z	424.2470798	9.812183333	neg	Sphingosine 1-phosphate	HMDB0000277	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	**	C06124	42.1	13.6	M+FA-H	C18H38NO5P	0.308488217	8687.619109	7704.739622	7932.761582	8916.300212	19908.86898	7844.188405	8859.074895	4473.039668	10577.24299	8342.238683	7209.020139	14241.32307	15354.33626	9904.49805	6852.717749	6924.793617	7300.474097	6364.357355	10593.89801
9.83_311.1862m/z	311.1862166	9.832916667	neg	"4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one"	HMDB0033917	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		42.1	15.6	M+FA-H	C16H26O3	-0.679654166	1679.78644	1640.297419	1688.520245	870.3477771	1498.842672	527.9764686	2303.459672	1397.496347	900.4173234	2006.242522	531.3661476	1257.033643	464.6883616	2797.734913	4253.219478	1822.75518	656.5698703	527.9791881	2139.675739
0.48_267.2680m/z	267.2679822	0.478916667	pos	"4,14-dimethyl-hexadecanoic acid"	LMFA01020045	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			42	21.7	M+H-H2O	C18H36O2	-0.914251179	5459.727925	4606.944209	4469.708984	4749.278571	4765.564119	5037.512028	5513.023021	4541.841736	4733.321091	5493.911411	5386.822223	4605.333467	4141.184267	5387.825501	4945.250968	4993.930941	5090.101376	5380.422061	4841.460303
0.63_228.1473n	246.1811145	0.62635	pos	Isoleucylproline	HMDB0011174	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			42	14.1	"M+H, M+NH4"	C11H20N2O3	-0.566582745	73838.91896	54946.2572	57928.7369	51806.80501	57541.14267	53482.90922	54061.19412	111091.3527	63283.2284	51729.30663	47612.91503	109154.8456	54797.07501	68444.2477	73431.54972	74964.79933	62625.05763	68186.33347	57168.3213
0.78_209.0659m/z	209.0658511	0.781716667	neg	D-Manno-2-heptulose	HMDB0029935	Unclassified	Unclassified	Unclassified			42	19.6	M-H	C7H14O7	-3.928613725	11829.84702	11705.23511	11462.93615	11868.66465	13331.97956	13276.66104	10623.73355	13071.47796	15836.85597	13219.71204	10186.49818	16972.49368	14614.04073	14166.53687	11272.76669	9731.763545	11665.34184	10525.57873	14151.6461
10.34_290.1397m/z	290.1396781	10.33883333	neg	(S)-Edulinine	HMDB0030178	Organoheterocyclic compounds	Quinolines and derivatives	Quinolones and derivatives			42	18.4	M-H	C16H21NO4	-0.355869442	2674.358843	2324.432269	2379.833665	781.7534629	4996.332822	626.5000162	4483.977533	4871.933981	1712.411868	4970.317696	1389.311201	817.2824166	2513.963038	7697.350898	480.128628	396.4462536	532.5090544	725.1797373	1110.181926
10.53_534.2952m/z	534.2951902	10.52578333	pos	PC(O-14:0/2:0)	LMGP01020019	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			42	14.3	M+K	C24H50NO7P	-0.923505727	9316.282639	9407.313518	9412.66362	11104.73364	9641.520586	10088.74815	8999.973536	9619.499618	12109.69673	9716.497003	9308.925512	10775.37595	9647.504738	8842.163983	12030.39446	8840.115847	9870.128793	10724.78135	9081.400395
11.32_504.3054m/z	504.3053715	11.31513333	pos	PE(0:0/18:0)	LMGP02050038	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		42	20	M+Na	C23H48NO7P	-1.430785017	13059.80105	10137.04132	12418.05179	14986.13446	13161.91214	10105.91946	12131.60033	8993.574835	13387.97752	9449.794693	12463.31871	16733.9435	14230.60077	12038.41641	11691.38915	13437.67188	11377.01201	11592.93922	14636.494
4.12_360.2018m/z	360.2017878	4.11915	pos	Jasmolone glucoside	HMDB0032870	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			42	16.5	M+NH4	C17H26O7	0.318921412	5218.976641	5131.078971	4400.379155	2124.59983	3595.375905	5634.030225	2265.525913	24602.4544	11113.99793	3056.300011	2352.208505	3439.22844	2507.926716	2297.547819	2653.887894	2410.924101	2094.561961	3634.455526	2387.202227
4.14_233.1262n	234.1334547	4.140633333	pos	Hydroxypropionylcarnitine	LMFA07070074	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		42	13	"M+H, M+Na"	C10H19NO5	-0.619596967	20571.52358	22040.01012	20520.59874	30052.43441	13174.00399	38812.89857	23545.59073	27302.9144	17580.46697	13431.36922	14429.83056	20501.41614	24410.02199	16310.77622	19141.41968	19422.14052	18690.06291	26084.4917	24085.45736
4.64_253.1795m/z	253.1794637	4.63615	pos	Piperalol	HMDB0035767	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			42	23.1	M+H	C15H24O3	-1.417154066	10493.4944	9310.223245	8822.514615	8837.449634	8559.700262	8972.875935	8494.603114	8109.110766	10064.45974	9481.211005	9561.443328	9902.269656	8574.067034	8511.325515	9626.756626	9548.007085	9285.73127	9280.911463	8679.989538
4.66_186.1487m/z	186.1486518	4.656683333	pos	"(1S,4R)-1-Hydroxy-2-oxolimonene"	LMPR0102090042	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids		C11937	42	19	M+NH4	C10H16O2	-1.210346632	3574.341724	3461.06312	3189.295158	4173.99163	2521.912132	2069.305242	4139.98379	3346.984771	4596.958139	2271.990643	3526.692717	4292.209328	4558.477836	4036.946306	3373.534565	2669.229395	2751.518969	3741.134862	4749.99163
4.95_380.1575m/z	380.1574863	4.954616667	neg	Cis-zeatin-O-glucoside	HMDB0012203	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*	C15546	42	18.2	M-H	C16H23N5O6	-0.185718434	1590.098386	1636.280851	1763.750745	2143.766588	1564.614201	1693.796266	1236.359753	1768.898861	2028.613715	1530.368325	1705.477337	3913.602079	1367.110889	1368.931959	2005.901449	1862.283752	1691.449521	2205.288363	1848.494637
5.08_201.0217m/z	201.0217375	5.081633333	neg	3-ethylphenyl Sulfate	HMDB0062721	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			42	23.5	M-H	C8H10O4S	-4.78056581	1210.246974	1202.211585	1201.457685	1862.962007	1074.906318	658.9365742	1406.202375	2215.939816	1335.994254	731.1387909	1416.393898	1012.4596	943.965687	736.8384118	2119.250989	975.3601667	1418.999629	1196.223426	763.8529838
5.24_419.3150m/z	419.3150149	5.239933333	pos	Diisononyl phthalate	70706	Unclassified	Unclassified	Unclassified			42	19.7	M+H	C26H42O4	-1.365888649	7266.916023	7274.616489	5783.233837	7481.218459	5899.855272	7799.792915	7335.918833	7022.742845	6948.960988	7459.36844	7832.217333	5983.600474	6864.5607	6135.057395	6985.616627	10283.4241	7378.078359	6801.109163	5478.355366
1.22_388.0394m/z	388.0393618	1.220333333	neg	Progoitrin	HMDB0034071	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C08425	41.9	25.2	M-H	C11H19NO10S2	4.113773251	11038.04536	13436.04785	11320.62592	17847.30044	11022.21542	7279.276566	14293.14722	4511.618404	7607.877132	12434.44898	15786.06955	9587.918268	14256.29608	13240.68458	14570.17328	13665.06524	8724.606729	14370.18429	11297.29589
10.94_454.3883m/z	454.3882577	10.94183333	pos	3-hydroxyeicosanoylcarnitine	LMFA07070040	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			41.9	17.7	M+H-H2O	C27H53NO5	-1.756145077	51535.53667	54996.94724	49803.7192	35559.2048	66768.77837	60914.17719	53164.81065	82820.83693	73614.85945	48931.67386	38727.36413	58793.20594	54444.33144	45963.74302	44319.49444	40113.35807	46181.2101	44228.73691	45810.64681
11.23_870.5478m/z	870.5477797	11.23078333	neg	"PS(19:0/20:4(5Z,8Z,11Z,14Z))"	LMGP03010472	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			41.9	30.7	M+FA-H	C45H80NO10P	-2.916256063	353804.5222	258000.1613	288664.2126	308324.3343	304705.3147	318537.6726	333679.2345	327557.7567	310129.3926	301137.9737	309053.9561	250573.107	319414.7026	398470.3641	58368.73491	377267.1765	350285.0075	440356.4916	305834.5369
12.38_256.2628m/z	256.2627613	12.38098333	pos	"4E,6Z-Hexadecadien-1-ol"	LMFA05000200	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			41.9	15.1	M+NH4	C16H30O	-3.063572614	597640.4701	529409.0825	628299.0848	560637.8828	685776.7514	494143.5389	747920.2562	726881.4918	501780.6899	639707.5402	611218.6814	513014.9093	554640.1328	653271.5304	430963.7528	491490.5747	493201.2238	539841.2628	544676.5367
2.57_187.0843n	188.0916086	2.567616667	pos	N-(3S-hydroxy-butanoyl)-homoserine lactone	36735	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides		C11842	41.9	14.8	"M+H, M+Na"	C8H13NO4	-0.671969361	23169.80607	24860.11701	23855.10332	7126.227289	18718.011	8284.13716	7714.17584	217445.1628	37609.76513	8378.407551	7658.713536	10991.13507	9952.689168	11198.62364	11795.06674	9309.456967	13004.05288	9044.570361	9629.642014
3.60_320.1713m/z	320.1713113	3.597883333	neg	Hydroxyhexanoycarnitine	LMFA07070072	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		41.9	14	M+FA-H	C13H25NO5	-0.597650671	475.6804218	538.7029395	648.9440627	356.0603423	551.115693	474.7324952	378.4348655	1390.424309	1618.627859	299.2627195	395.0660204	736.5781041	267.5667523	416.7781757	291.3519072	359.0491993	391.3856816	190.9325719	315.9977564
7.54_229.1439m/z	229.1439453	7.541566667	neg	(Z)-3-Methyl-4-decenoic acid	HMDB0031063	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		41.9	15.4	M+FA-H	C11H20O2	-3.190328572	2672.94624	3286.80241	2826.437082	2268.830271	3458.79402	3366.332427	2125.551026	4734.835153	4257.00815	2733.265996	2721.535143	2433.93184	3439.112629	2548.028849	2542.855511	2399.649159	2504.743765	2220.353893	3374.592238
0.44_230.1879n	253.1794388	0.439416667	pos	3-hydroxytridecanoic acid	HMDB0061655	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		41.8	15.5	"M+H-H2O, M+Na"	C13H26O3	-1.13053522	112097.7036	104091.0171	99547.90357	104500.6157	97410.72938	109128.745	108977.4324	107948.582	102395.8759	108881.7177	110547.1317	101286.8254	103442.6551	104985.3657	108469.3318	109641.8978	99021.52157	111234.4271	96704.22795
0.80_342.1390m/z	342.1389934	0.798133333	pos	Lactosamine	HMDB0006591	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	**	C00203	41.8	16.5	M+H	C12H23NO10	-1.404174492	73428.77612	70150.32395	64774.8677	62129.80299	90191.62603	60577.72102	63965.42843	38547.82418	33911.30179	69150.65322	58348.42529	50953.97609	71316.4793	68999.9254	75427.78076	63684.08352	74899.1598	52403.41163	72797.23744
1.42_207.0565n	208.0638102	1.417983333	pos	S-(2-Hydroxyethyl)-N-acetyl-L-cysteine	70379	Unclassified	Unclassified	Unclassified			41.8	22	"M+H, M+Na"	C7H13NO4S	0.023520554	757.0284135	635.8052506	577.4344819	23.41756612	18.65703613	9.850343309	84.39843845	7899.570756	3088.817153	9.622240412	28.53963716	3148.025423	15.77970221	9.959704597	15.2376193	22.3899131	15.76613803	13.77821119	8.989340246
11.99_510.3912m/z	510.3911527	11.99223333	pos	2-O-ethyl PAF C-16	62939	Unclassified	Unclassified	Unclassified			41.8	16.5	M+H	C26H56NO6P	-1.273849125	211493.5759	209283.4326	207049.9105	232803.4281	206945.7325	245493.2496	230830.038	205144.1805	204589.3312	182188.5826	209223.0327	194775.3249	196573.2838	213770.9425	213268.736	218304.5541	235298.2193	212861.8855	187052.6393
2.31_285.0960n	284.0886918	2.309933333	neg	N4-Acetylcytidine	HMDB0005923	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Unclassified			41.8	16.7	"M-H, M+FA-H"	C11H15N3O6	-0.410273586	2983.525287	2572.90864	2980.763679	2644.180064	3683.422255	2583.308142	2783.890184	4329.042544	3510.34291	2176.752331	2108.013885	4943.241291	2671.728141	2466.806465	2232.602472	2277.993386	2232.799693	2695.846377	2210.366645
4.54_190.0499m/z	190.0499488	4.5414	neg	Hydroxyphenylacetylglycine	HMDB0000735	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C05596	41.8	16.7	M-H2O-H	C10H11NO4	-4.868658843	1758.090734	1707.585717	1779.260378	696.4770985	1997.617391	10657.48461	198.9330742	274.0382798	188.9574906	5510.493382	345.172751	248.3767787	358.8014859	196.9772942	800.9683336	589.6489504	2324.253221	1652.198303	197.5214454
8.81_288.2892m/z	288.2892224	8.807	pos	(±)-11-Methylhexadecanoic acid	HMDB0040598	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		41.8	14.4	M+NH4	C17H34O2	-1.788751763	24906.29176	25465.49728	24232.35689	15754.54719	12376.83846	13775.62537	15034.67704	12521.97349	11981.03765	10880.37185	18617.96425	12953.08812	13183.96994	14518.27952	13590.60641	14171.52359	14643.26177	12690.91957	15633.75097
9.25_311.1459m/z	311.1459368	9.2497	pos	N-Acetylmuramate	HMDB0060493	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C02713	41.8	15.7	M+NH4	C11H19NO8	3.56420501	603.0642837	707.1393882	398.7125626	1292.24634	1204.385194	2774.165021	3117.734934	1546.136618	2033.765195	2477.704938	4077.068236	2462.364605	3640.132326	1440.41618	1462.311377	855.7046344	1199.141636	898.9749368	2494.429691
0.82_218.1383m/z	218.1382721	0.816033333	pos	"(1R,2R,3S,1'R)-Nepetalinic acid"	HMDB0034971	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		41.7	19.4	M+NH4	C10H16O4	-2.061173354	7798.510457	7094.585553	7302.971442	5527.050896	9133.008476	3797.050249	6736.202764	30622.08075	17307.84056	4938.248041	3645.784873	6731.713475	4937.360501	3881.727155	4606.084335	4362.49441	5392.146251	6431.762002	4236.266041
0.86_392.1133m/z	392.1132969	0.85685	neg	gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine	HMDB0029394	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			41.7	16.6	M-H	C14H23N3O8S	-0.031581144	32460.25564	28822.35249	31382.54188	35958.17346	30985.29043	22006.44022	25728.34149	25982.89791	29666.58719	26765.41766	33143.59912	26378.09339	28151.34979	24138.19106	22460.46702	20536.27209	19947.92305	27553.00181	45646.61515
1.06_494.1890m/z	494.1890359	1.063433333	neg	trans-Zeatin-O-glucoside riboside	HMDB0032880	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			41.7	13.3	M-H2O-H	C21H31N5O10	-0.419225486	159200.5059	172688.0776	149809.1708	173865.5154	278602.572	254132.129	154345.8141	65428.08076	85180.01653	238913.8532	161265.4381	202457.0505	167335.3577	121013.7823	136416.8187	171987.343	173513.3463	192940.6181	140228.7549
1.08_197.1053n	180.1020211	1.079266667	pos	Metanephrine	65	Benzenoids	Phenols	Methoxyphenols	**	C05588	41.7	16.1	"M+H-H2O, M+H"	C10H15NO3	0.588500284	11238.5175	12922.14018	9776.702598	94.13047655	21030.76547	2025.636866	272.6147959	3763.372759	114747.6036	337.0298465	85.24588266	38249.93897	4442.702038	881.8121724	2066.170852	200.9548284	589.5286914	10580.03529	159.7608028
1.36_261.0537m/z	261.0537437	1.355533333	pos	"4-Hydroxyfurano[2'',3'':6,7]aurone"	LMPK12130024	Unclassified	Unclassified	Unclassified			41.7	23.5	M+H-H2O	C17H10O4	-3.153336178	27930.71173	23642.49349	25792.83558	30436.58261	22325.86313	27540.36325	19531.98261	24806.78781	26560.8231	24377.00356	23925.32547	38594.06004	21794.52181	20776.87384	23952.82588	24910.06572	26726.1621	35928.29442	30767.54902
1.46_247.1663m/z	247.1663491	1.457516667	pos	N-(3-hydroxy-heptanoyl)-homoserine lactone	LMFA08030034	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			41.7	19.7	M+NH4	C11H19NO4	4.868426527	51677.73424	57256.75645	52934.78219	58571.32371	50321.00651	51008.2723	50822.50434	49391.69057	53390.65783	54998.91392	53546.13262	56317.04286	56007.87545	57205.6367	58680.70659	57598.28818	53861.47748	60567.45324	49808.81468
5.15_297.0978m/z	297.0978436	5.146616667	neg	2-Phenylethanol glucuronide	HMDB0010350	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C03033	41.7	14.7	M-H	C14H18O7	-0.445727978	1839.233811	1933.960756	1941.673231	2588.115096	1061.775078	1463.150712	2090.261834	1837.834463	1306.178877	1256.837824	2205.600226	2162.048012	494.5636204	476.7068103	3327.987659	2687.008501	6055.138054	3155.078753	587.5662251
0.35_204.1511n	205.1584928	0.346016667	pos	"13-tetradecen-2,4-diyn-1-ol"	LMFA05000016	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			41.6	17.1	"M+H-H2O, M+H"	C14H20O	-1.646845277	10573.56107	8122.893218	8359.722415	8344.728653	7741.307808	8348.693026	8871.774109	8736.836813	8658.709759	7954.263488	8950.420023	8349.842393	8616.833341	8143.225186	8685.967963	8061.560662	7912.247159	8089.192511	7613.925739
0.80_283.0685m/z	283.0684971	0.798133333	pos	Niflumic Acid	6454	Benzenoids	Benzene and substituted derivatives	Trifluoromethylbenzenes		C13698	41.6	21.5	M+H	C13H9F3N2O2	-1.388237848	41175.4736	42738.12194	38026.35195	49700.72727	44804.73646	34996.13232	35250.00036	44984.26499	35325.07265	33703.65675	43913.742	58888.14658	35371.7521	36943.13763	47095.89496	39302.63898	40391.82369	37302.06022	51113.95427
1.26_386.0149m/z	386.0148608	1.25845	pos	CDP	HMDB0001546	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine ribonucleotides	**	C00112	41.6	13.5	M+H-H2O	C9H15N3O11P2	-0.080814404	40472.7584	45356.92174	43083.71676	48663.06982	49622.4283	57397.46582	52488.56838	31612.82151	40563.27154	47719.9931	51597.02739	23474.69308	43841.23725	38547.36798	51891.32208	47820.22381	47186.80161	43126.70411	46775.78177
1.46_262.1295m/z	262.1295283	1.4621	neg	O-propanoyl-carnitine	HMDB0062514	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*	C03017	41.6	9.93	M+FA-H	C10H19NO4	-0.380808226	44733.97475	46027.17838	45285.91162	48236.10275	38047.95569	66044.18147	39308.14847	74134.98037	77558.33592	48397.38061	40148.80291	31711.47596	39662.23715	37466.69766	38289.98919	39158.41216	39967.7872	45142.18166	35850.09577
1.46_330.1171m/z	330.1170738	1.4621	neg	N'-Hydroxyneosaxitoxin	HMDB0033665	Phenylpropanoids and polyketides	"Saxitoxins, gonyautoxins, and derivatives"	Unclassified			41.6	12.7	M-H	C10H17N7O6	0.963286088	15548.2372	15516.84201	16168.82735	16388.69609	12082.94783	23052.59352	14360.35912	25070.07737	25893.13178	16257.34262	13443.0294	10202.18149	13633.31029	12532.57761	12449.26162	13369.55261	14854.12083	15819.12684	11583.54358
1.61_258.0850n	303.0833621	1.611566667	neg	Imidazoleacetic acid riboside	HMDB0002331	"Nucleosides, nucleotides, and analogues"	Imidazole ribonucleosides and ribonucleotides	Unclassified	**	C05131	41.6	10.7	"M-H, M+FA-H"	C10H14N2O6	-0.697041153	14277.34356	15068.52229	15297.41148	16981.02138	12235.89614	12842.12233	15575.19777	15414.83764	22934.16124	11713.05523	15905.01959	22311.13228	13825.85608	15319.6871	15344.19674	14036.77346	12048.52876	14397.28495	17551.41375
11.46_508.3388m/z	508.3387816	11.46015	pos	PE(0:0/20:1(11Z))	LMGP02050046	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			41.6	16.1	M+H	C25H50NO7P	-1.940302409	21126.72741	19443.54417	18317.17732	16383.13222	19765.27552	20570.71131	22259.89223	7422.862709	6120.130581	24908.46424	19624.68676	12153.07775	21821.97064	19409.30831	19397.80181	19007.35568	21650.77461	20829.32107	24613.83059
11.66_557.2888m/z	557.288754	11.65745	neg	OHOHA-PA	LMGP20070027	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			41.6	17.2	M-H2O-H	C28H49O10P	0.452443308	17488.90497	14025.04675	14916.57527	20987.9571	26223.54186	24668.24047	21187.00465	13930.71902	12379.15037	18881.99455	20672.04977	22308.58693	18117.22138	16265.23566	19061.83322	19450.45979	18712.75846	21156.17296	17635.74874
12.35_757.3982m/z	757.3981627	12.35293333	neg	Glucoconvallasaponin B	HMDB0034327	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	*		41.6	27.6	M-H	C38H62O15	-4.525492604	5424.416312	3783.569994	6219.584796	9664.965984	7260.556327	7391.661727	7801.912502	7992.94584	5417.780135	5972.438264	8834.077894	7243.123973	9298.817991	8723.997012	7685.85045	9159.759896	11292.30131	8868.870957	8396.574642
12.67_380.1652n	379.1579176	12.6693	neg	Ecabet	HMDB0015613	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids			41.6	16.8	"M-H, M+FA-H"	C20H28O5S	-1.449269856	133877.8328	123341.7082	130916.4799	80414.55282	182403.1349	79153.67133	94244.99951	279510.7751	245397.3921	67752.34694	102646.1174	267497.2385	162429.5041	109574.6523	126185.3682	102439.9769	115636.2643	113425.7201	99341.03184
2.12_351.0241m/z	351.0240818	2.119316667	neg	"Uridine 2',3'-cyclic phosphate"	HMDB0011640	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Cyclic pyrimidine nucleotides	**	C02355	41.6	21.9	M+FA-H	C9H11N2O8P	1.885425749	452.8002393	499.7021409	459.8832645	203.0304186	103.2445854	77.0279084	82.94110924	1825.333979	2668.438005	78.51082673	0.000297236	911.9419695	318.2706966	222.9288141	85.1484517	161.941322	294.1615387	225.7176779	347.0142689
3.85_228.0871m/z	228.0871304	3.850883333	neg	"3,4,5,6-Tetrahydrohippuric acid"	HMDB0061679	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			41.6	14.9	M+FA-H	C9H13NO3	-3.363174988	1927.63478	1716.776468	1963.229671	1250.771051	2808.594324	1822.81025	1550.565762	3784.810067	2850.041804	1331.351028	1354.874023	2357.346188	1698.607153	1644.411878	1434.412732	1173.451208	1501.826439	1154.005249	1771.990498
4.28_370.2200n	393.20938	4.284433333	pos	Octaethylene glycol	HMDB0094680	Organic oxygen compounds	Organooxygen compounds	Ethers			41.6	13.1	"M+NH4, M+Na, M+H"	C16H34O9	-0.755760376	44375.97797	44126.37474	43416.39364	41282.71214	37223.29988	40405.95018	41017.2233	40126.39845	39928.0437	42067.35833	44452.40559	38855.78532	42924.1805	50100.75599	41709.26083	42892.94236	50114.82333	47369.13408	39367.70412
8.82_309.1707m/z	309.1707332	8.817716667	neg	methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	LMFA01050151	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			41.6	17.4	M-H	C17H26O5	-0.046075749	3195.968834	2951.229625	2496.274032	5390.226071	4455.744651	2336.0939	5368.693419	4619.841407	4760.371635	2302.317091	3305.267747	4539.212617	3719.381333	3469.851057	4485.276898	4681.739843	5031.092376	4520.691015	4960.068678
0.25_267.2680m/z	267.267978	0.252583333	pos	lambda isostearic acid	LMFA01020093	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			41.5	16.7	M+H-H2O	C18H36O2	-0.929330421	4868.151438	3665.615942	4010.758705	3760.019589	3605.555865	3366.982214	4262.718298	4952.423381	4073.7861	4199.740489	3550.333336	3684.68714	3927.76299	4084.322941	4060.255296	4589.089895	3690.037647	4294.619162	3607.920471
0.40_115.1119m/z	115.1118937	0.400033333	pos	(Z)-4-Hepten-1-ol	HMDB0031405	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		41.5	10.5	M+H	C7H14O	1.333660397	72010.12085	63900.95195	68482.93214	69960.02149	66693.53292	72598.11747	70254.7613	72594.26974	65164.64684	70408.63434	71407.07203	65297.13143	63730.86299	62577.10658	67795.0023	68582.08661	66682.94378	72712.28251	64455.73685
0.44_187.1327m/z	187.1326652	0.439416667	pos	"exo,exo-1,8-Epoxy-p-menthane-2,6-diol"	HMDB0041376	Organoheterocyclic compounds	Oxanes	Unclassified		C17620	41.5	19.1	M+H	C10H18O3	-1.104923848	12003.66909	11932.85548	10965.84382	12378.93352	10979.55502	12320.63904	11900.40159	11855.99986	11638.53304	12901.80646	12439.68029	10527.53787	10651.14732	10896.33357	11907.66676	11942.48979	11559.97341	11553.51784	11151.13546
0.46_275.1652m/z	275.165214	0.457466667	neg	Phytuberin	HMDB0035754	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*	C09709	41.5	11	M-H2O-H	C17H26O4	-0.18431699	27715.07807	27387.01646	26754.6897	24969.09632	27500.38771	25208.51446	26259.66456	27115.41524	26678.84777	28214.41747	27241.50265	25857.14055	27132.24641	29337.45631	27687.26964	27789.4045	25785.17461	27017.98742	25945.82654
0.73_324.0586m/z	324.0586298	0.729216667	pos	5'-CMP	3452	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine ribonucleotides	**	C00055	41.5	18.1	M+H	C9H14N3O8P	-1.540589395	64703.1044	60782.54141	59465.28374	63913.25028	56099.74161	61051.54038	69534.99859	80030.49369	81066.21366	65017.25389	69869.51711	80469.99568	66888.80883	61431.09775	64094.35381	64874.26987	64244.49441	68208.32226	60980.51244
0.83_213.1231m/z	213.1230662	0.833416667	pos	L-prolyl-L-proline	62027	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			41.5	13.8	M+H	C10H16N2O3	-1.42652034	54166.73449	56431.2497	53775.95082	54293.97478	70460.44082	66816.35217	59852.55576	57474.86624	32487.23571	73133.00424	54333.53326	34765.15305	43671.93333	43179.49897	57320.35856	49286.25463	56638.22134	61116.94472	60983.18105
0.87_153.0405m/z	153.0405244	0.870166667	pos	"6,8-Dihydroxypurine"	HMDB0001182	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	*		41.5	14.7	M+H	C5H4N4O2	-1.166667418	166579.2208	160643.4146	167695.2625	150706.063	148051.0052	164528.9015	124833.0391	169856.5056	134556.8532	158113.4379	122133.0927	228320.6494	152091.8305	147682.2943	180491.677	162588.308	175904.9866	177833.9509	192888.1825
0.88_180.0656m/z	180.065562	0.877566667	neg	L-Tyrosine	HMDB0000158	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00082	41.5	15.8	M-H	C9H11NO3	-5.824937438	82532.497	78517.41582	80652.93073	81694.85081	83474.84416	77908.82592	73843.10761	70335.41097	63816.14272	85395.94789	89866.72381	69588.11117	79841.75281	75148.54181	73051.76974	72863.98953	72820.37775	85620.61399	105931.0094
1.26_698.1678m/z	698.1677848	1.25845	pos	ADP-Ribosyl-L-arginine	HMDB0001260	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine nucleotide sugars			41.5	16.7	M+H-H2O	C21H35N9O15P2	-2.393343761	21031.13177	14577.49632	26661.00342	11501.90451	36293.95621	40653.00225	44959.83094	4199.877686	9794.210784	45405.41378	27215.34972	0.000297236	27652.60597	23139.60496	45142.88447	28220.26989	23582.97459	5745.984539	39183.54967
1.59_243.1347m/z	243.1347021	1.59115	neg	Leucyl-Hydroxyproline	HMDB0028930	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			41.5	13.7	M-H	C11H20N2O4	-1.346062821	9749.32326	10105.35072	9725.116718	8647.717962	7446.199886	7657.717895	9899.51174	8487.682556	12748.18597	7973.435613	11051.61632	21620.55264	9262.547211	9738.759005	8907.507094	7630.809144	8452.552313	9682.96025	11304.95916
10.32_398.3265m/z	398.3265349	10.31965	pos	"MG(20:3(11Z,14Z,17Z)/0:0/0:0)"	HMDB0011575	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	*		41.5	13.9	M+NH4	C23H40O4	0.130477607	6594.573507	7755.403562	7563.170313	6400.552823	6261.863047	9624.331937	4557.857803	19711.79544	21471.01015	6542.585086	4898.547494	14952.37706	6561.25677	5713.35492	3557.537897	5234.747863	5111.442228	5068.728051	4596.759851
10.44_277.1444m/z	277.1443555	10.44475	neg	α-CEHC	44825	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			41.5	15.8	M-H	C16H22O4	-0.637195299	1700.453279	1830.951734	1803.155277	1650.127215	1924.140055	1709.32681	1662.281284	1452.374664	1650.144129	3624.425126	1683.490823	1681.498796	1485.557662	1807.872304	2075.158289	1033.074266	1521.107766	1543.833796	1368.776882
10.53_279.1964m/z	279.1963563	10.5305	neg	"10E,12E,14E-Hexadecatrienal"	LMFA06000196	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes			41.5	12.6	M+FA-H	C16H26O	-0.905336211	3453.104545	3427.258106	4443.180938	6057.695008	2131.639501	5168.522344	3210.237895	1017.838737	731.540476	2269.668921	3189.693872	3087.811676	3701.813904	2973.469542	5158.732286	3402.186058	4873.727509	6784.210122	4197.208508
10.59_572.2979m/z	572.2979294	10.58955	pos	"PS(20:2(11Z,14Z)/0:0)"	LMGP03050021	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			41.5	15.9	M+Na	C26H48NO9P	3.713628317	19518.46239	20157.70055	19410.14983	27552.96119	18562.99175	21733.42665	24015.98763	8923.993104	9768.259334	15566.14047	22213.06135	16432.98779	30504.78794	27777.07253	26486.04195	23975.05854	23750.4541	26307.05861	32553.34439
10.90_246.2190n	269.2082848	10.90216667	pos	"8,8-Diethoxy-2,6-dimethyl-2-octanol"	HMDB0034557	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			41.5	14.7	"M+H, M+Na"	C14H30O3	-2.078409296	11123.639	9052.4534	10586.49113	12252.88342	11792.80659	13616.47308	15005.78596	12181.56369	12183.23219	13367.20896	16097.10134	12471.57811	11755.04549	10549.79096	12522.57563	11945.30417	10979.03886	13204.82504	13544.56085
11.00_277.1442m/z	277.1442313	10.99718333	neg	Germacrone-13-al	HMDB0036881	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		41.5	11.3	M+FA-H	C15H20O2	-1.298548024	15017.80174	14518.6584	14285.63672	14566.40358	14908.33361	15178.99296	14916.57039	14759.58868	14819.37439	15530.18362	14972.59613	15151.97881	15574.72552	15296.97499	15534.52121	15885.17495	15351.98069	15747.46042	14595.10406
11.10_243.1960m/z	243.1959557	11.1045	neg	2-Hydroxymyristic Acid	6579	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		41.5	19.2	M-H	C14H28O3	-2.508600028	1475.643814	1467.003682	1436.672378	1461.030399	1760.381767	1220.730676	1605.800232	1415.089509	1436.06338	1410.018837	1614.599221	1434.0114	1676.787783	1514.827212	1657.29684	1168.747707	1392.404056	1451.887075	1356.157108
11.48_341.3041m/z	341.3040642	11.48118333	pos	Glycidyl stearate	73128	Unclassified	Unclassified	Unclassified			41.5	18.6	M+H	C21H40O3	-2.813223057	7952.869991	8206.434974	8950.050714	10442.61486	8755.659229	9622.556993	8906.020695	5533.330634	6583.1653	6741.319184	8601.96032	8558.407954	10758.15882	10785.51961	8632.267236	9207.537515	9178.787998	9149.095384	11244.12191
11.91_327.2312m/z	327.2311836	11.91183333	pos	(±)17-HDoHE	36447	Unclassified	Unclassified	Unclassified			41.5	16.3	M+H-H2O	C22H32O3	-1.955046727	3869.529966	2631.733026	3218.267432	2706.906336	5745.883018	4807.039584	3168.874632	2459.857361	3444.217592	5798.516914	3445.752483	4214.275568	5908.127467	5629.975414	3834.648126	3643.425855	3007.614533	3235.80373	5821.72491
12.36_370.2732m/z	370.2732259	12.3611	pos	Virodhamine	LMFA00000014	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		41.5	18.1	M+Na	C22H37NO2	4.537560353	19522.4448	15230.70917	15458.22698	29762.44185	23580.82487	13979.90779	16547.95682	21843.79947	16825.57698	13889.90703	18936.30878	18529.35719	26080.72921	19521.31051	19928.3208	18202.8203	25950.47423	21446.6011	19916.56628
12.68_322.2734m/z	322.2733835	12.68373333	pos	(-)-Reiswigin A	LMPR0104530002	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids			41.5	16.6	M+NH4	C20H32O2	-2.20974373	3706.134463	2070.960797	3505.918546	2983.106361	4568.312513	3279.532054	2055.072819	7065.371011	7202.596339	2667.628256	2162.310759	6689.777992	3526.016483	2105.316002	2506.824048	2841.820324	4817.450827	4163.960388	1732.171597
13.00_367.2638m/z	367.2638205	13.00416667	neg	"12'-Apo-b-carotene-3,12'-diol"	HMDB0036054	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		41.5	13	M-H	C25H36O2	-1.176967271	48829.0187	45381.91876	49391.11382	49121.63076	50369.09516	47985.52658	52264.78672	50462.16339	51680.93882	51299.68219	53827.10984	52828.92977	53040.46228	51520.7315	49915.03616	52829.26054	50273.64888	50363.61464	53795.57062
3.22_334.1856m/z	334.185625	3.216133333	pos	"Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate"	HMDB0035136	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			41.5	12.9	M+NH4	C15H24O7	-1.276750876	30675.50133	30777.35694	29718.71888	8525.763953	24064.93711	16636.68622	7935.974119	173153.5177	124464.0703	12682.7971	9222.36948	21779.44148	13061.86455	11790.82735	7385.269381	8709.433698	8336.570449	10203.93714	11542.81764
3.87_244.1542m/z	244.1542375	3.868866667	pos	Tiglylcarnitine	HMDB0002366	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		41.5	14.5	M+H	C12H21NO4	-0.399194181	5958.106839	6170.253079	5770.743851	8508.101391	5653.269754	6788.428086	5132.398642	5461.281675	4833.273032	6424.412675	6172.213356	7767.435408	5014.189886	4888.418219	5885.392973	4837.66152	6376.955378	6411.833965	5549.236161
4.24_180.0654m/z	180.065414	4.243883333	pos	Methyl n-formylanthranilate	88422	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives			41.5	11.3	M+H	C9H9NO3	-0.589447537	4467.60344	4346.52506	4238.197049	3379.975183	4355.226671	20558.32671	2627.235713	3888.373342	2822.221873	9222.485867	2100.178254	1978.59516	1661.3438	1087.251176	4968.76494	2548.915314	3421.711499	1665.445792	2250.326394
4.47_301.1886n	302.1959065	4.470883333	pos	3-hydroxy-cis-5-octenoylcarnitine	LMFA07070038	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			41.5	12.7	"M+H, M+Na"	C15H27NO5	-0.972593814	29159.78643	29188.67834	30146.84834	11731.90649	18357.48162	27002.91559	11158.31899	146459.589	85360.37837	16700.28297	13503.84079	45644.92274	14871.52074	14334.10198	12931.81423	9563.95335	11528.13433	10010.58148	14899.16597
4.62_266.1020m/z	266.10201	4.616083333	pos	N-Phenylacetylglutamic acid	HMDB0059772	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			41.5	13.4	M+H	C13H15NO5	-1.090358337	1080.227067	1038.376845	889.3806622	838.2211521	835.4167583	573.5189393	622.3758827	3475.018909	2092.308424	140.0055742	513.0089876	2710.174054	831.125263	996.6015382	635.2993651	534.7896993	676.2721287	951.3464616	525.7023423
5.51_199.0966m/z	199.096595	5.513133333	neg	alpha-Carboxy-delta-nonalactone	HMDB0030990	Organoheterocyclic compounds	Lactones	Delta valerolactones	*		41.5	17.9	M-H	C10H16O4	-4.935096098	4034.244683	3935.170431	4376.282995	3360.640526	4365.889197	4453.703049	3234.340496	7542.617817	5998.46036	4261.401757	3074.009496	4412.748235	3356.082781	3298.703819	3036.374765	3145.090032	3634.75307	3514.368069	3360.79746
6.93_393.2645m/z	393.2644683	6.9307	neg	Tridecyl phloretate	HMDB0035477	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		41.5	12.3	M+FA-H	C22H36O3	-0.515587765	2782.418954	2356.221009	2476.509032	4700.444372	730.2639834	802.1323025	3094.671866	113.309682	69.9979615	2671.639212	3370.505547	27.6060067	1088.612747	1260.94275	10025.06484	3787.24715	6264.346724	9196.998241	947.9986152
8.53_223.1333m/z	223.1333242	8.530116667	neg	2-Carboxy-4-dodecanolide	HMDB0030987	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	*		41.5	15.8	M-H2O-H	C13H22O4	-2.658845985	2305.45962	2433.290239	2443.762651	2434.320516	2189.891398	1708.032663	2199.525714	2188.38713	2152.433279	2457.521344	2755.172178	1981.526261	2140.131924	2224.655767	1869.513557	2288.078101	2266.925414	2259.273426	2039.239671
0.03_211.1187m/z	211.1187044	0.025633333	pos	4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone	HMDB0062376	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C19564	41.4	12.3	M+NH4	C9H11N3O2	-1.283125621	78568.92391	118135.2077	91406.5577	107051.8241	125839.2408	110978.9019	93815.77241	86159.88631	92940.67986	114556.7942	127143.3108	106422.3	89405.73777	70719.80419	81442.29034	83543.58563	71551.59006	84378.82648	80535.16272
0.76_247.0932m/z	247.0932164	0.764266667	neg	Alanyl-Hydroxyproline	HMDB0028688	Unclassified	Unclassified	Unclassified			41.4	13.2	M+FA-H	C8H14N2O4	-1.69910272	17034.76656	17392.23627	15691.4525	11589.73158	21226.01049	14928.52511	17808.93664	17076.15275	18501.40663	20746.38266	14840.92229	15317.13472	16942.92573	19534.07388	16388.48361	17648.25477	18812.67582	13067.70011	17309.61124
0.76_325.0517m/z	325.0516845	0.764	pos	"(2R,2'R)-3,3'-disulfanediylbis(2-acetamidopropanoic acid)"	65468	Unclassified	Unclassified	Unclassified			41.4	20.1	M+H	C10H16N2O6S2	-1.759404578	61885.49321	65223.8857	60459.42832	81723.48537	31144.20508	49545.31593	29957.0964	76517.46681	76528.51934	30232.37166	52166.73987	105034.7286	42507.18077	31184.76114	55187.71711	49829.7097	57732.35925	75682.91108	82831.77813
10.23_303.2327m/z	303.2326709	10.23283333	neg	omega-3 Arachidonic Acid	62952	Unclassified	Unclassified	Unclassified			41.4	14.7	M-H	C20H32O2	-0.930031691	2789.396008	2771.843876	2803.203961	3130.558614	3238.501566	4475.804322	3066.825699	3819.019956	4534.373442	3299.287147	3220.371217	4022.211036	2890.195835	3030.704635	2732.176294	2657.050202	3010.076965	2981.461725	2450.997769
10.32_281.2120m/z	281.2119557	10.31815	neg	"3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol"	HMDB0031851	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		41.4	13	M+FA-H	C16H28O	-1.111986071	4123.907409	4079.80886	3933.429142	7945.463795	2920.176104	5443.217012	4138.037521	3087.388352	1096.520267	3341.158785	3602.039981	2781.352123	3105.571215	5378.789016	5331.549221	4837.338019	6006.441289	6310.790622	4906.225675
11.25_531.2728m/z	531.2727728	11.25258333	neg	"1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphate"	HMDB0062310	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	*		41.4	10.4	M+FA-H	C25H43O7P	-0.144893211	44021.85258	38744.89637	38841.66404	41352.46247	62742.71647	70286.06265	43498.12127	74240.23724	56186.67916	48132.47286	38224.87631	52909.79185	33673.42342	29149.368	45175.4356	46053.11518	49169.26211	52475.5431	36369.58093
11.55_507.2723m/z	507.2723406	11.5504	neg	"LysoPA(20:2(11Z,14Z)/0:0)"	HMDB0114758	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	*		41.4	12.4	M+FA-H	C23H43O7P	-1.087356355	46203.45836	43954.83331	43686.7331	38935.33627	62207.79505	45086.58473	40031.4181	82074.15075	61556.35156	36162.74585	37272.70597	80931.51315	40623.63848	34291.98288	45816.06552	51333.007	49817.66642	55999.20083	39122.61006
12.40_503.3332m/z	503.333202	12.40245	pos	"3alpha,7alpha,12alpha,24-tetrahydroxy-24-methyl-5beta-cholestan-26-oic acid"	LMST04040001	Unclassified	Unclassified	Unclassified			41.4	23.1	M+Na	C28H48O6	-2.306494617	51928.52257	36813.91337	52756.62038	46296.34724	41652.36511	46319.44453	49829.3598	47639.14067	42837.8295	44516.4624	45630.49632	40861.48021	47188.31352	43546.7926	48766.95362	47436.15765	46839.14712	44193.93497	43917.14135
12.69_509.2880m/z	509.2880074	12.69031667	neg	1-(11Z-eicosenoyl)-glycero-3-phosphate	HMDB0062305	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	*		41.4	14.2	M+FA-H	C23H45O7P	-1.046587441	71555.25135	73137.80421	67019.39917	73242.62404	141413.1644	131449.459	70508.33972	65767.43982	57620.23398	82004.21805	67058.37419	68231.11894	95098.90106	73927.37683	69314.31685	75194.65229	67765.96642	78705.95884	89793.41316
15.74_110.0714m/z	110.0714207	15.73598333	pos	Brunfelsamidine	68140	Unclassified	Unclassified	Unclassified			41.4	14.5	M+H	C5H7N3	1.348422405	182634.2798	193754.3654	189187.5307	190391.2885	159657.386	168291.58	178876.3311	165113.3844	159717.3078	175662.3691	177859.9178	179625.2821	176951.8527	178648.6339	192629.4338	196537.0124	177899.1472	180990.9003	171748.3427
2.49_205.1546m/z	205.154575	2.488916667	pos	7-oxo-8-amino-nonanoic acid	LMFA01060168	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates	**	C01092	41.4	10.7	M+NH4	C9H17NO3	-0.501861613	4199.531393	4244.493924	4282.685564	1673.927571	1654.758917	1829.808115	1768.581599	10596.29769	24923.58839	2138.261941	1566.848611	13596.37966	1663.659079	1839.364782	1905.874478	1982.525741	1851.512523	1906.477405	1490.780257
2.50_225.0874m/z	225.0874273	2.5002	neg	Porphobilinogen	HMDB0000245	Organic nitrogen compounds	Organonitrogen compounds	Amines	**	C00931	41.4	14.8	M-H	C10H14N2O4	-2.889286764	2821.384443	2660.325693	2925.623564	3169.130229	2853.347668	3152.491699	3186.161077	2736.001043	2969.546955	2412.265917	2729.556033	3236.460485	3034.859734	3115.668687	3009.867576	2792.615793	2722.849709	2546.8411	4126.887863
2.74_505.1741m/z	505.1740694	2.743033333	pos	Levan	HMDB0003539	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01355	41.4	20.2	M+H	C18H32O16	-4.446791192	8851.053416	9126.515917	9364.965689	13500.51346	5413.451072	8800.863834	11860.10457	3790.478288	5225.790713	8163.051555	8760.561442	13049.47411	14683.05381	11025.06142	5870.789672	6018.974899	4940.13915	9387.570575	8492.303436
3.53_356.0475m/z	356.0474898	3.534466667	neg	Butyl glucosinolate	HMDB0038426	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			41.4	20.6	M-H2O-H	C11H21NO9S2	-1.17943991	15082.28967	16029.91422	15862.82291	15620.01159	15318.79387	15461.249	15960.80128	15135.96663	14698.93281	16338.46044	16861.15485	15322.80459	15310.87318	16774.68237	16355.94466	16204.30368	16059.50204	16564.49948	15916.62827
3.91_292.1190m/z	292.1190339	3.912883333	neg	Domoic acid	HMDB0033939	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	*	C13732	41.4	23.6	M-H2O-H	C15H21NO6	-0.039644211	384.4778403	390.9181205	471.0988235	268.6887044	92.4328566	325.8409715	90.50159765	1131.756677	931.7451133	171.3235377	202.6052125	1226.086616	312.9641538	204.3266059	281.747854	257.3373112	393.7956491	514.9317774	408.7252137
4.24_105.0338m/z	105.0338337	4.243883333	pos	Benzoic acid	HMDB0001870	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	***	C00539	41.4	14.2	M+H-H2O	C7H6O2	2.806843393	2977.048184	2567.222984	2718.588697	2613.032386	2710.53882	5479.009423	2272.794688	2652.432316	2502.487745	3724.609426	2457.873095	2224.893786	2139.249182	2033.182517	2659.250751	2402.089658	2487.794827	2242.560605	2130.052632
6.70_215.1281m/z	215.1280686	6.703616667	neg	Caproleic acid	LMFA01030033	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		41.4	15.8	M+FA-H	C10H18O2	-4.785140941	1567.728178	1694.18343	1773.849682	1804.494573	1617.75193	1511.585895	1813.968704	1792.085227	1637.57125	2084.635181	1775.868747	1657.603285	1892.837527	1703.334632	1664.206761	2174.46721	1653.349005	1921.948018	1582.122294
7.78_394.2720n	393.2647555	7.783116667	neg	Norhyocholic acid	LMST04060022	Lipids and lipid-like molecules	Sterol Lipids	Bile acids and derivatives			41.4	11.3	"M-H, M+FA-H"	C23H38O5	0.273034097	25461.75438	23051.88529	23303.16753	14090.82146	14525.47635	1927.422646	15075.32481	4249.892191	35071.71837	7303.97409	16102.41889	27891.91337	10465.03573	24777.71007	101048.0388	11458.71036	26951.22014	45181.64034	14770.89482
0.03_112.0507m/z	112.0507193	0.025633333	pos	Cytosine	HMDB0000630	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C00380	41.3	11.7	M+H	C4H5N3O	1.631106947	50590.53556	49752.16573	51333.37175	54989.72476	48969.12744	47816.44646	53011.46432	55605.44738	53500.97763	50991.40544	54169.25341	46595.94306	53341.56287	50138.34207	52066.35876	52781.90207	52367.10197	59085.82573	50304.70619
0.80_317.0319m/z	317.0319292	0.801	neg	nicotinate beta-D-ribonucleotide	HMDB0059646	Unclassified	Unclassified	Unclassified			41.3	14.8	M-H2O-H	C11H15NO9P+	3.950660984	44262.45129	30407.59444	38935.36188	46771.15686	59187.99135	32225.45422	60884.93998	35437.3724	59613.63608	57570.51673	59259.72027	34253.14139	59485.63944	67920.12815	50587.8089	41057.91464	55340.69104	27618.98373	38967.85197
0.84_311.0618m/z	311.0618016	0.837816667	neg	"3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]propanoic acid"	HMDB0125085	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			41.3	13.8	M+FA-H	C9H14O9	-0.688861125	18398.16716	19750.50822	16775.32595	18820.79841	23444.58207	11602.66102	26118.75337	18143.75966	20699.35824	12039.53634	19964.52122	19426.13557	31047.64377	20353.81134	13268.01774	12150.50714	14804.64555	10041.38546	13574.0444
1.26_430.0875m/z	430.0875489	1.25845	pos	"(6-carboxy-3,4,5-trihydroxyoxan-2-yl)[3,5-dihydroxy-2-(3-hydroxyphenyl)-7H-chromen-7-ylidene]oxidanium"	HMDB0125154	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			41.3	18.7	M+H-H2O	C21H19O11+	-4.247979043	50194.89845	55618.70781	52443.4835	60755.27109	65145.70445	91265.93025	87806.18496	19471.04244	35022.10893	71248.09918	74403.8581	12146.95599	61678.64202	49501.86098	64214.33389	65408.83441	51421.77954	47756.1619	57730.5783
1.55_352.1340m/z	352.1339622	1.554083333	pos	"(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside"	HMDB0029404	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			41.3	14.9	M+NH4	C12H18N2O9	-3.272964447	12433.8455	13048.03464	12333.75973	14773.53899	10812.48003	11181.99405	15614.66866	14171.29346	18615.3806	11992.14559	14871.62277	14627.70427	10374.76929	11890.42169	11723.71079	12580.13219	11322.89228	10867.33597	11403.04262
1.65_244.9752m/z	244.9752224	1.6536	neg	"2-[3,5-dihydroxy-4-(sulfooxy)phenyl]acetic acid"	HMDB0130454	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			41.3	20.6	M-H2O-H	C8H8O8S	-3.502700106	549.7798417	450.5727587	550.7652568	260.7489609	59.99293613	388.952972	47.10661656	1283.980514	912.6358783	68.29614078	169.1163967	2195.785762	294.5582395	244.6101859	178.328391	303.2476479	434.5674542	647.770156	430.3239544
1.99_281.0890m/z	281.0889929	1.9918	neg	Didanosine	HMDB0015037	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	"Purine 2',3'-dideoxyribonucleosides"		C06953	41.3	12.6	M+FA-H	C10H12N4O3	-0.636132824	1767.928409	1809.45482	1596.155424	1946.127458	1529.410196	1269.563549	1508.289511	2080.973972	1664.571784	1045.249373	1162.778797	2416.797185	1591.569045	1502.505283	2389.31788	2071.268222	1687.85739	1669.178957	1926.907308
11.04_466.2938m/z	466.2937615	11.04015	neg	1-(2-methoxy-6Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine	LMGP02060017	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			41.3	10.9	M-H	C22H46NO7P	-0.324253704	19627.76779	18572.55909	19686.24852	22322.33311	18828.42486	18372.29595	20815.52132	15301.41617	18842.62899	14224.00733	20927.85498	21463.89431	22473.70525	19743.38152	23004.06003	24198.50018	24326.40812	21592.64157	18217.62372
11.11_304.1538m/z	304.1537554	11.10751667	pos	7-Hydroxyetodolac	HMDB0060544	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives			41.3	21.7	M+H	C17H21NO4	-1.910478871	64421.43268	53182.81865	64712.90656	69580.89799	61484.79778	58395.7029	70519.83738	73103.77634	57965.49232	62674.95408	69892.67795	54960.22273	60537.25913	57328.47321	48105.60307	56517.40957	56851.16653	76106.90388	64578.7811
13.05_282.2209m/z	282.2208839	13.04641667	pos	2-Undecyl-4(1H)-quinolinone	HMDB0032996	Organoheterocyclic compounds	Quinolines and derivatives	Quinolones and derivatives			41.3	12	M+H-H2O	C20H29NO	-2.481250846	120349.2582	99337.83852	111311.4611	114028.6591	114436.7839	115360.6936	118306.8035	113187.8702	122500.8567	121545.9501	124703.0374	102793.5373	110391.1456	107047.6613	111531.3287	115409.5471	111732.5014	118533.2475	104604.5466
15.48_385.3458m/z	385.3457668	15.48401667	pos	delta-tocopherol	LMPR02020066	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	**	C14151	41.3	13.6	M+H-H2O	C27H46O2	-1.803446317	1401.630951	1971.991387	2201.833591	1745.826335	1584.985692	2577.214978	1651.854552	2964.831246	962.7029034	3453.105118	1867.054986	3497.992328	4542.525027	2763.217022	861.1223557	2204.010221	3113.261718	1576.005372	2520.979926
4.14_263.1388m/z	263.1387893	4.140633333	pos	Tyrosyl-Valine	HMDB0029118	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			41.3	9.82	M+H-H2O	C14H20N2O4	-0.819341273	21777.23755	24165.53823	24128.40728	25822.52287	24035.79317	28692.83489	22716.47716	24267.45719	17588.36316	28476.93623	24819.46794	16287.82643	20317.92036	21116.44089	23003.03631	23128.72057	24850.97032	24914.76955	26624.20008
4.28_342.1910m/z	342.1910107	4.284433333	pos	Blumealactone C	HMDB0035357	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		41.3	24.8	M+NH4	C17H24O6	-0.318743856	1579.473432	1506.858072	1795.481838	2431.547975	890.5075234	2605.063303	2304.294785	325.7825049	1054.979191	1741.272202	2774.921197	1535.001728	1489.879257	639.3933239	1540.503764	1765.106708	1960.436547	2628.751092	526.3711753
6.70_359.1863m/z	359.1863395	6.703616667	neg	Kahweol	HMDB0035602	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids		C09893	41.3	11	M+FA-H	C20H26O3	-0.184938092	2530.66005	2771.376733	2686.655517	2149.9722	1519.304145	6197.176834	2452.582516	8611.542715	2737.987808	4735.717104	2396.147021	1449.887201	1381.164152	1579.619257	1916.734795	2521.547579	2819.872316	2442.093055	1043.676637
9.75_526.3132m/z	526.3131688	9.750733333	pos	POV-PA	LMGP20070015	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			41.3	16.7	M+NH4	C24H45O9P	-1.527545451	78388.52798	78992.85723	104479.9785	95172.8404	94170.3816	84787.04714	89052.83734	79248.39713	79647.48706	77262.00765	73961.77078	96808.39467	105305.6949	92548.77227	88419.05767	92616.23382	104225.5958	117472.4055	99191.45018
9.77_316.3204m/z	316.3204464	9.77185	pos	Nonadecylic acid	LMFA01010019	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C16535	41.3	13.4	M+NH4	C19H38O2	-1.875985647	21185.99431	20726.71666	20284.90942	13750.3045	9698.264196	11260.53381	10851.32189	11813.58632	10382.63873	8286.82758	14449.54815	11798.03897	10745.49159	12113.44725	11019.61995	9962.357827	10524.67905	10103.96388	12964.76226
0.44_126.0307m/z	126.030737	0.435666667	neg	1-Methyl-4-nitroimidazole	HMDB0060659	Organoheterocyclic compounds	Azoles	Imidazoles	**	C16621	41.2	12.5	M-H	C4H5N3O2	-1.282789137	2693.726297	2288.829338	2388.956553	2365.731681	2242.666733	1938.604017	2433.730615	2046.571978	1925.656739	2248.803493	2059.569449	2949.919695	3664.058627	3024.593625	3143.228172	2512.753757	2490.376512	2742.160817	2197.431345
0.44_229.2159m/z	229.2158951	0.439416667	pos	3-Methylbutyl nonanoate	92373	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		41.2	12.6	M+H	C14H28O2	-1.36470729	56868.82715	55324.89632	54098.78806	53065.9845	52989.62132	57219.72299	54707.5523	57162.43786	53321.60465	66104.85114	55672.50547	65506.28555	61251.86726	61614.73404	59091.71298	58106.78245	53454.26305	57393.85377	53126.87916
0.73_353.0892m/z	353.0892382	0.7299	neg	"4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)"	HMDB0040692	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives			41.2	20.1	M+FA-H	C15H16O7	4.649447915	72335.1888	59908.51706	58650.2169	119884.5706	47711.48623	56266.2314	50232.16285	84257.61598	55514.19379	54221.92353	88532.36369	81470.48554	54622.27718	55497.64066	56881.98697	89538.69334	59582.75587	100369.4659	61628.54083
0.80_494.1892m/z	494.1891948	0.801	neg	Validamycin B	HMDB0036593	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			41.2	12	M-H2O-H	C20H35NO14	2.496269407	41381.41676	49857.84844	45767.68279	50974.13147	81337.13304	66181.07156	42291.76606	15320.74533	19283.14676	62837.34233	49009.08273	47487.1182	43729.24523	30356.02448	33343.20957	37934.31721	46299.24615	42573.06279	41028.35159
1.30_492.1734m/z	492.1733503	1.296916667	pos	trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester	HMDB0033694	Phenylpropanoids and polyketides	Isoflavonoids	Furanoisoflavonoids			41.2	17.5	M+NH4	C20H26O13	4.606086937	18065.51778	19235.3712	18878.86488	19227.16274	9939.568296	14863.96465	16639.95185	11694.49839	11021.27535	10522.63648	15390.14837	9706.400818	16961.71307	17421.01205	9414.622437	15057.76779	16479.02257	17806.59828	23058.18335
10.61_530.2874m/z	530.2873588	10.61115	pos	"PS(20:3(8Z,11Z,14Z)/0:0)"	LMGP03050022	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			41.2	11.3	M+H-H2O	C26H46NO9P	-0.679022488	22182.95142	15922.58224	18015.61575	13781.90969	20875.85765	16830.83703	18047.57461	9326.275317	9199.961368	16264.70158	16488.39162	9304.295267	15294.97699	15032.44178	19350.01788	19190.50993	18625.29996	12581.34089	13987.9115
10.78_426.3570m/z	426.3570006	10.7763	pos	3-hydroxyoctadecanoylcarnitine	LMFA07070043	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			41.2	19.2	M+H-H2O	C25H49NO5	-1.770105889	12755.00798	12572.16344	12109.33011	8689.053031	10243.71592	15323.63544	9705.701693	26728.5331	21228.82604	9571.845854	8548.88871	17104.24783	14143.49815	13271.44289	7317.476959	9025.696966	9591.230166	8802.207897	8700.359621
11.30_450.2988m/z	450.2988019	11.29551667	neg	1-(2-methoxy-14-methyl-pentadecanyl)-sn-glycero-3-phosphoethanolamine	LMGP02060014	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			41.2	13.5	M-H2O-H	C22H48NO7P	-0.418779955	5392.360034	5120.125593	5351.59237	5685.132443	4760.855803	5156.452462	6449.561741	6358.605215	6644.465626	3579.482324	5836.103552	7818.883903	5915.970402	5466.297236	6889.638973	6509.604673	6521.361625	6235.204963	3676.78535
12.44_332.2918n	355.2809525	12.44303333	pos	1-O-(2R-hydroxy-hexadecyl)-sn-glycerol	LMGL01020063	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols			41.2	12.1	"M+NH4, M+Na, M+H"	C19H40O4	-2.441164463	8098027.936	6518234.002	8310165.354	8374590.319	7919552.008	8059641.717	8293201.682	8214366.196	7954829.328	8259902.61	8377823.699	7255269.793	7797621.627	7805845.037	8167388.205	8605504.573	8332833.806	8549250.326	8224459.456
13.85_256.2629m/z	256.2629072	13.84998333	pos	Palmitamide	LMFA08010009	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	*		41.2	12	M+H	C16H33NO	-2.287442233	24987.94513	18698.00661	27510.43071	27776.59286	25380.38095	25718.77196	26959.63723	24917.87025	27564.12689	26838.11345	27447.08856	21778.40072	25437.95148	23119.36375	23382.01443	26160.5319	26652.22083	28487.40891	25053.4898
2.06_331.1644m/z	331.1643917	2.057533333	pos	"3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one"	HMDB0134791	Phenylpropanoids and polyketides	Stilbenes	Unclassified			41.2	18.4	M+NH4	C18H19NO4	-2.688772716	26552.13231	30081.49113	29483.74009	32903.77954	29674.66391	24979.47538	26809.31626	21524.27519	20242.88419	22272.12341	25693.07711	26493.43086	30869.84038	31848.11216	45443.5843	38309.24326	35482.26686	38709.93423	56924.32235
2.45_250.0932m/z	250.0932035	2.450283333	pos	Zidovudine	HMDB0014638	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	"Pyrimidine 2',3'-dideoxyribonucleosides"	**	C07210	41.2	19.3	M+H-H2O	C10H13N5O4	-0.981472029	91007.42432	97214.89812	92821.37149	114304.8596	102563.0647	127594.6117	111479.1296	88113.53414	81983.17589	120523.0364	102879.7231	61212.27445	82354.26866	80663.46755	95801.11205	81894.56841	88098.33164	90272.81784	86056.91539
4.92_264.1259m/z	264.125904	4.92085	pos	Bisdesethylchloroquine	3187	Unclassified	Unclassified	Unclassified			41.2	37.4	M+H	C14H18ClN3	-1.13135486	632.1787525	786.1045819	880.4967954	675.5421253	883.9635324	599.5929757	561.0784763	2435.419262	1444.471681	507.6938903	514.5892549	359.1171408	683.3037687	730.3542734	719.9798522	497.2493178	717.1443413	769.4633814	611.3316524
5.62_310.2004m/z	310.2003573	5.618966667	pos	"(2E,5Z,7E)-decatrienoylcarnitine"	LMFA07070016	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			41.2	12.3	M+H	C17H27NO4	-2.99960248	8141.405077	8558.357155	7937.544646	8530.802674	4829.4357	7251.168625	7791.400138	7070.883714	7716.804316	6491.854703	8536.524133	11716.97863	6303.192859	6116.645629	6896.806703	7297.649303	7737.53673	8117.337922	7838.188669
6.40_191.1037m/z	191.1037052	6.4012	pos	4-Isopropyl-3-cyclohexene-1-carboxylic acid	HMDB0037175	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		41.2	15.5	M+Na	C10H16O2	-3.243295423	27177.74798	20220.693	21567.28869	20954.22591	20733.7689	22092.96989	20826.94063	20522.86815	20747.62412	22675.03553	27397.46804	24040.91987	21209.25867	19818.00794	20560.23131	19368.8675	19365.17399	19889.64479	18690.77137
6.70_394.2719n	393.2646378	6.703616667	neg	Nor-alpha-muricholic acid	LMST04060025	Lipids and lipid-like molecules	Sterol Lipids	Bile acids and derivatives			41.2	11.6	"M-H, M+FA-H"	C23H38O5	-0.02549719	10078.82742	10251.61862	10027.60127	17104.94563	8109.78841	1600.172569	16042.39401	484.8906005	13889.99081	5714.43653	19819.02074	12739.0813	6694.759546	19587.85167	9030.820673	9719.485767	20689.7788	15044.53078	5917.087045
9.83_460.3281m/z	460.3281129	9.832916667	neg	2-Hydroxyhexadecanoylcarnitine	LMFA07070113	Unclassified	Unclassified	Unclassified	*		41.2	10.3	M+FA-H	C23H45NO5	0.328655722	4037.82735	4025.904349	4232.675575	3217.66791	6121.702024	5775.079711	3013.269941	10014.73053	9701.707887	3614.738395	2651.826903	6371.756657	5777.668538	6215.698666	3719.832927	3055.457773	4213.981846	2873.614364	3315.977701
0.42_256.2399n	257.2470809	0.418316667	pos	Myristic Acid ethyl ester	45004	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		41.1	11	"M+H-H2O, M+H"	C16H32O2	-1.458914447	203422.9959	171615.2609	191205.7387	197423.671	189286.6591	202660.3877	205179.7085	208742.1494	208588.5883	209920.6078	207189.2893	180049.4445	182447.4942	181220.7329	202172.2958	205215.2789	187952.0638	210703.0849	198208.4331
0.61_215.1026m/z	215.1026172	0.60835	pos	Threoninyl-Hydroxyproline	HMDB0029062	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			41.1	15.6	M+H-H2O	C9H16N2O5	-0.069748584	30926.10154	26889.11686	27936.91911	22573.02737	30626.74756	30172.22389	19263.49143	38710.07677	28919.20816	26498.91335	20770.36584	43704.81374	27417.17589	21440.57332	22994.17123	23247.03276	24936.09808	30413.1868	28330.01014
0.68_162.1236m/z	162.1235798	0.677733333	pos	Adipamide	LMFA08010017	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			41.1	9.1	M+NH4	C6H12N2O2	-0.855946801	24543.6158	25418.75132	34995.71191	45796.4584	6517.302914	26678.42529	7107.986714	20184.18716	13781.60148	6515.835064	15748.48047	54338.10893	21530.87105	11837.64161	28061.76337	26055.36863	23249.34961	60562.11055	59416.06502
0.71_261.0845n	284.0793206	0.712233333	pos	Dihydromaleimide beta-D-glucoside	HMDB0030277	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			41.1	11.6	"M+NH4, M+Na"	C10H15NO7	-1.508598984	284460.8905	313052.4039	297729.8397	220905.2437	330894.8324	290462.0163	403668.1602	189784.2602	262224.8499	510185.7653	306936.2099	223152.5354	344148.5923	469930.2487	276770.8564	341495.5861	319959.6995	189049.8498	272495.619
0.73_383.0998m/z	383.0998463	0.7299	neg	"3,4,5-trihydroxy-6-{[(2E)-2-methyl-3-phenylprop-2-enoyl]oxy}oxane-2-carboxylic acid"	HMDB0133621	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Cinnamic acid esters			41.1	19.9	M+FA-H	C16H18O8	4.365129523	166634.0776	153892.9731	160897.1594	143043.9482	172754.6988	155043.0486	139616.1446	158335.5221	161945.8958	181643.4989	158333.2311	127889.7274	184408.347	174381.8307	166218.8854	138364.1208	144680.8578	175227.4075	146572.7748
0.76_221.0892n	266.0879705	0.764266667	neg	N-Acetylgalactosamine	HMDB0000212	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01074	41.1	14.2	"M-H, M+FA-H"	C8H15NO6	-3.454575354	25399.96727	28938.69021	27411.31109	25741.23078	20763.20199	25613.08124	25444.4619	27665.26293	29807.10219	25414.54399	23221.41161	32325.7922	26357.63356	28235.71128	26179.95351	26417.70837	26910.52846	30462.31583	33246.78284
1.36_205.0640m/z	205.0640319	1.355533333	pos	L-Cystathionine	HMDB0000099	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C02291	41.1	12.5	M+H-H2O	C7H14N2O4S	-0.485359193	7003.759346	7610.757553	7513.28007	4591.70951	6079.720839	5243.87212	4300.825403	16244.74028	17270.12886	3815.829394	3785.654809	16344.69708	8737.260286	7678.491162	4464.787873	4217.417415	6736.974926	4540.528935	6283.707713
10.32_339.2500m/z	339.2500166	10.31965	pos	MG(0:0/15:0/0:0)	HMDB0011532	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	*		41.1	13.8	M+Na	C18H36O4	-1.782571804	6581.789652	6879.481696	7369.663856	6291.785059	6974.519254	6141.581511	6061.888538	6027.557176	5879.962442	5960.35561	5816.463896	7241.46428	6518.592876	6946.438059	7492.828954	7509.722504	6265.519388	6207.345685	5165.803168
10.38_444.3676m/z	444.3676026	10.38106667	pos	12-Hydroxy-12-octadecanoylcarnitine	LMFA07070028	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		41.1	12.9	M+H	C25H49NO5	-1.685891788	60964.67648	64903.1003	63615.13136	48068.99256	60592.24706	79621.25299	47846.8477	115262.5819	93764.97978	46712.89276	50756.75478	82960.69534	79320.96421	84073.04126	42427.55964	55309.07976	61469.09821	47561.79481	57747.25631
10.55_231.1587m/z	231.1586611	10.5469	pos	Dibutyl succinate	72884	Unclassified	Unclassified	Unclassified			41.1	12.6	M+H	C12H22O4	-1.844349177	11844.06904	9689.600955	10499.84589	11374.05037	9815.101342	10089.27006	9986.468815	10920.17478	11201.38135	11238.17376	11150.36072	10615.43659	10191.81677	10767.59884	11916.92718	10190.8434	10670.76777	10942.64086	10785.84746
11.19_345.2433m/z	345.2433207	11.1889	neg	"Taxa-4(20),11(12)-dien-5alpha-acetoxy-10beta-ol"	LMPR0104390006	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids		C11898	41.1	15	M-H	C22H34O3	-0.571348898	3294.893574	4272.797448	3509.853139	2519.317933	1238.228148	2995.16246	1863.868988	8933.096102	4808.052237	1618.732569	2474.914841	6742.866918	1228.927388	1759.588009	1988.049232	2522.531552	3324.029872	4053.167097	3143.113084
11.83_466.3306m/z	466.3306139	11.82706667	neg	PE(O-18:0/0:0)	LMGP02060003	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			41.1	11.8	M-H	C23H50NO6P	0.674837782	11184.363	10655.95173	12611.31644	14444.48484	13378.93413	9660.79487	16365.98704	5338.626985	9673.785888	8032.945145	13203.22522	15554.11083	19654.49563	17828.02891	10180.22622	12413.72209	10397.89042	11776.00086	14723.47901
12.83_102.1279m/z	102.127924	12.8272	pos	Triethylamine	70265	Organic nitrogen compounds	Organonitrogen compounds	Amines		C14691	41.1	10.8	M+H	C6H15N	1.958662372	7582.044874	7251.373006	7568.880341	7968.820855	7623.611383	7759.977494	7632.766983	7862.4202	8270.338979	8161.522747	8256.734794	7272.323647	7805.669871	7438.081078	6955.006422	7739.1052	7735.966829	7982.319057	7789.969691
3.51_365.1351m/z	365.1351331	3.51475	neg	Formylfusarochromanone	HMDB0038970	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			41.1	12.5	M+FA-H	C16H20N2O5	-0.910635488	4765.496835	4546.709109	4299.134304	5001.812819	4503.457332	3450.271863	4006.11111	4592.214679	4748.475241	3873.275979	4997.13935	6634.248725	4163.31385	5638.041417	4569.551922	4242.222086	4838.805737	4745.200724	5051.418317
3.54_305.0215m/z	305.0215323	3.538083333	pos	7-Chloroemodin	41041	Lipids and lipid-like molecules	Polyketides	Aromatic polyketides		C10311	41.1	32.8	M+H	C15H9ClO5	1.331344581	18771.52671	18641.87851	21705.10056	19165.61957	19290.22987	20645.23717	19643.62802	13031.86775	16696.44835	18027.56947	17824.4489	22141.96819	21283.469	21949.60067	21829.51422	21630.69624	21153.62763	21360.19027	24394.69689
5.48_330.2268m/z	330.2268311	5.4788	pos	6-Keto-decanoylcarnitine	LMFA07070047	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		41.1	12.5	M+H	C17H31NO5	-2.0304553	12229.30868	14156.35394	13971.64252	6370.872583	9811.054695	16157.66057	6995.206115	50921.9939	42933.80897	11483.03073	8990.639407	21348.5228	6644.981455	8490.145877	6973.237851	5351.680095	5482.718378	5032.16029	7371.312192
7.07_531.2996m/z	531.2996484	7.070183333	neg	5b-Cyprinol sulfate	HMDB0006888	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	**	C05468	41.1	16.3	M-H	C27H48O8S	-0.121444394	9151.273289	7923.375959	8415.961113	6060.991031	8949.768406	12526.58255	4968.754819	1223.318143	20693.9012	7894.698422	5774.4696	9207.000526	4850.953323	6048.336939	22504.47704	3295.276664	5771.199531	10451.8284	5089.634551
8.13_255.1599m/z	255.159941	8.133783333	neg	"3E,5E-tridecadienoic acid"	LMFA01030244	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			41.1	10.7	M+FA-H	C13H22O2	-1.150650747	1155.606321	1202.135674	1091.513333	738.5606998	1232.690841	2707.806766	823.2572369	871.1787356	2296.450958	2976.617461	1078.772453	1226.948291	879.6750822	878.6134995	803.6852715	615.7645872	1191.159092	837.0902894	552.7440674
9.11_633.1130m/z	633.1129782	9.111633333	neg	"Chrysoeriol 4',7-diglucuronide"	HMDB0039931	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			41.1	27.6	M-H2O-H	C28H28O18	4.99178305	3359.411597	3779.746078	3798.680947	2478.908585	3651.119802	2554.774817	3946.956489	4221.554893	5250.301214	4396.583457	4731.295095	2657.616927	2347.31034	3932.081032	4440.631004	3672.121758	2437.584058	2861.403248	3663.214923
1.48_287.0652m/z	287.0651512	1.48375	neg	5-phosphonooxy-L-lysine	HMDB0059600	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C03366	41	7.5	M+FA-H	C6H15N2O6P	0.724857168	1586.013065	1464.362105	1384.375178	1973.036502	1124.547482	1699.285745	840.99536	2907.311214	1409.347126	1034.015317	1339.581795	1556.64281	968.9546404	762.42779	1117.663056	1248.346713	1418.767675	2398.54733	1829.535913
1.95_402.9943m/z	402.9942887	1.949816667	neg	Uridine 5'-diphosphate	HMDB0000295	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine ribonucleotides	**	C00015	41	9.87	M-H	C9H14N2O12P2	-1.564300903	1999.153379	1934.904469	1753.078262	60.00021253	509.9593734	214.9489298	147.156381	23240.33367	4643.66651	65.56091413	78.23235228	633.2957822	192.3524686	72.84040614	58.61413558	107.6509773	0.000297236	126.3801089	79.70638888
10.42_104.1072m/z	104.1072077	10.42206667	pos	Pentanal	HMDB0031206	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		41	9.88	M+NH4	C5H10O	2.524267536	18193.80203	13283.01282	18611.30685	19508.19919	19547.28795	19572.65651	19056.08124	20119.42734	21698.96969	18873.94731	17971.2674	15910.39674	16045.01224	17632.73072	19675.14021	19704.13444	19292.81723	19625.14125	19447.49575
10.42_444.3330m/z	444.3330115	10.42301667	neg	Palmitoylcarnitine	LMFA07070004	Benzenoids	Phenols	Benzenediols	**	C00547	41	9.46	M+FA-H	C23H45NO4	-0.125825802	14743.4051	15713.54089	15098.77091	13744.28265	17449.69455	15698.58446	20741.69453	17131.58609	24603.15737	11317.49317	14546.39949	20326.02903	19384.69211	15084.23854	13055.32559	12673.05926	12962.37647	16557.56859	13622.70977
10.72_643.2890m/z	643.2890242	10.72161667	neg	"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	LMGP06050012	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			41	11.1	M-H	C31H49O12P	0.212679342	58994.12673	50315.69316	59060.72974	74223.02915	71395.36192	74360.94776	65042.64817	26581.84728	34852.00262	75620.31486	71518.17131	43334.84274	104941.261	127188.0125	72474.55858	73232.85174	62886.96606	73182.59934	95339.13689
11.00_490.3270m/z	490.3269618	11.00345	pos	PC(17:1(9Z)/0:0)	LMGP01050126	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			41	15.8	M+H-H2O	C25H50NO7P	-4.414381185	7040.644636	7519.379779	7900.81199	7455.705307	6934.344858	11279.79797	7643.571221	12209.1358	10572.49556	8688.216337	9109.924092	7919.930862	7110.499686	6461.226885	7169.832617	6884.836571	7597.879879	8342.28765	8216.71992
11.02_621.3046m/z	621.3045716	11.01853333	neg	"PI(20:3(8Z,11Z,14Z)/0:0)"	LMGP06050021	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			41	20.7	M-H	C29H51O12P	0.055126104	53207.88347	44830.85829	41489.77921	55615.50536	52470.2724	66629.47722	60079.37532	8760.803091	29744.45022	54691.96152	56259.94843	22783.40426	91898.00493	77128.5651	58785.41625	58135.71577	48606.07341	46042.58831	101263.8879
11.02_738.5082m/z	738.5081853	11.01853333	neg	"PE(16:0/20:4(5Z,8Z,11Z,14Z))"	LMGP02010096	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		41	12.4	M-H	C41H74NO8P	0.347197619	1099783.732	878619.1472	1151850.968	1200998.625	1177851.797	1214630.617	1153595.771	1302206.476	1179999.776	1283280.288	1301658.807	1118445.08	210145.4791	1355496.565	1343471.954	1190338.171	1225370.813	1250613.231	1142602.56
11.91_597.3045m/z	597.3044874	11.91175	neg	PI(18:1(9Z)/0:0)	LMGP06050005	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	*		41	12.9	M-H	C27H51O12P	-0.083409491	88710.42277	85493.07103	90669.61866	89335.08733	118583.2723	122691.8241	96547.32098	103490.1888	111865.626	86812.09191	91370.50531	104863.85	123286.9499	109280.5405	86649.36792	98896.51198	97574.73436	83967.97264	98470.20046
12.93_346.3074n	369.296645	12.92566667	pos	1-O-(2-methoxy-hexadecyl)-sn-glycerol	LMGL01020037	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols			41	11.5	"M+Na, M+K, M+NH4, M+H"	C20H42O4	-2.556875752	4319851.98	2811430.376	4181183.885	4213125.653	4112138.985	4179585.624	4182749.195	4323567.025	4269320.554	4099170.672	4384693.627	3238698.446	3877965.755	3803581.219	3883229.709	4278828.132	4176138.107	4387183.83	4223377.047
2.37_230.1385m/z	230.1385063	2.372466667	pos	Butenylcarnitine	LMFA07070053	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		41	11.2	M+H	C11H19NO4	-0.777751911	6819.466682	7361.046627	6939.117098	8908.420232	4462.645455	6485.004475	4428.21878	10329.05456	9825.103754	3632.576034	8329.599188	7370.022716	7883.836398	5586.664921	6119.232447	7290.232534	7176.863729	7484.988085	10406.57269
3.76_485.0741m/z	485.0741013	3.764833333	neg	"5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide"	LMPK12112850	Unclassified	Unclassified	Unclassified			41	23.8	M-H2O-H	C23H20O13	3.078291373	2431.614912	2101.920441	2057.051854	2320.868221	2372.646009	2622.625964	1835.923967	2388.323423	2069.447306	2696.057571	2186.676884	2592.263143	2163.512256	2019.713664	2182.482337	2292.869908	2556.631868	2302.63054	2547.194467
3.78_401.2306m/z	401.2305503	3.784616667	pos	14-F4-NeuroP	LMFA04010004	Lipids and lipid-like molecules	Fatty Acyls	Docosanoids			41	29.4	M+Na	C22H34O5	1.86508552	2272.567396	2476.504052	3142.519951	3025.75271	2274.087864	3033.386117	4397.662119	1655.913681	1083.125194	2524.87786	2284.763992	3044.379506	1935.555731	2442.78922	1647.482739	3568.815007	1833.444517	2316.538513	3494.860502
4.23_261.0879m/z	261.0878692	4.225533333	neg	"L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid"	HMDB0035665	Organoheterocyclic compounds	Indoles and derivatives	Pyridoindoles			41	9.03	M+FA-H	C12H12N2O2	-0.977905523	1438.496066	1383.33414	1251.455318	755.8369911	2164.562872	2405.88914	523.989334	5641.813876	2542.338257	2615.325114	362.1041653	1823.849585	599.7520833	473.0321521	660.6940253	592.2528893	764.6350762	641.858585	556.5028348
4.85_166.0617n	165.0544667	4.85115	neg	L-3-Phenyllactic acid	HMDB0000748	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified	***	C05607	41	15.2	"M-H2O-H, M-H"	C9H10O3	-8.05569196	1807.446838	1644.793346	1917.796793	1097.035123	2633.320658	2486.47173	2003.298254	557.252261	2032.4548	7749.391843	1086.003504	1571.776166	2633.967585	1930.552659	985.9818863	781.0936029	1298.867646	736.5079603	1138.745598
4.89_218.0815m/z	218.0815066	4.890966667	neg	alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid	HMDB0038338	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives			41	13.1	M-H	C12H13NO3	-3.470149254	660.3762706	649.8356495	559.9491713	1170.888481	551.0759635	587.8145324	433.9842637	355.168231	173.7839962	401.5935212	659.0437759	513.3111637	435.8525832	470.5656982	767.4165776	678.8349852	806.9233201	860.4124491	790.0903403
5.68_591.3168m/z	591.316844	5.679633333	pos	D-Urobilinogen	HMDB0004158	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Bilirubins	**	C05791	41	15.4	M+H	C33H42N4O6	-1.469591421	4550.252512	4380.524908	4594.364573	7384.574188	4332.761872	2823.428054	2068.663002	0.000297236	0.000297236	3864.928135	2344.516029	217.3111613	8914.355345	19929.38054	9592.820055	3168.506404	2141.348061	9078.44093	3781.548214
0.80_303.1426n	286.1393385	0.798133333	pos	N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine	93997	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.9	11.7	"M+H-H2O, M+H"	C12H21N3O6	-1.348075504	94096.11061	96524.89296	93898.97697	65428.18007	79523.30626	121352.686	95091.33703	78723.61733	127487.3908	112227.3581	82552.65835	203898.1398	96143.07711	103891.9967	77118.70131	69672.38135	84188.88477	75291.61131	105639.1596
10.04_361.2385m/z	361.2385349	10.04158333	neg	(20S)-20-hydroxypregn-4-en-3-one	LMST02030169	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids	**	C04042	40.9	8.61	M+FA-H	C21H32O2	0.321786714	3286.473968	3081.865093	3084.643624	3402.168504	3627.808487	3977.208162	2989.548043	3037.481505	2296.209634	3930.008048	2941.628229	3434.508172	3613.104906	3527.012705	3913.642677	3538.594457	3429.446709	3718.299444	3741.457909
11.17_782.4982m/z	782.4982204	11.16756667	neg	"PS(20:4(5Z,8Z,11Z,14Z)/16:0)"	HMDB0012431	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	*		40.9	21.7	M-H	C42H74NO10P	0.590488271	388717.5274	300512.9765	261409.597	294012.0772	294016.4462	286291.3968	297368.218	289689.8886	303497.9153	325419.3876	315669.253	304503.5034	307458.8067	304135.9745	311834.5765	328400.3763	230416.4285	213216.8782	231524.2794
11.53_531.2726m/z	531.2725825	11.52978333	neg	"LysoPA(22:4(7Z,10Z,13Z,16Z)/0:0)"	HMDB0114752	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	*		40.9	10.6	M+FA-H	C25H43O7P	-0.536095412	30311.06202	27597.54014	29803.29165	28555.5344	44672.82837	39115.46023	28772.20466	64898.02294	54196.20341	37894.07307	27245.5909	57378.40061	22231.6601	20598.82258	32150.55712	35728.56619	31933.01972	39623.80643	21715.63515
15.55_166.0852n	149.0819021	15.54558333	pos	N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	73404	Unclassified	Unclassified	Unclassified			40.9	9.39	"M+H-H2O, M+H"	C7H10N4O	-1.629586146	242388.2409	206710.9019	227971.7751	230253.3173	223206.8168	220762.8892	220207.2193	236257.7292	249045.3663	251716.6113	239949.2719	230024.3157	207846.4328	215126.3011	234590.9179	251014.2838	221933.0581	235807.5907	215083.4168
3.72_734.3023m/z	734.3022923	3.72035	pos	Bn-NCC-1	HMDB0038229	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Unclassified			40.9	13.4	M+NH4	C37H40N4O11	-1.244455479	49555.87223	45272.72646	46897.48769	54885.32525	42704.61762	46904.05816	43994.35371	40658.82205	55862.09848	32503.60858	44864.15476	84024.8624	51060.89768	53987.22565	58175.4204	54352.73795	48934.27014	59542.60931	47995.97482
4.00_251.0474m/z	251.0474251	3.9952	pos	(-)-Mycomycin	LMFA01031139	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.9	12.9	M+K	C14H12O2	2.534077945	5402.751239	5122.995302	5138.048243	4728.718521	6321.789654	6093.797898	4585.391328	7456.603352	6246.050526	5146.485512	4833.856826	10110.53601	4130.807967	3894.681703	5124.368237	4926.212534	4943.063551	4970.433033	5073.896636
4.95_226.0683n	271.067432	4.954616667	neg	"2,3,4,5,6,7-Hexahydroxyheptanoic acid"	HMDB0240292	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			40.9	12.6	"M-H, M+FA-H"	C7H14O8	-2.515733529	4111.113863	3652.144808	3925.508044	4707.038576	3763.537228	4833.101454	3794.766522	2838.506451	3428.149296	2757.781051	4753.550442	3408.876515	3832.92703	2786.965614	3802.806876	3579.046016	5072.169759	4509.734363	5109.242397
6.10_472.2373m/z	472.2373056	6.102316667	neg	15-HETE-T	LMFA08020149	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			40.9	15	M+FA-H	C22H37NO5S	-0.331244645	7916.000459	6911.070921	7515.541612	13134.88869	4308.468325	13067.04168	6107.712653	2288.61387	1388.701664	7600.264159	9682.310923	2803.276473	5611.071873	5988.545556	8272.179223	11571.89443	10099.36342	11643.15537	9470.011701
9.64_424.2471m/z	424.2470708	9.644516667	neg	N-palmitoyl-phosphoethanolamine	HMDB0059630	Organic acids and derivatives	Organic phosphonic acids and derivatives	Organic phosphonic acids			40.9	10.8	M+FA-H	C18H38NO5P	0.284601464	1967.858591	2045.746563	1732.33988	2035.003608	3023.175704	1953.064895	1534.005446	1075.486058	2166.500707	1530.584034	1814.642944	3226.891289	3594.755053	2032.736489	1742.386042	1257.194221	1664.979406	1274.804771	2350.243396
9.90_542.3236m/z	542.3235959	9.898883333	pos	"11-[(2R,3S)-3-[2-amino-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-en-1-yl]-2-methyloxiran-2-yl]-3,7-dihydroxy-4,4,6,8-tetramethyl-5-oxoundecanoic acid"	HMDB0127524	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		40.9	19.4	M+NH4	C27H44N2O6S	-4.268116422	94448.093	98218.63038	93363.87786	106523.5402	107155.3028	110354.6022	106762.9512	37624.18323	46310.61163	107846.7322	95244.53307	67853.66705	196361.2556	175663.693	131267.1466	104462.5052	106316.5933	102497.6978	200701.9498
9.90_617.2733m/z	617.2732848	9.896683333	neg	"PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)"	LMGP06050026	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			40.9	11.5	M-H	C29H47O12P	0.077100885	8504.061382	7483.581821	6897.884766	8065.068782	9637.716394	11095.54915	11446.58002	943.359998	1787.150043	7679.633865	7692.615091	1881.819294	20136.26268	19807.08672	8439.152145	6420.151215	7028.658908	6297.536456	21871.47321
0.46_229.1432m/z	229.1431673	0.460733333	pos	Traumatic Acid	5882	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C16308	40.8	14.5	M+H	C12H20O4	-1.175861031	9632.047692	10977.93894	9590.114332	9896.119651	9680.499408	10731.97701	10388.73367	10373.72879	10048.23274	10608.82198	10930.95106	10627.62705	9961.32997	9301.29824	9158.074035	10032.34993	9547.587318	10274.24123	9909.121237
0.75_248.0653n	293.0681977	0.746966667	neg	L-beta-aspartyl-L-aspartic acid	HMDB0011163	Organic acids and derivatives	Peptidomimetics	Hybrid peptides			40.8	13.6	"M-H2O-H, M+FA-H"	C8H12N2O7	3.564965599	136098.5011	147580.2065	140181.4065	157659.0009	119252.1406	125708.6162	126231.3359	202130.4121	155494.023	154079.5016	158503.5759	123842.8649	127718.8698	136005.9117	134532.9922	167706.6439	151526.082	179917.6926	144899.1455
0.82_496.2033m/z	496.2032742	0.816033333	pos	Kelampayoside A	HMDB0038714	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			40.8	11	M+NH4	C20H30O13	1.688963063	84334.55103	80316.70208	83879.45382	94250.73037	117653.0624	132474.7139	70685.7215	24697.46658	29749.88549	114013.3005	88319.83728	109618.9624	77417.00889	62612.43394	57957.48714	65617.6865	88144.6739	88734.16179	80948.0208
0.98_346.0558m/z	346.0558117	0.9796	neg	N-Acetyl-glucosamine 1-phosphate	HMDB0001367	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C04256	40.8	11.2	M+FA-H	C8H16NO9P	4.454789822	91640.26705	100708.4714	97628.41142	75299.29407	121472.3578	120026.1988	125091.8932	86811.22895	95275.41033	127180.3341	104801.7849	80504.02771	103388.8566	100089.5596	97351.46371	95481.50971	97485.82128	78303.88873	86175.75559
1.06_294.0289m/z	294.0288712	1.063433333	neg	Norepinephrine sulfate	HMDB0002062	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			40.8	9.74	M+FA-H	C8H11NO6S	-0.159724527	75076.9121	67178.42133	61884.91276	101029.1499	40575.70291	78694.5685	62777.53139	89247.43766	77184.06805	55156.26679	76470.52231	66359.80587	77233.6353	55254.78157	68833.85454	73880.11956	72390.93793	97004.93813	93739.90373
10.42_218.1878n	241.1769	10.42206667	pos	"8,8-Dimethoxy-2,6-dimethyl-2-octanol"	HMDB0040219	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			40.8	9.03	"M+H, M+NH4, M+Na"	C12H26O3	-1.921920784	278823.8662	253288.1194	269076.3493	269291.6352	251131.7425	261155.2781	257654.7752	263927.2435	261899.526	267596.1675	276234.9466	264917.4779	269158.1821	268913.2541	277821.7741	286452.3158	271780.575	281564.0052	256686.7412
10.70_790.5613m/z	790.5613293	10.70088333	neg	PE(18:0/18:1(11Z))	HMDB0008992	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		40.8	20.4	M+FA-H	C41H80NO8P	1.302682302	10203.31929	12859.87009	13349.57577	9972.425525	8317.919318	9259.528166	5724.871141	26996.96687	13060.11807	7405.172849	9971.350367	23854.50355	10515.88215	10564.37671	13398.4223	9685.937171	11883.48223	16306.67789	12805.29532
10.87_283.2639m/z	283.2638818	10.87058333	neg	8Z-Heptadecene	LMFA11000102	Lipids and lipid-like molecules	Fatty Acyls	Hydrocarbons			40.8	12.4	M+FA-H	C17H34	-1.562146452	660.1624365	634.7101127	799.4505664	722.6216037	911.8867932	1052.282676	1020.876318	1171.971288	1443.871399	614.9505359	687.0008129	1403.943758	1003.28959	779.1360584	509.8549674	883.8091277	537.1475545	912.5519395	725.2780514
11.34_228.2318m/z	228.2317506	11.33533333	pos	"8E,10E-Tetradecadien-1-ol"	LMFA05000179	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			40.8	9.49	M+NH4	C14H26O	-2.094875264	18261.253	16534.14112	19038.3829	21495.36891	22048.2697	15643.08877	21163.78763	20949.2996	18347.58646	18784.38859	17801.67109	15952.35302	16111.48841	19356.24165	23051.60593	21202.16045	18882.22436	19664.89811	17333.2628
11.44_304.2607n	343.2261314	11.43953333	pos	1-O-(2R-hydroxy-tetradecyl)-sn-glycerol	LMGL01020061	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols			40.8	14.5	"M+NH4, M+K"	C17H36O4	-2.207819496	6946.510734	4716.769444	5952.400705	6060.749403	8320.161769	5102.450014	6631.748426	4339.134256	4461.86499	6433.349302	5718.610639	5078.111875	5365.940412	4896.52219	7100.919541	6815.51999	5406.991317	5806.611953	5883.386465
11.70_272.2350n	271.2277145	11.69991667	neg	3-hydroxyhexadecanoic acid	HMDB0061658	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		40.8	7.61	"M-H, M+FA-H"	C16H32O3	-0.565526727	20547.68486	20801.39138	20407.85215	24092.79954	22928.6102	25339.04344	18371.55894	18989.31978	20370.46472	19382.54113	20671.03594	18976.93397	26564.93624	22008.01686	19761.72062	25117.63296	19836.02442	22010.79052	23457.84983
13.54_284.2941m/z	284.2941232	13.5352	pos	Octadecanamide	HMDB0034146	Organic acids and derivatives	Carboximidic acids and derivatives	Carboximidic acids	*	C13846	40.8	9.8	M+H	C18H37NO	-2.358068468	187155.8896	133534.425	174145.3665	164684.3839	177588.0047	142503.8527	194239.0718	206132.4329	153229.2686	174924.577	175133.2773	132586.8229	149274.2322	154481.7895	108824.8553	124345.5814	139511.9207	150522.7066	161933.8952
2.74_324.2166m/z	324.2166374	2.743033333	pos	5'-Carboxy-gamma-chromanol	HMDB0012799	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			40.8	9	M+NH4	C18H26O4	-0.971488922	2170989.197	1879743.626	2106918.257	2168415.769	2051644.657	2137305.807	2168917.999	2115501.748	2131392.429	2100275.971	2212639.598	1946379.132	1881940.836	1981425.165	2112243.431	2166040.947	2103545.422	2174798.822	2013545.343
3.91_546.2886m/z	546.2885667	3.91085	pos	"ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside"	HMDB0038546	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		40.8	17.6	M+NH4	C26H40O11	-4.393634079	6100.141753	6796.726587	5634.313659	7416.946352	7330.103058	6515.423956	4881.273629	9413.245391	3970.414355	5338.343385	7025.0834	7064.208528	6098.352773	4946.871858	4657.013861	4467.277339	5851.820895	7214.726751	6988.85153
4.12_130.1591m/z	130.1590544	4.11915	pos	1-Octene	HMDB0032449	Hydrocarbons	Unsaturated hydrocarbons	Unsaturated aliphatic hydrocarbons			40.8	7.78	M+NH4	C8H16	0.252712577	2924.034523	2946.045736	3017.397572	2022.939552	2515.439342	2037.667007	1808.253772	2456.369766	2095.740743	1777.626187	2373.214318	4005.580494	1659.301539	2146.53294	3596.11159	1802.864945	9761.128077	4592.624141	2080.669343
4.14_326.1939n	349.1830629	4.140633333	pos	Heptaethylene glycol	HMDB0061835	Organic oxygen compounds	Organooxygen compounds	Ethers			40.8	9.14	"M+NH4, M+Na, M+H"	C14H30O8	-0.545048149	32303.91679	32280.78318	32530.92599	31570.95303	31718.55522	31376.04965	29577.10228	34714.50559	36481.30471	28029.58	34809.78465	34687.98617	30010.12339	36351.44658	32600.17248	32411.16362	38704.96865	35741.54593	37149.24493
4.55_316.2115m/z	316.2115497	4.5538	pos	Artemether	HMDB0015643	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids			40.8	9.43	M+NH4	C16H26O5	-1.005262155	5580.802723	6089.520569	5269.223925	2687.993144	4827.865815	11316.89536	3074.120557	27943.10464	11339.76629	4868.482004	2262.908435	8872.116	3430.653843	2045.351214	2232.470019	2620.483069	1771.67811	3589.309015	3642.754459
4.61_337.0881m/z	337.0881402	4.6053	neg	Edetic Acid	HMDB0015109	Organic acids and derivatives	Carboxylic acids and derivatives	Tetracarboxylic acids and derivatives		C00284	40.8	8.94	M+FA-H	C10H16N2O8	-2.492806673	3899.261933	3807.002086	3686.41582	1761.15527	2976.412888	5733.40948	2258.865264	5542.527583	8778.942744	5522.212127	2854.102023	4638.605976	2811.602179	3941.669488	2723.367703	1948.825351	2599.734066	2191.335599	2277.415077
5.02_197.0810m/z	197.0809502	5.017966667	neg	"2,3-Methylene suberic acid"	HMDB0059779	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		40.8	12.8	M-H	C10H14O4	-4.958816837	4079.084505	4133.738238	4629.862347	5052.800333	4145.912078	6404.187467	4653.366147	4315.066855	3783.00952	5378.592795	5526.550524	4286.132898	3134.414036	3216.487228	5177.684119	4427.843538	4735.811262	5446.483756	2681.88265
7.75_224.1278m/z	224.1277593	7.7503	pos	BUFEXAMAC	44293	Unclassified	Unclassified	Unclassified			40.8	9.75	M+H	C12H17NO3	-1.615894778	3400.016629	3705.022977	3611.909606	4152.731479	717.96177	1249.890399	3522.348543	3959.9512	11068.70882	1216.856094	4919.680353	11033.08914	899.0811689	868.0587639	3040.514677	2605.641874	3092.870317	3335.572741	725.486812
9.73_250.2161m/z	250.2160686	9.7295	pos	"1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one"	HMDB0029704	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		40.8	10	M+NH4	C16H24O	-2.0340583	5959.674817	7741.657296	6786.669286	9924.642473	8963.530538	7373.162563	16032.91593	11335.70223	9481.178916	10913.80068	15323.22855	14357.80416	17870.96768	12362.48641	15089.84845	11061.05649	9068.792228	8772.254257	15451.27661
0.25_261.2221m/z	261.2220581	0.24945	neg	15-octadecynoic acid	LMFA01030573	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.7	8.14	M-H2O-H	C18H32O2	-1.181333233	17437.64158	16034.29279	16540.45646	15569.75738	16639.75101	14949.37674	15431.35553	15857.56269	16180.08337	16534.37742	16696.46706	16283.66161	17202.68262	17802.71884	17637.60294	17271.37201	16437.03741	16749.21974	16350.60552
0.75_227.1031m/z	227.1030708	0.746966667	neg	Valyl-Glutamate	HMDB0029126	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.7	11.7	M-H2O-H	C10H18N2O5	-2.680745662	12749.49829	13924.54075	13322.69208	12105.64502	10146.17616	11851.72651	12968.36546	10225.96256	17132.38348	11437.88464	13285.56579	26598.28688	13816.14207	14253.75216	11135.93225	10292.9646	12550.96222	15010.57946	12903.40248
0.80_273.0017m/z	273.0016818	0.801	neg	D-Glucuronic acid 1-phosphate	HMDB0003976	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C05385	40.7	10.8	M-H	C6H11O10P	-0.09111091	23269.66429	19569.95126	22349.53769	26268.47543	30545.99226	17587.1505	47216.16549	14109.71394	21483.19921	29763.40976	39224.57086	16751.13732	38222.10181	47258.72212	35226.15757	31648.88516	34397.03729	14668.50766	20144.40225
1.06_137.0457m/z	137.0456534	1.062216667	pos	Hypoxanthine	HMDB0000157	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	***	C00262	40.7	6.29	M+H	C5H4N4O	-0.983569963	7374458.094	7423119.889	7215601.594	6969973.893	6710429.942	6578642.103	6289813.931	7300005.131	7481459.419	6709273.793	6928486.189	8061687.991	7176213.168	7359439.391	7990381.767	8123910.157	7147630.406	7047164	7157559.727
1.78_216.0870m/z	216.0870003	1.781066667	neg	N-butanoyl-lhomoserine lactone	LMFA08030002	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides		C11837	40.7	11.8	M+FA-H	C8H13NO3	-4.359201448	1699.273224	1826.576276	1820.706658	1902.43439	1039.648832	1090.738098	1994.982754	2709.028215	2550.529884	1151.193934	1953.742749	3204.299811	1689.415917	1712.652214	1199.826595	1233.081686	1272.117496	1224.412781	1645.886866
10.15_678.3239m/z	678.3238578	10.15356667	pos	OKHdiA-PS	LMGP20040026	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			40.7	16	M+H	C31H52NO13P	-1.544314257	4097.709693	4054.83195	4506.352402	7163.505848	4513.877012	11929.44967	2806.258452	3849.101764	4626.588966	4894.326007	3632.45485	3892.023909	6539.748535	5335.80286	5204.347868	4432.515368	2725.93813	4654.989257	3321.665496
10.68_608.3181m/z	608.3181249	10.67961667	neg	OOB-PE	LMGP20020034	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			40.7	11.4	M+FA-H	C27H50NO9P	-4.254797514	512163.1543	495566.6926	512519.5663	553958.5889	542637.4735	567955.6824	584578.9188	431427.9144	534901.3763	495012.8156	518459.4385	563559.1001	601881.6686	575478.1755	562020.2079	563300.6396	562528.1975	541957.9031	568875.8834
11.32_571.2887m/z	571.2886816	11.31721667	neg	1-hexadecanoyl-sn--glycero-3-phospho-D-myo-inositol	LMGP02060006	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			40.7	7.97	M-H	C25H49O12P	-0.359338475	485789.445	472836.9268	485373.4844	516247.3532	586850.1761	579132.6096	568026.5844	332761.0237	434701.5244	482324.6873	495948.7254	491869.3828	677950.8631	651869.9244	486505.0558	512649.2118	488924.3633	494350.9067	613305.6488
11.57_668.2866m/z	668.286644	11.57193333	neg	Leukotriene C5	HMDB0012993	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.7	14.6	M+FA-H	C30H45N3O9S	1.267607184	12999.50975	12054.77905	12149.95489	10836.12472	12350.02397	12549.0105	15129.68291	10010.86545	10214.17547	9400.435122	11545.95013	12597.53016	11683.51149	12554.46106	12857.39426	12812.93297	15747.88866	10976.85269	10695.15497
11.79_582.4332n	600.4670293	11.78948333	pos	Polidocanol	69582	Unclassified	Unclassified	Unclassified			40.7	9.32	"M+NH4, M+Na, M+H"	C30H62O10	-1.879034851	3202372.494	2929068.055	3037620.851	3140870.477	3054802.476	3139199.318	3107606.233	3269305.033	3167170.288	3243646.223	3235061.634	3100998.856	3011093.31	3051459.099	3195179.919	3239007.505	2965288.377	2950718.447	2942164.042
12.94_559.3038m/z	559.3037573	12.9408	neg	"PG(22:4(7Z,10Z,13Z,16Z)/0:0)"	LMGP04050017	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols			40.7	17.4	M-H	C28H49O9P	-0.688907886	10061.10744	10089.90124	9270.400342	10918.94866	16494.41623	12792.51502	12835.06163	18364.51317	18473.09438	9215.449931	13159.29149	24480.95325	10703.35163	7561.448915	13199.36824	12320.59871	13077.91403	12528.43969	10499.63099
13.92_738.5076m/z	738.5075888	13.9155	neg	"PE(16:0/20:4(8Z,11Z,14Z,17Z))"	HMDB0008938	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		40.7	22.9	M-H	C41H74NO8P	-0.459462741	138905.4055	89568.33605	117587.0895	129969.3629	125682.0687	90500.18561	157851.8972	143572.0767	161878.9023	125751.5899	87064.80467	3340.197634	46849.67038	89155.06333	82791.20522	158240.9517	134933.6719	114145.7945	115525.2659
14.32_305.1565m/z	305.1564664	14.32051667	pos	Hexaethylene glycol	HMDB0061822	Organic oxygen compounds	Organooxygen compounds	Ethers			40.7	10.2	M+Na	C12H26O7	-2.152847599	8385.362475	7230.640765	8208.306487	8247.880577	7382.477909	7215.450686	7908.818385	8034.379044	8370.265569	8230.371059	9359.452813	7275.564517	7876.856775	9485.433188	8398.326171	7885.57309	8870.914656	8785.630742	8094.122946
15.76_177.1634m/z	177.1633752	15.75651667	pos	beta-Ionol	HMDB0036820	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		40.7	13.7	M+H-H2O	C13H22O	-2.069917903	19483.60557	27262.44226	19713.21464	20705.38879	20126.26102	17435.95661	19199.43462	18062.89571	21837.64948	19037.31739	22920.08935	21055.51497	21752.6813	18983.57023	16806.22849	17881.96989	18301.36883	18159.70275	21008.61802
2.68_259.0744m/z	259.0744279	2.684466667	pos	Northienamycin	71643	Unclassified	Unclassified	Unclassified			40.7	16.1	M+H	C10H14N2O4S	-1.071301587	2048.173728	2108.111521	2060.598344	705.0313316	5178.972606	2436.145013	2066.526153	767.8841315	638.628046	5147.686142	1633.518748	1238.320236	1690.387434	1309.911864	2415.510633	2331.887197	1923.19695	1338.314795	2413.895518
3.20_285.2784m/z	285.2784359	3.195183333	pos	decyl octanoate	97184	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			40.7	9.79	M+H	C18H36O2	-1.304689275	12152.09624	13187.4576	14547.35221	15192.42877	14889.03281	14764.61585	14894.29092	14252.45028	17540.46015	15506.81643	15154.8041	15992.05119	14344.85204	14073.65571	15855.05784	15256.96815	14827.87095	14110.29711	13796.53511
3.53_633.1166m/z	633.1166042	3.534466667	neg	Nilutamide	HMDB0014803	Organoheterocyclic compounds	Azolidines	Imidazolidines		C08164	40.7	17.3	2M-H	C12H10F3N3O4	-1.26206003	22075.83713	24425.10237	22839.98609	24571.24908	21611.00641	24814.02061	23568.73871	20861.25298	20318.55002	25453.00479	26841.51743	22056.67544	22426.92927	24077.72067	22550.74588	27104.07997	27610.17386	29233.0242	23852.04921
3.72_314.1598m/z	314.1597565	3.72035	pos	Vomitoxin	LMPR0103180002	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*	C09747	40.7	9.15	M+NH4	C15H20O6	-0.1937229	2467.145846	2572.110548	2234.832288	1888.090729	3060.728103	5106.31704	1500.847514	1974.021026	1447.341104	3449.804411	1641.41573	2209.158319	2480.220317	2611.758103	969.6752872	1693.629274	967.4355352	1273.237858	2707.758903
4.00_314.1611m/z	314.1610968	3.997416667	neg	Tetranor-8-NO2-CLA	LMFA01120009	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.7	8.37	M+FA-H	C14H23NO4	0.689854292	926.9190412	931.5397498	1078.913544	593.9924707	1261.315455	2359.817642	359.8537304	3106.134865	2030.707857	1502.050925	654.4511009	731.6099416	586.7922258	555.142692	635.6630316	789.142452	580.2050058	663.1649497	461.5632108
4.06_275.0231m/z	275.0231169	4.057716667	neg	(4-ethenyl-2-methoxyphenyl)oxidanesulfonic acid	HMDB0127980	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			40.7	12.3	M+FA-H	C9H10O5S	0.085154464	374.9344155	479.3268699	509.4240478	285.5887161	1008.634982	359.4297717	86.64995533	0.000297236	16.57812611	1487.887948	187.8526894	148.0002697	881.0270413	238.4985527	814.9912734	387.2391438	693.2195013	409.8935892	117.4505287
9.81_416.3364m/z	416.3364138	9.81395	pos	3-hydroxyhexadecanoyl carnitine	HMDB0061642	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		40.7	8.61	M+H	C23H45NO5	-1.531851888	33181.57858	39607.24849	34219.44146	26261.94758	32348.11867	44700.87682	24161.72261	76423.81718	68075.94631	30443.69575	26861.09784	53595.14166	43459.61981	48196.06725	30805.94678	31615.53467	34405.1627	25332.4183	28492.78851
0.73_181.0706m/z	181.0706056	0.7299	neg	Mannitol	HMDB0000765	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	***	C00392	40.6	14.6	M-H	C6H14O6	-6.349656192	25575.18608	24882.19994	26734.06196	2151.727806	54009.97613	27220.14665	12831.30326	9536.118262	23483.18657	50932.63954	4563.146109	3767.38016	57351.45574	47889.53202	41989.76162	6366.98449	30700.88288	13174.40797	48099.29727
1.63_288.1439m/z	288.1438732	1.6338	pos	(2E)-hexenedioylcarnitine	LMFA07070013	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			40.6	9.93	M+H	C13H21NO6	-1.012140341	7081.697471	8711.681289	7663.597537	5672.720286	12215.98037	10566.50236	5415.482594	8064.967605	3939.074304	5763.376913	6768.645052	11496.70345	6352.289437	7117.174928	7112.447285	8326.992505	7745.363776	7577.055094	6038.835785
1.91_327.0945m/z	327.0944561	1.90785	neg	1-Methylinosine	HMDB0002721	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			40.6	9.53	M+FA-H	C11H14N4O5	-0.589469485	2074.113679	1820.173688	1896.685827	2001.414748	1671.026844	1148.509934	1806.357804	3857.308948	2570.339491	1335.625897	1535.627406	3860.944858	1723.296514	1657.011615	1656.461702	1111.62733	1379.065767	1517.815031	2039.480749
10.47_333.1353m/z	333.1353056	10.46646667	neg	Amifloxacin	HMDB0041826	Organoheterocyclic compounds	Quinolines and derivatives	Quinoline carboxylic acids			40.6	19.2	M-H	C16H19FN4O3	-4.598836403	6345.892801	6707.892271	7004.902475	4701.537433	4775.323592	4453.24849	4971.578997	4287.235869	4908.342767	4504.587797	5912.884069	4686.215862	4071.959135	7434.983977	3956.997047	4118.726722	6351.531869	5259.249648	5178.419741
11.46_539.2762m/z	539.276197	11.46015	pos	Physalolactone B	HMDB0034200	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	*		40.6	13.5	M+K	C30H44O6	-1.499513413	26338.83464	22014.52933	23973.08622	29050.44151	39337.73748	34486.8483	23698.05917	29887.65043	20627.82502	33497.55471	32338.0093	37156.49028	16799.65507	16845.90004	28561.10156	33412.27246	25870.89043	45039.63144	29072.96218
13.15_313.2383m/z	313.2382918	13.14991667	neg	"7-Hexadecenoic acid, methyl ester"	HMDB0061858	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		40.6	9.18	M+FA-H	C17H32O2	-0.526832308	5577.553686	6660.299403	6871.502602	4011.311902	5300.113065	4879.137454	4952.536245	1474.23252	1616.060827	6228.232798	5662.979601	3390.315571	6420.518995	6001.192168	5710.634973	5652.00563	5344.994368	4006.183125	6145.664663
3.53_329.0285m/z	329.0285023	3.534466667	neg	Inosinic acid	HMDB0000175	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides	**	C00130	40.6	8.59	M-H2O-H	C10H13N4O8P	-2.17373452	14431.38362	14295.53956	14480.35872	15314.66034	14202.31503	14299.99008	15258.27532	13696.81008	13051.07702	15720.39598	15495.40662	13723.89085	14315.96948	15131.37519	14387.51404	15234.01708	15169.31057	15703.28496	15440.03542
4.12_188.0918m/z	188.0918091	4.119566667	neg	Miglitol	HMDB0014634	Organoheterocyclic compounds	Piperidines	Unclassified		C07708	40.6	11.3	M-H2O-H	C8H17NO5	-4.936677625	14634.75048	14405.84766	15110.67491	15386.4155	10702.47102	19282.83349	10752.97998	16222.18176	13173.96847	11692.57625	9502.333194	21745.97568	13630.80924	12542.1986	16435.08935	10233.00145	14122.44455	15734.5321	24776.2229
4.45_225.1094m/z	225.1093687	4.451533333	pos	Heptylmalonic acid	HMDB0059719	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		40.6	9.74	M+Na	C10H18O4	-1.786111152	3915.945544	3766.77965	3715.298252	3190.177656	3812.813731	4808.79908	3209.027024	4880.615829	5865.822724	4443.447323	3392.829103	4412.815243	3492.541049	3469.489868	3305.747836	2855.588187	3275.562132	3277.581091	2957.253083
4.60_224.0738m/z	224.0737618	4.595183333	pos	Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate	HMDB0033995	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		40.6	8.76	M+NH4	C11H10O2S	-1.040209534	5568.713481	6497.224224	5838.488537	6781.274338	4715.102526	4484.080092	2686.941051	8602.032411	7529.292378	3451.013921	4206.683165	11865.11601	4384.241719	4313.784357	4682.404892	5259.480314	6115.22872	8252.597142	6554.013533
5.50_374.2531m/z	374.2530793	5.5002	pos	O-(11-carboxyundecanoyl)carnitine	LMFA07070083	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			40.6	11	M+H	C19H35NO6	-1.70127783	5130.314806	5517.496079	6324.041027	5403.4502	2964.708815	13278.96157	4209.400355	4261.750607	14127.91407	11221.37158	5967.991759	18026.14623	1037.901945	1568.668095	1824.703463	2547.378708	2312.607771	3421.146832	1758.890498
7.78_221.0812m/z	221.0812328	7.783116667	neg	"2,2-dimethyl-2H-chromen-5-ol"	HMDB0126379	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			40.6	10.6	M+FA-H	C11H12O2	-3.973575212	5948.297776	5126.530953	5252.967903	5668.178507	6739.572912	5288.835973	6238.122028	5201.746895	4919.441971	4803.957091	5876.240216	5346.638201	5206.704792	5587.918673	5089.87211	4380.805076	5196.300106	5761.450499	5071.354796
9.86_287.2456n	310.2348745	9.8569	pos	Lauroyl diethanolamide	88393	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	*		40.6	9.57	"M+H, M+Na"	C16H33NO3	-1.635800887	6647.960861	7029.89997	6783.504235	5515.188302	10214.93097	6589.265797	5997.517775	4442.589969	4685.045955	5730.155943	5616.220958	8139.213147	4926.618248	7927.979827	5355.784842	4996.304191	5070.365675	13104.41837	8424.562196
0.50_154.0986m/z	154.0985656	0.499683333	neg	apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]	HMDB0059607	Organic acids and derivatives	Carboximidic acids and derivatives	Carboximidic acids			40.5	9.2	M-H2O-H	C7H15N3O2	-0.115460737	8518.19134	9522.512538	8822.166105	8848.44413	9213.302468	8156.970627	9060.931511	8978.25389	9285.391608	10292.53377	9248.064623	8316.076376	8732.189811	8264.122806	8173.503137	8494.140874	7914.255626	8860.426205	8341.67609
0.63_275.1480n	276.155314	0.62635	pos	L-a-glutamyl-L-Lysine	58227	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.5	8.88	"M+H-H2O, M+H"	C11H21N3O5	-0.299832691	40227.98117	42356.94752	38637.7001	39007.23508	51611.3932	40078.51104	39073.19999	32214.08428	31014.49364	45540.03592	42474.12655	37890.292	40347.99398	41935.44701	40393.26994	33597.84464	38879.34668	38179.25393	43964.18481
0.71_400.1019n	399.0947693	0.712816667	neg	"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide"	HMDB0059984	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			40.5	17	"M-H2O-H, M-H"	C17H20O11	3.436772604	230075.653	227367.8335	212070.9209	283154.465	225629.4122	337239.6337	210331.2331	229647.2897	185447.6396	236578.4528	255754.5707	228516.007	286205.5594	223259.7581	193336.5254	225603.9505	169746.8698	224866.0719	194356.5163
1.06_104.0531m/z	104.0531199	1.062216667	pos	(±)-2-Methylthiazolidine	HMDB0031682	Organoheterocyclic compounds	Azolidines	Thiazolidines			40.5	13	M+H	C4H9NS	2.650721796	37557.84238	36780.84042	40209.49174	34042.5989	38580.04731	34612.18356	34568.14785	30220.18438	26928.3387	32851.72994	38105.70494	40255.64767	38336.73661	39500.63906	41952.90812	43198.60184	39851.21697	37752.93477	42932.76517
1.26_568.1644m/z	568.164375	1.25845	pos	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose	HMDB0002060	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		40.5	12.9	M+K	C20H35NO15	1.034544119	27947.16681	31093.26687	26725.02826	34342.09788	42109.53916	39120.83518	46030.99342	4443.144243	4992.380232	51423.98736	32028.01383	8778.143178	43143.8332	39801.89797	47649.78843	34272.52075	40833.54823	31619.92974	50624.27858
1.65_209.1535m/z	209.1535152	1.651983333	pos	"2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol"	HMDB0036686	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			40.5	16.9	M+H	C13H20O2	-0.437899385	31894.1268	29679.85781	31684.90573	30721.804	29881.36918	31443.09125	31806.58755	31854.36373	31853.19646	31166.13324	31426.72086	32848.18956	30251.19238	32208.36757	31538.74623	33004.35597	31248.91256	29852.14539	28792.75389
10.04_486.3438m/z	486.3437515	10.04158333	neg	2-Hydroxy-3-methoxyestrone	HMDB0011195	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids	*		40.5	8.83	M+FA-H	C25H47NO5	0.283371637	2341.160031	2158.062565	2225.94699	1065.088871	2245.782012	4346.805764	1180.039618	6439.149701	5171.794794	2938.158265	1280.728218	3718.386936	3513.323316	2824.869866	1496.643003	1275.354668	2223.321187	1393.228108	1869.697174
10.71_314.3409m/z	314.3409321	10.71288333	pos	"2-amino-14,16-dimethyloctadecan-3-ol"	53931	Unclassified	Unclassified	Unclassified			40.5	15	M+H	C20H43NO	-2.583056965	5671.604223	5398.375331	5437.710014	3409.983897	2787.929038	2147.950467	2982.728763	3649.215607	2905.628479	3228.791292	3245.234776	3326.292851	3061.252901	2563.79805	3369.018367	2993.922698	2974.293155	3405.616294	3220.64325
10.76_343.2486m/z	343.2486259	10.76428333	neg	19-HOME(9Z)	LMFA02000181	Lipids and lipid-like molecules	Fatty Acyls	Octadecanoids			40.5	9.28	M+FA-H	C18H34O3	-1.247022028	12246.04131	10036.05455	10831.95738	10578.99949	10805.0703	10635.51318	11298.03489	10779.29646	9675.112872	9728.971206	11001.05592	12022.84681	11255.70146	12355.40959	12545.79506	11635.69034	12112.7138	11459.94549	9544.993899
11.06_504.3096m/z	504.3096135	11.06195	neg	"PE(0:0/20:2(11Z,14Z))"	LMGP02050047	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			40.5	9.57	M-H	C25H48NO7P	0.099740948	19338.62668	16254.79253	17290.81303	19195.16553	16344.69678	13244.22118	22773.78586	18715.66176	23651.80706	10094.7168	18460.86051	30181.89925	23794.87726	19977.84063	21554.74537	22660.68989	21167.59129	19420.01513	20997.97718
11.15_414.2648m/z	414.2647647	11.14685	neg	Bimatoprost	HMDB0015041	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			40.5	10.5	M-H	C25H37NO4	-0.523830228	2173.614122	1834.369906	1919.150818	3449.080997	1790.986931	2177.840009	1370.146943	2202.990473	1977.543885	1107.954503	2856.151388	3090.646304	1840.456325	1976.741583	2655.659216	2914.952049	2765.649038	3477.112866	2411.154916
11.42_299.2589m/z	299.258854	11.42268333	neg	14-methyl-8-hexadecen-1-ol	LMFA05000034	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			40.5	6.76	M+FA-H	C17H34O	-1.237345819	36157.33199	32126.34887	34828.20653	33062.64274	34733.74304	34138.30773	34277.89364	34219.46163	38213.39579	34944.1474	36255.82207	34790.02513	36958.82998	34873.33695	36763.51236	36548.26096	35244.07763	34575.51721	33980.35494
13.29_331.2640m/z	331.2640289	13.2948	neg	"cis-4,10,13,16-Docosatetraenoic Acid"	45057	Unclassified	Unclassified	Unclassified			40.5	11.2	M-H	C22H36O2	-0.677290097	2783.90075	2772.734817	2425.156944	1756.816119	1972.364417	1504.471531	2408.974067	8004.967059	8887.064873	1200.087834	2538.269023	13517.57046	2634.881694	1976.932619	3270.454986	2437.411037	1488.457817	3699.05439	2233.362175
14.69_312.3254m/z	312.3254233	14.68663333	pos	Phytal	HMDB0035654	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		40.5	8.64	M+NH4	C20H38O	-2.270186448	10467.84894	6332.757184	7903.049934	7209.693318	8303.657787	7845.938789	9662.432657	8102.298666	7787.420291	8193.68875	7121.800483	6954.791666	6719.717639	8501.389699	6684.075051	8235.993363	8124.779615	8681.855975	7295.161055
15.76_253.1792m/z	253.179248	15.75651667	pos	Zedoarondiol	HMDB0036448	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		40.5	21	M+H	C15H24O3	-2.272536634	30508.57737	28472.38587	28903.30965	30112.17704	32060.06249	31280.08593	32056.0655	31950.84647	32376.71383	34169.4345	35093.67945	31119.19425	29482.91108	29506.30726	31420.75244	31255.44236	29520.84467	31122.29189	28705.7543
2.31_145.0738n	146.0810722	2.3126	pos	N-Butyrylglycine	5772	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.5	13.7	"M+H, M+Na"	C6H11NO3	-0.671714612	27723.40533	28494.66741	28594.57696	15609.51059	39061.87555	19623.99707	18126.5314	64809.60095	47495.59499	21654.67296	18275.76786	26561.9702	24771.04985	30007.431	27292.00321	24938.94891	32200.74255	23315.08304	21494.77453
3.04_239.1615m/z	239.1614901	3.040566667	pos	7-hydroxy-dodecanoic acid	LMFA01050166	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.5	6.76	M+Na	C12H24O3	-1.273240833	465261.7169	425479.0998	413006.7292	392755.0041	428837.4708	497755.4664	491620.7032	408430.272	430238.8745	427037.726	480907.853	448547.9728	385047.5627	397157.8828	395738.0172	415010.7307	441908.6119	441827.2014	367996.2535
3.66_360.0855m/z	360.0854698	3.65935	neg	S-Lactoylglutathione	HMDB0001066	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C03451	40.5	20.3	M-H2O-H	C13H21N3O8S	-4.285759053	9961.080801	10151.34811	10422.15533	11273.01336	10156.33739	8128.241471	7946.132644	15599.42665	16729.88321	9066.092774	10758.28513	12283.75915	8275.839866	9945.543778	9915.710984	10365.86856	9063.448336	7828.786251	7671.933156
4.92_246.1331m/z	246.1331323	4.92085	pos	Depdecin	LMFA05000013	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			40.5	9.17	M+NH4	C11H16O5	-2.04673208	1134.592788	1350.849928	1316.223556	888.1951292	1974.734596	956.0658037	814.4546654	3976.19624	2148.565918	1110.634875	665.4034672	676.3366376	1049.866177	894.2400821	989.3567847	785.3555838	950.9433196	947.0734149	815.6520401
5.08_259.1513m/z	259.1512753	5.0822	pos	Sapropterin	HMDB0000787	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	**	C00272	40.5	6.33	M+NH4	C9H15N5O3	-0.164254826	1086.298797	1512.367864	1192.984452	1162.433914	1254.775745	1541.212905	1956.915868	1913.333445	1845.843208	1226.737425	1925.343683	2113.176966	2238.02541	1577.376294	1314.051499	1549.920532	1254.155705	1468.227963	2116.441426
5.35_268.1553m/z	268.1553188	5.348233333	neg	Dihydrodioscorine	HMDB0029828	Organoheterocyclic compounds	Azaspirodecane derivatives	Unclassified			40.5	5.55	M+FA-H	C13H21NO2	-0.506397185	1269.752122	1656.902592	1422.031723	461.374119	1567.928654	7334.344223	249.4314007	225.4685508	151.9275224	7543.845259	186.5580708	289.6709289	370.4743158	331.8518323	806.3941355	465.4052728	739.4122739	288.326717	363.5165789
5.56_226.1078m/z	226.1078469	5.560616667	neg	"2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone"	HMDB0039784	Organoheterocyclic compounds	Dihydrofurans	Furanones			40.5	10.1	M+FA-H	C10H15NO2	-3.504619111	658.0457442	665.6422713	822.5306165	1038.446139	346.2834578	831.0201133	414.2240164	1789.999427	1737.633389	515.4625076	548.8548151	603.3473006	310.0703958	322.7497496	339.0878599	451.8792123	383.1900264	774.8979174	541.8737444
5.73_515.2913n	514.2840436	5.730166667	neg	Tauro-b-muricholic acid	LMST05040012	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		40.5	8.49	"M-H, 2M-H"	C26H45NO7S	-0.68655456	1369925.91	1402830.414	1391038.738	1199244.656	1444837.606	1952250.48	1162445.664	301694.901	1685956.733	1364673.618	1378044.288	913797.1279	932666.0697	990764.3923	4458095.753	991877.8404	1290269.23	2027221.788	877296.0336
8.25_158.1537m/z	158.1537403	8.2493	pos	"(3Z,6Z)-3,6-Nonadien-1-ol"	HMDB0030957	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		40.5	9	M+NH4	C9H16O	-1.429908879	23419.42323	23708.45962	22841.2856	23223.67913	22109.57764	22928.6364	24091.17473	23343.04026	23496.16013	23962.17428	24207.87846	23216.57216	22454.81035	22811.47988	24240.07344	23725.61746	22047.48765	23684.91954	22200.89449
8.89_287.2212m/z	287.221164	8.88895	pos	"8,9,16-trihydroxy palmitic acid"	LMFA01050100	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.5	8.79	M+H-H2O	C16H32O5	-1.715426561	11928.51604	11956.03195	11893.66234	11816.40412	11925.81418	12755.87414	10738.32084	11160.33625	11303.93708	12100.10859	12530.07904	11663.89498	11862.17257	11992.31396	11317.96367	12848.21575	10986.73618	11416.1228	11707.71463
9.25_195.1381m/z	195.1380627	9.245416667	neg	3R-hydroxy-5Z-dodecenoic acid	LMFA01050254	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.5	11.1	M-H2O-H	C12H22O3	-4.626395291	2411.832898	1995.405076	2396.454141	3078.399939	4426.554853	2709.972942	4298.780292	3952.31148	3973.862859	3090.993749	4060.883956	4222.69078	5228.36142	3663.491713	4741.515195	5148.351634	3059.166569	3750.334199	5537.771789
0.18_140.0816m/z	140.0816369	0.176983333	pos	2-Acetylpyrazine	HMDB0031861	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			40.4	9.7	M+NH4	C6H6N2O	-1.650920234	40336.96146	43939.25339	38499.56472	43780.85246	37211.19826	41318.51278	41407.01267	44193.81972	45140.25169	42948.87572	47151.4733	40414.42175	44919.24469	40696.82471	42563.22892	43094.42794	42507.81664	44064.11844	41326.93962
0.42_178.0992n	161.0958741	0.418316667	pos	4-(4-Methoxyphenyl)-2-butanone	HMDB0033597	Benzenoids	Phenol ethers	Anisoles			40.4	13.1	"M+H-H2O, M+H"	C11H14O2	-1.220174073	209151.2254	188181.5247	195137.4314	200380.3832	196256.8662	211161.591	205075.6478	215616.3454	203022.5557	211986.1851	217610.4653	182057.0182	191960.4688	193053.9911	200175.9658	200912.8425	192774.7646	209402.4528	191563.577
0.46_283.2640m/z	283.2640462	0.457466667	neg	(+)-Isostearic acid	4293	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C20356	40.4	5.66	M-H	C18H36O2	-0.730946021	155929.9287	144433.371	148621.4496	145461.4706	151484.7801	138313.516	147297.5375	143475.5886	142903.9028	151549.0892	143043.7274	149672.0206	153988.1472	158385.0672	156213.2557	154495.172	144362.9247	150882.9009	144330.7499
0.59_191.1389m/z	191.1389421	0.589883333	pos	N-Acetylisoleucine	HMDB0061684	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.4	5.53	M+NH4	C8H15NO3	-0.443375207	20044.89295	19045.47005	19283.52252	19778.45659	11771.94802	22618.36378	7911.536405	8331.409032	7844.455787	11855.53476	17182.5141	14350.04867	21008.07387	20525.56039	39291.50861	25435.8972	21338.78762	29396.51968	24448.56982
0.82_230.0185n	275.0215747	0.819	neg	D-Ribose 5-phosphate	HMDB0001548	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C03736	40.4	8.26	"M-H2O-H, M+FA-H"	C5H11O8P	-2.911147359	125839.2587	142512.3729	141619.8785	105717.6437	121206.9222	185923.9932	87331.91152	187076.5218	239841.2077	216106.1734	127677.3975	150940.2439	76176.72262	98897.07716	100458.1696	82807.68765	105828.6032	115876.9898	170343.4824
1.20_157.0739n	175.1075626	1.199533333	pos	N-Acetylproline	HMDB0094701	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.4	7.77	"M+H, M+NH4"	C7H11NO3	-0.275125187	8527.330362	9217.043321	9901.984599	4231.748361	14861.36468	5875.356656	12796.44719	3586.208656	4562.976679	12952.72994	6961.493174	3370.619888	10875.44245	14089.82227	12065.33446	12427.07421	10571.87892	6174.177116	8851.796416
1.99_202.0712m/z	202.0711637	1.9918	neg	beta-N-Acetylglucosamine	HMDB0000803	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C03878	40.4	17.1	M-H2O-H	C8H15NO6	-4.217325879	118.8869582	167.7362659	205.1108884	0.000297236	316.596295	24.9667922	29.91157816	1303.097307	321.5648536	30.1583748	58.05427098	118.73789	106.5372606	61.91796886	66.42194755	41.19448576	108.5762082	172.6423992	63.12726305
10.53_544.2681m/z	544.2681309	10.5305	neg	"PE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))"	LMGP02050053	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			40.4	3.01	M+FA-H	C25H42NO7P	0.077514499	246203.9573	231055.8933	253721.5235	360829.9953	286496.4061	289858.0073	300936.5007	242426.1482	264401.3042	339272.0084	341420.8105	276280.8162	266741.9816	268328.597	320826.4162	389656.5458	344197.5752	391394.5428	342808.1896
11.57_640.2923m/z	640.2922738	11.57193333	neg	12-Oxo-c-LTB3	HMDB0060154	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		40.4	10.2	M-H	C30H47N3O10S	2.080911662	65900.23242	67531.92976	64315.41751	62221.54965	63460.16108	63652.43825	74012.45735	50859.45604	56792.93937	54939.28746	68142.62551	63607.99833	68534.83265	67846.04502	65635.10576	68396.4918	69527.55014	63355.09911	57082.38905
11.73_258.2787m/z	258.2786593	11.72955	pos	7Z-hexadecen-1-ol	LMFA05000055	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			40.4	9.54	M+NH4	C16H32O	-2.005796276	12697.11514	12449.58564	12564.56591	12084.1762	13260.87656	11740.61979	12443.92868	11986.16014	11990.90481	12731.71349	12812.42257	11683.97136	11025.49361	11810.0966	12915.42274	12783.71925	12335.07373	13018.96405	12538.47837
12.54_967.6328m/z	967.6327608	12.54275	neg	"PI(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))"	LMGP06010723	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			40.4	20.8	M-H	C53H93O13P	4.808328818	7501.611731	7960.364204	6741.724279	8798.818589	10215.48281	10381.78989	7108.486578	9769.481441	11596.07356	9273.183446	8658.999382	14134.47854	8140.358585	9283.004951	9451.658376	8134.212142	10977.78633	8398.670128	9154.176878
15.53_180.1127m/z	180.1127381	15.52508333	pos	Norcotinine	HMDB0001297	Organoheterocyclic compounds	Pyridines and derivatives	Unclassified			40.4	14.2	M+NH4	C9H10N2O	-2.470463237	9730.654696	8426.749805	9806.506531	10160.41945	9523.932417	9696.91667	8743.451825	10894.98481	10813.09213	10651.07646	10352.10467	9972.244121	9573.981828	9484.243977	9446.969867	10166.19512	10666.55393	9889.897098	9502.301841
15.74_229.1430m/z	229.1430163	15.73598333	pos	3-Hydroxydodecanedioic acid	HMDB0000413	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives			40.4	12.5	M+H-H2O	C12H22O5	-1.7031448	7650.660746	6644.341049	7158.027147	7662.80306	7699.247059	6542.928022	7129.72264	8094.268786	8527.790658	7643.055582	8102.193255	7725.221723	7188.101708	7697.623069	7891.338659	7603.051997	7690.788993	7288.694385	7100.557743
15.76_257.2469m/z	257.2469394	15.75651667	pos	Isopalmitic acid	HMDB0031068	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		40.4	8.66	M+H	C16H32O2	-2.213819289	2993.123609	3650.885139	3199.593394	3311.4493	3456.833041	3478.418738	3578.509664	3604.715772	4816.854003	3597.89997	4146.585341	3334.361668	3311.045752	2736.681092	3332.104945	3468.107951	2672.835478	3172.193158	3009.03908
2.04_320.0962m/z	320.0961568	2.039616667	pos	1-Methylguanosine	HMDB0001563	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified		C04545	40.4	13.3	M+Na	C11H15N5O5	-1.287462221	4917.146452	5979.620529	5276.320063	7504.366719	4405.925408	4470.175072	3286.609096	5345.607884	4792.106109	3617.95457	3805.191934	15869.56544	4747.659669	4205.26234	7288.418816	7704.365604	4256.953161	6750.268303	6491.663296
3.48_176.0739m/z	176.0739033	3.477533333	pos	"S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate"	HMDB0037786	Organoheterocyclic compounds	Dihydrofurans	Unclassified			40.4	8.92	M+NH4	C7H10O2S	-0.460479326	8682.113641	10275.53292	8623.536626	6942.382592	8516.464783	8656.464738	10246.22653	5486.015262	6948.513743	11278.78098	8555.448758	9216.287179	10748.92418	10021.24421	9105.305011	9989.68056	8978.3075	7099.643458	7689.864836
3.54_130.0651m/z	130.0651347	3.538083333	pos	Isoquinoline	HMDB0034244	Organoheterocyclic compounds	Isoquinolines and derivatives	Unclassified	***	C06323	40.4	3.82	M+H	C9H7N	0.07023676	15413.36897	16356.20122	16604.33117	15691.17408	14978.99191	15547.09045	15042.17171	13484.47963	12798.63975	16003.80311	15356.85435	16176.79045	16411.76674	17171.56471	17138.21847	15957.76926	16879.89209	17402.14114	16818.74886
4.42_267.0871m/z	267.0871343	4.4158	neg	"5-(3,4-Methylenedioxyphenyl)pentanoic acid"	HMDB0034056	Organoheterocyclic compounds	Benzodioxoles	Unclassified			40.4	16.4	M+FA-H	C12H14O4	-1.24939725	232.2939	250.9072406	144.6519375	32.13164735	80.59553621	134.4503198	0.000297236	125.5764333	210.8675467	32.15007442	53.74215943	1376.886367	0.000297236	44.26319267	0.000297236	0.000297236	0.000297236	32.64811521	0.000297236
4.74_227.1252m/z	227.1251519	4.738216667	pos	"(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol"	HMDB0039974	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		40.4	8.16	M+Na	C10H20O4	-1.116424309	2161.745344	1677.562441	1552.950853	1463.997551	1496.111142	2753.08274	1497.056626	1691.188174	1611.175399	2210.510301	1616.179793	1614.534719	1513.15786	1443.872048	1667.706604	1246.872644	1632.513579	1661.754046	1404.466124
5.17_365.2331m/z	365.2331192	5.168066667	neg	15S-HETE	LMFA03060001	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C04742	40.4	7.44	M+FA-H	C20H32O3	-0.713779126	1432.133053	1582.763571	1402.268986	2806.696574	626.0221084	781.7499435	1383.622939	468.2467019	263.3283323	741.1080976	2926.048735	922.5376911	1767.553793	2081.285181	3088.017754	2471.60689	2309.69843	3077.246266	1666.856297
5.80_200.1278m/z	200.127756	5.799833333	pos	4-octenoylglycine	HMDB0094803	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.4	6.54	M+H	C10H17NO3	-1.827074363	18267.35933	18575.94993	19026.11236	18886.68791	15636.00191	30031.61314	24611.09556	4635.240634	18009.63353	26662.77969	23482.35733	20180.60461	18011.98373	20858.18765	17870.75441	11027.71667	18456.5534	14066.54459	19028.18675
6.68_200.1282m/z	200.1282374	6.682883333	neg	Capryloylglycine	HMDB0000832	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.4	10.1	M-H	C10H19NO3	-4.870401174	4816.580444	4778.78189	5180.232469	4347.000207	6049.629944	4978.081435	4264.112627	4413.658768	7867.276587	5443.602831	6501.115964	5626.396257	4513.887325	4889.646309	5159.485829	8136.874025	4595.164886	4527.243944	7187.503142
7.43_513.1362m/z	513.1362374	7.43125	pos	"6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside"	HMDB0036214	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		40.4	5.94	M+K	C21H30O12	-1.364743312	8037.649822	8215.742136	8218.954332	8359.25776	8206.645969	8034.792291	8571.133277	8365.425636	8218.366229	7973.924737	9591.945537	7834.768478	8160.602238	8391.039833	8028.00154	8515.94555	8140.995065	8034.782049	7633.628225
9.01_172.1693m/z	172.1692707	9.0078	pos	Piperitol	HMDB0035838	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		40.4	6.65	M+NH4	C10H18O	-2.076421742	4349.095871	4182.909947	4176.925385	4126.439685	4753.231144	4497.02333	7202.461856	5315.361821	4653.306962	4888.809222	5576.489587	5280.037331	4949.945666	4930.52158	5068.415478	4462.280499	3923.932607	4680.000426	5706.805287
9.11_262.1434m/z	262.1433583	9.108616667	pos	(±)-Metalaxyl	HMDB0031802	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C10947	40.4	7.02	M+H-H2O	C15H21NO4	-1.474567922	16513.21164	20730.01965	16044.29608	15758.96637	20992.63618	14811.63876	20949.26153	23675.42097	24195.09073	20104.43798	21164.38051	13724.35526	14364.04445	18104.7373	25277.51277	20398.78777	15008.57882	15127.87063	16663.34576
0.62_323.1458m/z	323.1458453	0.623133333	neg	Valaciclovir	HMDB0014716	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C07184	40.3	12.6	M-H	C13H20N6O4	-4.570058986	25792.81484	34036.77885	27901.28225	39091.71166	30974.21697	26985.25095	35960.78842	23965.81211	27889.59469	24641.1711	34710.70428	52821.84088	30895.21394	30884.58648	30562.47919	27825.06048	30438.67427	29492.42581	34685.44662
0.64_325.0532m/z	325.0531602	0.641183333	neg	Acetylcysteine	HMDB0001890	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	*	C06809	40.3	3.41	2M-H	C5H9NO3S	-0.587975221	23411.07394	21534.92697	22168.84439	23364.62489	22338.95191	23982.30503	21866.98149	21945.50512	22194.22515	22070.40626	20586.60363	22605.46622	22483.89936	22627.62701	19591.05758	23953.75857	21121.5217	23019.16778	27651.7958
1.04_437.0861m/z	437.086122	1.043083333	neg	Hosloppin	LMPK12110186	Lipids and lipid-like molecules	Polyketides	Flavonoids			40.3	13.9	M+FA-H	C22H16O7	-4.294096659	6488.123046	6756.224134	6871.644558	8826.050135	11450.07077	8931.089586	4644.614828	4846.705001	5803.461627	12582.2583	4588.384023	5280.237074	7447.255786	6348.162394	9580.980857	7955.538542	9023.515979	4284.095717	4956.901989
1.34_215.0724m/z	215.0723736	1.336933333	neg	Aloesol	HMDB0035712	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			40.3	12.5	M-H2O-H	C13H14O4	4.296785816	30275.5814	30065.93251	30082.20094	8712.946825	33857.49567	7959.443063	13364.87947	104512.1907	73690.46545	9840.042519	22312.29728	35625.50693	27072.8675	36381.11958	25898.48108	24919.43226	25995.06577	13625.59197	32809.63181
1.44_229.1433m/z	229.1433381	1.438566667	pos	3-hydroxy-dodecanedioic acid	LMFA01170089	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.3	4.26	M+H-H2O	C12H22O5	-0.395876481	4789.902214	4257.095182	4500.708988	4377.84443	4266.978295	4595.525623	4683.257365	4496.626378	4415.28666	4569.197278	4851.951863	4526.908909	4305.541484	4662.147535	4899.076392	5344.105335	4363.655802	4619.590283	4198.391643
1.83_217.1547m/z	217.1547287	1.826466667	pos	Valyl-Valine	HMDB0029140	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.3	6.06	M+H	C10H20N2O3	0.276373091	9955.408919	9588.725413	9946.160105	9783.338011	10222.86275	9621.837289	10948.60131	8107.728102	6091.379241	10751.20924	8323.878175	6776.029455	11193.52544	11792.23203	11424.35595	10252.80194	10035.83244	8833.873902	11260.14605
10.09_453.3212n	454.3285148	10.08928333	pos	PC(O-14:0/0:0)[U]	40382	Unclassified	Unclassified	Unclassified			40.3	5.86	"M+H, M+Na"	C22H48NO6P	-1.514343506	346259.3087	351269.285	329823.9048	440942.1326	392127.6481	329593.0378	394014.416	276449.4469	455770.5239	312846.6283	397752.1126	445127.4371	523890.6398	510758.0236	354310.1705	299636.5472	325636.5788	322782.5587	496093.0046
10.11_256.1916m/z	256.1916051	10.10533333	neg	Ethyl menthane carboxamide	HMDB0037834	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		40.3	4.66	M+FA-H	C13H25NO	-1.004981361	4179.837902	4069.639569	4027.343058	3204.943014	4929.220352	3488.292477	2960.781611	5582.474104	8639.601676	2199.590558	4066.146306	6008.757147	3773.171569	3433.933887	4149.767372	3389.876869	4994.584289	3215.669253	4446.38518
10.20_468.3680m/z	468.3680312	10.19575	pos	"3alpha,7alpha,24-Trihydroxy-5beta-cholestan-26-oic acid"	LMST04030062	Unclassified	Unclassified	Unclassified			40.3	6.45	M+NH4	C27H46O5	-0.708116056	3669.774989	4116.121036	4287.577399	1649.180759	2424.475908	2664.473861	2894.993451	15979.83651	10088.61846	1477.586482	1707.737301	10709.89507	2558.395638	2332.160442	1334.8231	2848.258958	3079.437649	1475.973264	1860.852574
10.30_340.3202m/z	340.32023	10.29878333	pos	"(3R,4S)-(6S,7R)-Diepoxy-9Z-heneicosene"	LMFA12000316	Lipids and lipid-like molecules	Fatty Acyls	Oxygenated hydrocarbons			40.3	9.55	M+NH4	C21H38O2	-2.407818539	4439.819511	4918.414192	4778.782623	3215.204877	8752.21511	9884.474107	3897.446602	1184.746762	1424.13706	3837.711705	3974.992581	1485.339131	7585.937285	6249.324241	3777.84163	4712.635912	3647.666796	6449.852297	6346.318772
10.32_522.2820m/z	522.2820103	10.31965	pos	1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoserine	LMGP03060007	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			40.3	9.93	M+Na	C22H46NO9P	3.546981813	32492.64482	38487.46408	34905.59118	36841.68142	28147.52732	39397.95087	36175.35418	25092.05657	26740.2614	25919.59374	29507.43377	33662.5394	37465.13906	39473.2626	41568.63352	39713.01541	43763.39126	39894.56697	47594.6879
10.46_229.1432m/z	229.1431903	10.4628	pos	5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid	HMDB0030994	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	*		40.3	9.56	M+H	C12H20O4	-1.074869226	4810.725002	4177.045377	4093.350917	4458.424231	4028.273076	4264.536467	4191.577409	4116.788286	4534.199164	4307.648352	4348.597623	4284.871245	4071.896097	4394.415056	4382.60415	4667.268799	4500.473895	4363.187334	4384.197913
10.67_266.1641n	267.1713832	10.67348333	pos	Tributyl phosphate	70062	Unclassified	Unclassified	Unclassified			40.3	13.1	"M+H, M+Na"	C12H27O4P	-2.213595603	4683.586646	5807.040119	5917.88562	20208.40986	12319.8937	8566.340452	12574.7801	15561.90111	11103.88759	14705.27228	10438.66586	12854.22873	10448.40649	10217.62161	13610.71738	13903.02387	14284.75657	14223.2153	8349.880401
10.93_594.3394m/z	594.3393647	10.93288333	neg	PC(16:0/3:1(2E))	LMGP01010668	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			40.3	10.7	M+FA-H	C27H52NO8P	-3.444835769	64967.95456	77593.19102	77769.40329	68415.4706	70847.01781	66355.06132	71308.5985	46455.96529	57720.27601	53556.59895	67762.51872	49944.3846	76239.65488	69222.78852	60922.38862	58748.1313	58285.77705	62673.72722	70681.18264
11.34_249.1492m/z	249.149172	11.33778333	neg	Gemfibrozil	3023	Benzenoids	Phenol ethers	Unclassified		C07020	40.3	13.2	M-H	C15H22O3	-1.783575092	5818.014599	5483.985446	5651.318108	3980.259931	6704.081059	4160.703408	6722.216269	7314.367991	7803.136981	8737.053061	5719.574875	4016.693558	4764.099328	10490.50837	6055.953452	5636.761383	4110.055937	4146.281396	4587.104969
12.16_351.3129n	352.3202035	12.15825	pos	"Anandamide (20:2, n-6)"	LMFA08040002	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			40.3	8.76	"M+H, M+Na"	C22H41NO2	-2.284271171	73045.43034	43127.14114	70141.45691	53385.09809	50369.94557	63985.64327	45616.0072	53238.07314	63280.02476	39800.44293	55527.95682	62600.12098	39379.5376	36506.51451	42044.72977	50373.031	46034.90133	75682.61364	65291.96994
15.72_115.1119m/z	115.1118815	15.71671667	pos	1-Ethoxy-3-methyl-2-butene	92824	Organic oxygen compounds	Organooxygen compounds	Ethers			40.3	9.65	M+H	C7H14O	1.227148289	21189.99129	17750.98859	19482.29561	20954.20517	20458.75035	19722.19335	21336.86476	19916.69754	20018.2848	20179.28349	21896.72695	17958.30704	17986.06112	18742.92002	21080.63748	20522.09077	19478.85228	19661.93982	19191.95468
15.76_111.0442m/z	111.044205	15.75651667	pos	Osmundalactone	HMDB0031303	Organoheterocyclic compounds	Pyrans	Pyranones and derivatives			40.3	9.7	M+H-H2O	C6H8O3	1.16464393	24586.29378	20689.64612	19885.50188	20633.0827	21271.10711	21931.67129	29033.00365	29040.94482	24691.80498	24568.35021	27107.56128	20843.01437	21597.18842	19898.8757	20761.23212	21864.36861	20690.48027	20500.49681	19843.78614
2.00_164.0739m/z	164.0738748	2.002466667	pos	S-Propyl-L-cysteine	89847	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.3	8.4	M+H	C6H13NO2S	-0.621341729	6196.38796	6841.507689	6287.321085	7307.682999	5701.552715	8455.641526	8218.873897	4348.906233	3625.069747	6822.023454	6162.033118	4741.719593	9839.839613	7878.129541	7525.110845	5984.526552	6715.475518	6115.61336	10362.48601
2.90_285.2785m/z	285.278474	2.902133333	pos	octyl decanoate	97188	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			40.3	7.41	M+H	C18H36O2	-1.170662566	55841.75381	48240.0634	50295.93855	52158.01008	53357.64517	53810.22595	52669.74402	52347.68509	51758.6341	53264.03421	53141.63348	53058.3843	50695.91997	49001.79737	50964.00849	55038.52128	50484.15048	52797.78753	47744.07012
3.48_206.0481m/z	206.0480764	3.477533333	pos	p-Cresol sulfate	HMDB0011635	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			40.3	6.25	M+NH4	C7H8O4S	-0.419495683	23608.28205	24664.59309	23579.08132	33747.4853	10299.43492	20375.80086	11044.04899	35391.61172	33537.05553	11157.92203	18484.02904	53466.2367	17161.61893	13198.45865	22287.5695	18338.98546	25145.12231	34358.2381	29994.7727
3.89_160.0967m/z	160.0967066	3.890083333	pos	Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate	HMDB0061678	Organoheterocyclic compounds	Pyrrolidines	Pyrrolidine carboxylic acids and derivatives			40.3	6.62	M+H	C7H13NO3	-0.71080845	5986.756774	6390.207318	6391.798739	5842.555292	7925.337582	2653.678486	5614.619969	14458.72195	8688.028269	3994.131537	4375.481415	6797.355254	5666.345116	7343.680582	5178.750685	3178.983141	9162.849241	6317.5741	5294.497926
4.56_193.0470m/z	193.0470204	4.5621	neg	Temozolomide	HMDB0014991	Organoheterocyclic compounds	Imidazotetrazines	Unclassified			40.3	11.5	M-H	C6H6N6O2	-4.774909393	527.0647875	634.1960842	597.4685023	157.8007687	408.9934815	470.189733	221.2206122	5018.655838	910.4643653	371.0574018	197.9244768	372.106854	212.9395344	174.2056139	318.2453163	186.3623095	323.5796573	256.5276394	239.474509
8.37_353.2333m/z	353.2332841	8.366083333	neg	"5-Butyl-3,4-dimethyl-2-furannonanoic acid"	HMDB0112100	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates			40.3	5.08	M+FA-H	C19H32O3	-0.206659198	4264.036577	5172.495821	4570.135073	4660.756714	3612.768571	7080.530645	4912.646444	1540.404768	1029.770969	4002.0152	3864.195451	3494.454786	3747.192956	3728.897498	5370.351493	4741.930227	5932.5569	6759.435399	4955.34525
8.88_378.2770n	377.2697311	8.875916667	neg	"9-deoxy-9-methylene-16,16-dimethyl -PGE2"	LMFA03010059	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			40.3	5.88	"M-H, M+FA-H"	C23H38O4	-0.005644722	5243.422814	6069.615758	7635.395088	6630.557634	2478.310416	4517.43426	9763.852121	49.23895196	162.4961781	12254.97656	11610.17924	230.7806073	969.6697964	1875.428708	13066.9684	9936.624432	8848.04478	14198.57179	1256.607579
9.27_287.2211m/z	287.2211411	9.271366667	pos	Aleuritic acid	LMFA01050101	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.3	8.48	M+H-H2O	C16H32O5	-1.790600307	11892.0972	11637.94316	10272.68861	10979.45905	10808.36068	11359.08922	10758.16186	10630.11081	11279.17231	11052.51555	12388.93782	10669.51865	9969.494353	10077.22981	10916.63078	10030.68826	10196.49899	9932.443536	9681.652297
0.06_125.0707m/z	125.070665	0.06475	pos	Methylimidazole acetaldehyde	HMDB0004181	Organoheterocyclic compounds	Azoles	Imidazoles	**	C05827	40.2	5.31	M+H	C6H8N2O	-2.210927988	93106.50819	89731.74644	90230.52388	96262.60903	85785.54274	89015.4983	92901.03096	95257.38944	95416.38357	91897.06158	101329.0712	85310.97679	89186.12287	82604.46294	94555.4349	91319.15997	92363.7446	98853.69967	92178.32729
0.61_108.0691n	126.1027436	0.60835	pos	"2,5-Dimethylpyrazine"	HMDB0035289	Organoheterocyclic compounds	Diazines	Pyrazines	*		40.2	10.6	"M+H, M+NH4"	C6H8N2	3.64249128	55783.35484	56053.64684	57736.80039	63216.38769	64359.9406	50690.00896	48879.52207	97465.32985	74219.96687	65619.23798	57914.60776	45599.15568	37586.8082	42695.67771	33404.74488	40262.25018	48032.03353	33341.80196	63351.16856
0.73_235.1648m/z	235.1648375	0.729216667	pos	O-propanoyl-D-carnitine	LMFA07070099	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			40.2	5.47	M+NH4	C10H19NO4	-1.824160538	793814.6156	842918.9258	890136.8573	554938.9824	1346557.599	1429941.658	892857.9575	1096875.918	1098036.756	1409334.2	642285.0613	557056.5937	854318.7392	666473.902	926975.0318	718912.8635	1024424.047	457826.9704	565839.3017
0.94_269.0878m/z	269.0878067	0.937716667	neg	D-erythro-L-galacto-Nonulose	HMDB0029955	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			40.2	4.37	M-H	C9H18O9	0.003455249	12442.44866	12876.60181	13265.20708	12995.12164	15882.80227	12791.21377	13522.0632	13314.81195	11800.45686	17271.59024	13893.2258	10651.76711	12185.61858	12215.12126	13666.54594	12140.36467	12318.95752	12772.7724	15018.59835
1.02_540.0540m/z	540.0540331	1.022333333	neg	Adenosine diphosphate ribose	HMDB0001178	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine nucleotide sugars	**	C00301	40.2	10.8	M-H2O-H	C15H23N5O14P2	0.358697482	2705.649644	2978.085428	3099.932182	3927.000094	3832.752131	4252.321286	5268.170794	3760.918735	4264.699257	4391.322149	2971.974571	1748.103403	3903.53577	2464.279121	3886.448186	2817.088392	2816.883552	2758.746341	3325.228325
10.05_414.2036n	437.1928246	10.04785	pos	Eplerenone	HMDB0014838	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones		C12512	40.2	6.96	"M+H, M+NH4, M+Na"	C24H30O6	-1.512486607	1249991.115	1201360.476	1296153.299	911314.8112	1128480.337	877456.0631	837730.6904	849169.2329	878961.1076	823988.8153	787508.8773	858514.0766	904554.3399	828830.9591	888188.1514	856438.7117	839342.4003	1142173.023	821540.2859
11.69_776.5633m/z	776.5633187	11.68771667	pos	"GlcCer(d18:2(4E,8E)(9Me)/18:1(3E)(2OH[S]))"	LMSP0501AA82	Lipids and lipid-like molecules	Sphingolipids	Neutral glycosphingolipids			40.2	13.8	M+Na	C43H79NO9	-1.838018493	449372.8888	335955.5078	371998.8292	417761.4697	398040.8678	413288.9327	432825.7117	461029.6433	474717.8884	475298.9169	482927.7409	558197.0037	383992.7568	489306.0345	535903.5031	309776.4326	403469.2679	464642.0024	392873.1838
11.71_600.4017m/z	600.4016583	11.7083	pos	LysoPC(22:1(13Z))	HMDB0010399	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	40.2	11.3	M+Na	C30H60NO7P	2.940203203	17804.68051	16413.91205	18196.35652	16323.02261	11962.26451	12938.69441	18071.2288	16828.60373	22509.10894	12788.97733	13796.86959	24384.61674	14566.73332	14838.76413	19490.19356	15791.19421	20886.96046	16972.55606	14865.54699
11.78_418.2961m/z	418.2961247	11.78411667	neg	N-Palmitoyl tyrosine	HMDB0062340	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.2	6.62	M-H	C25H41NO4	-0.376104113	2986.562247	2758.650156	2684.39735	5294.663968	2062.117851	3688.60612	2439.691465	4306.08614	3206.228504	1646.010231	2910.366658	4963.013811	3107.675847	2341.459283	2929.736923	3081.122823	2570.638747	4406.511923	3206.336909
2.05_284.0302m/z	284.0302334	2.054766667	neg	2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine	HMDB0006211	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C04640	40.2	9.19	M-H	C6H12N3O8P	4.591695101	9056.175298	9550.961423	9507.682274	10884.31733	10552.07413	9361.056383	9872.195599	8939.364986	7484.330096	9524.83182	10090.5231	8466.283315	10306.17956	10355.17905	9701.460782	9455.258663	9149.223597	10389.74962	11032.90849
2.44_249.0859n	294.0844722	2.437316667	neg	S-Acetyldihydrolipoamide-E	HMDB0006878	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	**	C16255	40.2	12.4	"M-H, M+FA-H"	C10H19NO2S2	0.529613086	13389.6433	13234.70136	13290.73386	16981.00617	15187.03198	19671.73928	17760.83828	13772.57651	13319.91768	18870.9605	16050.2274	7640.850889	11020.34356	11799.51484	13147.86095	11616.82031	12688.38812	12487.01148	12886.46739
2.74_264.0815m/z	264.0815174	2.743033333	pos	albendazole S-oxide	HMDB0059609	Organoheterocyclic compounds	Benzimidazoles	Unclassified		C02809	40.2	17.6	M+H-H2O	C12H15N3O3S	4.956801098	22336.93949	22121.57188	21361.45724	24148.85963	20263.41824	22451.27192	22844.8451	15494.22581	18418.09066	21360.36029	21716.41766	22098.91392	27170.03105	25386.30632	21196.01468	22500.45076	19761.1834	23206.8473	20781.89773
3.31_254.1262n	255.1338264	3.314116667	pos	Pyrraline	HMDB0033143	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.2	7.47	"M+H-H2O, M+H"	C12H18N2O4	-1.666235445	3283.01779	2799.672809	3546.094259	1942.332174	5674.655734	14441.87501	2558.738364	2154.932945	2818.122999	16410.16968	2225.69292	2001.520039	2188.662487	2491.112709	2347.581792	2786.814541	1982.476559	2149.808172	2090.186457
4.42_163.0388m/z	163.038819	4.4158	neg	4-Hydroxycinnamic acid	HMDB0002035	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	***	C00811	40.2	15.5	M-H	C9H8O3	-7.61193345	3284.112492	3097.319146	3304.538986	1970.959704	1691.376823	1850.506466	1882.818039	8408.575158	8566.651361	1622.205196	2061.492207	6740.825891	1791.54166	1806.665376	2226.251851	2248.175253	2020.303771	2006.723961	1974.745285
7.30_491.1195m/z	491.1195163	7.303466667	neg	"5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside"	LMPK12100039	Unclassified	Unclassified	Unclassified			40.2	2.24	M+FA-H	C22H22O10	0.037040763	94287.3178	74106.75223	75198.13616	81474.5832	74177.19537	73583.55702	81526.91342	78474.32845	84183.14407	79731.87463	78603.58244	86099.81982	85557.91949	101203.3875	86227.24934	82718.18914	85024.89652	72877.19322	89553.01229
8.61_285.2783m/z	285.2782587	8.607066667	pos	hexyl dodecanoate	LMFA07010466	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		40.2	5.51	M+H	C18H36O2	-1.928036779	3902.990995	3560.959098	3533.029946	4007.291538	3565.601318	4140.637341	4240.985479	3390.050945	4293.800707	3513.95334	3753.749286	3943.706914	3085.994024	3477.190048	3755.266761	3310.300668	4212.210602	3439.536862	3445.022103
8.89_259.1900m/z	259.1899892	8.88895	pos	1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate	HMDB0059947	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		40.2	15.2	M+H	C14H26O4	-1.535800513	6103.665459	5174.081155	5915.072885	6151.027212	5917.240752	5740.946984	5996.173955	6082.335038	5155.25268	6225.974197	5843.912227	5821.314246	5896.903284	5372.945674	5530.972955	6392.272124	5119.162108	5920.1229	5943.221044
9.07_309.1707m/z	309.1707163	9.06845	neg	"all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid"	LMFA01050502	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.2	12.4	M+FA-H	C16H24O3	-0.118133175	3976.350066	3539.042523	3933.131932	3562.68869	4890.642091	2072.056447	4014.103282	3905.789812	4690.378851	3516.928517	3144.717477	3223.400239	2531.695392	4394.574209	4549.314939	4940.069163	3050.493465	4741.299207	4144.27592
0.44_123.1172m/z	123.1172246	0.439416667	pos	"2,6-Nonadien-1-ol"	HMDB0031262	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		40.1	10.9	M+H-H2O	C9H16O	2.838716064	136219.3549	79778.34906	88911.51865	92011.34629	86076.45843	97097.60399	90925.02536	92657.97498	84070.64845	91705.64953	121207.125	82242.3723	81674.47878	76460.64881	79104.03853	77269.79112	72950.30427	83554.8869	75266.33288
0.46_197.0961m/z	197.0961421	0.457466667	neg	Anacyclic acid	LMFA01031031	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.1	8.63	M-H2O-H	C14H16O2	-4.842327248	20562.91668	20028.03133	20027.44945	19038.85635	20835.36412	18854.65369	19658.23878	20703.17135	19777.82754	20409.80803	20744.64904	19432.17211	20933.892	21564.16585	21578.47295	21626.75669	19880.0902	20579.09274	19657.78685
0.75_279.0511m/z	279.0511322	0.746966667	neg	Benzoyl glucuronide (Benzoic acid)	HMDB0010324	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			40.1	8.5	M-H2O-H	C13H14O8	0.355355133	97231.85436	115441.3251	80201.02225	68645.34226	136801.9761	80897.50829	81014.06928	189843.2345	126836.8378	112132.5913	63439.11316	77887.81061	119376.6668	121306.5747	120228.9901	82558.2219	90138.0193	95138.2118	112184.9273
0.76_159.0512m/z	159.0511788	0.764	pos	Allantoin	89	Organoheterocyclic compounds	Azoles	Imidazoles	*	C01551	40.1	6.02	M+H	C4H6N4O3	-0.554819147	16131.44062	18575.35891	19437.82974	20456.52524	21036.55532	9198.748946	17911.47743	29373.06604	15624.96138	9864.01469	17463.13306	25444.76515	14655.05096	16603.68984	20616.72051	15552.09728	14270.84067	13248.25816	19556.24258
1.16_162.0409m/z	162.0409421	1.1608	neg	L-Aspartate-semialdehyde	HMDB0012249	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00441	40.1	7.49	M+FA-H	C4H7NO3	1.248369923	946.3299393	971.7369223	1060.693787	1217.581566	718.2012315	920.5284658	483.8074945	1321.843877	889.9375679	718.2507939	689.3679265	1166.4967	668.390023	837.9096303	1121.789282	893.0783016	1044.814771	1390.165858	1350.042873
10.11_258.2060m/z	258.2059642	10.11088333	pos	L-Menthyl acetoacetate	HMDB0032369	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		40.1	6	M+NH4	C14H24O3	-1.690302982	4691.431053	4356.730364	4211.839494	3474.609674	4728.32135	3479.765134	3088.687654	5585.683483	8349.357646	2937.819567	4276.904638	6446.422398	4172.782712	3307.587163	4907.311468	3996.084015	5243.240753	3441.073662	4424.978193
10.25_600.2037m/z	600.2036583	10.25406667	neg	"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}-2-hydroxy-1-(4-hydroxyphenyl)ethyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid"	HMDB0129016	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.1	11.1	M-H2O-H	C29H37N3O10S	2.477426525	17932.84945	17409.90714	18057.99294	22006.5463	22945.53125	19560.2194	19668.89159	11234.72309	14344.03332	19539.9891	18030.41478	16126.45738	22867.73843	21662.36177	22578.70176	22128.084	23016.2542	21411.67539	23138.13981
11.36_295.2276m/z	295.2275513	11.35938333	neg	(±)9-HODE	35487	Unclassified	Unclassified	Unclassified			40.1	5.53	M-H	C18H32O3	-1.07074911	23468.72412	26172.78476	26543.16456	20538.64534	26091.55025	24494.50632	17186.43429	23537.13276	26078.89116	19960.78184	17563.96387	29941.71714	28761.86161	20195.42326	15949.61964	22665.30356	19801.43039	21754.83185	20495.84043
11.44_468.3103m/z	468.3103	11.43953333	pos	N-arachidonoyl tyrosine	LMFA08020076	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.1	13.1	M+H	C29H41NO4	-1.145381999	6308.909747	4542.89093	6192.914782	10455.21878	4484.91849	6793.8931	5400.590622	7468.702963	6786.503675	3461.269051	5147.171517	11119.40802	4939.764109	4966.638832	6203.724001	7593.083338	7694.718758	8436.738857	6098.949706
12.42_524.2990m/z	524.2990451	12.41668333	neg	LysoPE(0:0/18:1(9Z))	HMDB0011476	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		40.1	3.79	M+FA-H	C23H46NO7P	-0.724380679	336697.2162	389208.7151	384698.2507	460570.6531	395910.6655	399958.0288	395904.8339	365938.6967	380473.1407	364894.5975	420941.2996	441276.4815	363258.2072	312243.0451	357760.1846	423648.8828	474084.27	439723.4915	434357.0321
15.76_131.0815m/z	131.0814689	15.75651667	pos	D-1-Amino-2-pyrrolidinecarboxylic acid	86950	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.1	6.22	M+H	C5H10N2O2	-0.269832417	14019.00234	15707.80788	15914.43311	15308.90771	12749.23674	13147.74882	14628.72291	13222.48214	17742.81144	13724.87487	15129.41124	16467.00172	15564.40017	15711.57735	15007.29397	16213.13559	14951.45527	14460.64223	15057.15568
2.46_249.0625m/z	249.0624783	2.458216667	neg	"3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one"	HMDB0041031	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		40.1	7.34	M+FA-H	C8H12O6	4.348303567	3071.100016	2798.441848	2988.940641	2546.905498	3109.134659	3216.837622	2434.494093	2177.75919	1684.765321	4219.438624	2112.460888	2365.334415	3118.996793	2837.039721	4251.712067	2906.575312	4063.977037	3424.340261	4425.290081
2.97_450.0879m/z	450.0879203	2.966683333	neg	4-Phenylbutyl glucosinolate	HMDB0038415	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			40.1	18.8	M-H	C17H25NO9S2	-4.160266953	29148.41461	28390.00955	27949.2025	20676.08039	28218.52678	54496.19409	19224.14387	28197.93888	38052.56238	44581.48166	27484.12363	19747.96945	26227.04708	33441.3118	24889.9308	22454.75461	22063.69799	23479.08642	34322.35492
3.16_105.0702m/z	105.070204	3.156716667	pos	4-Ethylphenol	HMDB0029306	Benzenoids	Phenols	1-hydroxy-2-unsubstituted benzenoids		C13637	40.1	8.97	M+H-H2O	C8H10O	2.68165153	18250.0844	15203.78721	15888.93404	15883.42882	16565.66054	16033.34011	17736.26918	15921.58628	16754.00174	16936.78498	17781.65406	16115.28454	15229.70531	15632.17381	17041.10832	16278.07457	15123.00433	15907.19512	14028.49163
3.53_701.1041m/z	701.104082	3.534466667	neg	"[5-(5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid"	HMDB0127314	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			40.1	15.4	M+FA-H	C27H28O17S	1.76602945	13201.19166	14028.98443	13266.24386	15171.299	11654.27778	13609.85681	12324.33759	12790.83943	12154.35468	13940.18694	15780.5929	12720.4195	13619.9012	14561.31419	13456.00599	14634.38848	14665.6788	15244.30491	12894.78231
4.55_187.1207n	170.1173882	4.5538	pos	N-Heptanoylglycine	HMDB0013010	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40.1	2.91	"M+H-H2O, M+Na"	C9H17NO3	-0.892461322	4060.143862	3975.422082	4061.338504	4862.976798	5034.34642	3167.916266	4696.522487	5221.412105	5029.035377	6099.065562	4904.742906	4108.800001	3403.324695	4721.351963	6356.777726	5038.152367	3538.604858	4076.79844	4412.897639
4.74_232.0845n	233.091751	4.738216667	pos	Phenobarbital	1817	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives		C07434	40.1	4.13	"M+H, M+Na"	C12H12N2O3	-1.368903283	8699.852387	8242.590916	7841.581622	8120.841251	12309.58268	9932.097262	6783.199564	9264.967982	9571.043641	9714.104355	6113.779748	10258.68052	6907.424742	6297.30641	8279.615045	5501.057631	7482.839051	6558.100961	7888.092266
4.86_252.1586m/z	252.1586256	4.8594	pos	Dehydrooreadone	HMDB0036046	Organoheterocyclic compounds	Naphthofurans	Unclassified			40.1	6.18	M+NH4	C14H18O3	-3.392935912	5531.013674	5089.255591	5522.778111	5828.601296	4742.851626	5174.286026	5308.085764	6444.069776	7952.895857	5040.606036	5529.529709	8167.314078	4320.80358	4150.667676	5167.059628	5569.944157	5115.121459	5259.116697	4054.986092
5.39_273.1708m/z	273.170759	5.390516667	neg	10-keto tridecanoic acid	LMFA01060042	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40.1	5.22	M+FA-H	C13H24O3	0.050254547	585.2321126	684.023161	620.7252565	156.8854679	523.6944622	1681.047911	193.6300079	1375.674794	1072.429944	1263.930817	429.3442317	630.3509877	182.7282383	196.2787219	733.2785927	224.1727571	588.2050149	391.984393	208.7295229
5.45_225.0762m/z	225.0762319	5.446083333	neg	Genipin	45285	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*	C09780	40.1	9.22	M-H	C11H14O5	-2.721125756	480.1192467	434.8599514	381.931901	280.4228887	598.6473995	297.6161341	504.3886813	1397.938746	643.0374722	344.3634742	447.3274089	542.7666265	336.2858721	607.4482542	518.3132714	321.5552707	446.1076678	346.5477469	452.1449481
9.52_370.2949m/z	370.2948598	9.51775	pos	"MG(0:0/18:3(9Z,12Z,15Z)/0:0)"	HMDB0011540	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	*		40.1	7.35	M+NH4	C21H36O4	-0.923782021	1544.820242	1472.727788	1778.713627	1228.154785	2151.003933	2309.809964	1199.378665	3654.452461	4767.369404	855.6224912	1987.282492	4504.557013	1334.089812	425.6634511	438.8501154	1587.7152	1292.989127	1511.647209	1113.672768
9.96_304.2994m/z	304.2993569	9.963066667	pos	BENZALKONIUM	44355	Unclassified	Unclassified	Unclassified			40.1	6.04	M+H	C21H37N	-1.71368676	19350.65916	18477.02195	18032.65138	21926.04955	18213.83384	17478.1912	18618.59691	18883.31704	18395.88227	18774.83268	21206.11639	19627.88026	18404.46134	100749.4995	20570.23738	20026.80594	19773.91316	19627.22226	20185.94079
0.73_355.1049m/z	355.1049276	0.7299	neg	(E)-1-O-Cinnamoyl-beta-D-glucose	HMDB0030293	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Cinnamic acid esters			40	19.1	M+FA-H	C15H18O7	4.746201692	45218.07674	42809.1462	35823.53512	18528.35016	34254.2419	29566.30896	26018.33788	14901.04274	13416.62004	39826.12016	23863.783	12258.11698	54149.04851	53351.63877	70261.06118	22389.15751	68477.02251	57183.48434	86204.98363
0.76_261.1805m/z	261.1805106	0.764	pos	N-(3-hydroxy-octanoyl)-homoserine lactone	LMFA08030036	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			40	5.65	M+NH4	C12H21NO4	-1.534289275	7840.115683	8582.328001	9092.588181	1253.364988	49029.36337	76913.65366	983.774142	1765.340541	1546.309659	46169.17658	0.000297236	0.000297236	3485.791528	3326.031904	2114.461713	0.000297236	2793.423137	234.754174	786.7308917
0.80_233.1129m/z	233.1128794	0.798133333	pos	Aspartyl-Valine	HMDB0028766	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40	9.32	M+H	C9H16N2O5	-1.37289428	22113.72187	22665.23523	18554.561	15187.89713	31256.32864	18752.82156	26013.18061	11001.25325	8498.340944	31321.14779	19333.00735	9246.707248	23306.38159	31420.83946	31858.11564	33866.24632	28852.99599	15920.72069	22694.86862
1.01_230.1881n	253.1796243	1.006716667	pos	"3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol"	HMDB0036133	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		40	8.36	"M+H-H2O, M+Na"	C13H26O3	-0.606537375	26573.98922	26469.36461	23595.90308	26291.19842	22754.21137	24643.81601	23905.51622	24192.61069	25732.99936	27642.23337	26411.82831	22469.57623	23320.78432	22919.35658	23672.64596	24465.30719	23686.48332	23297.60718	23471.67581
1.06_187.0409m/z	187.0408685	1.063433333	neg	6-(hydroxymethyl)-7-methoxy-2H-chromen-2-one	HMDB0136784	Phenylpropanoids and polyketides	Coumarins and derivatives	Unclassified			40	9.94	M-H2O-H	C11H10O4	3.88627211	759821.9243	771998.3841	650290.5103	645169.8916	777609.8239	885954.5649	841704.9974	705098.0538	743830.7261	864212.4948	654275.695	852417.1855	743930.3962	656547.0233	763372.3729	776443.3032	692434.4534	824202.5392	811347.0086
1.10_204.0629m/z	204.0629342	1.0977	pos	4-Hydroxy-4-(3-pyridyl)-butanoic acid	HMDB0001119	Organoheterocyclic compounds	Pyridines and derivatives	Unclassified	**	C19579	40	5.19	M+Na	C9H11NO3	-0.992217079	45808.62438	58018.29001	40018.1266	53368.26218	47549.42626	37902.5346	47668.80151	35658.63174	44993.46299	43266.01057	43951.01454	47819.01193	60001.0233	59538.3461	75105.14434	63221.54725	53485.68927	46597.25966	53539.66413
1.24_118.0270n	119.0354392	1.239083333	pos	Methylmalonic acid	HMDB0000202	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives	**	C02170	40	6.69	"M+H-H2O, M+H"	C4H6O4	2.936091948	3708.387716	4075.366894	3547.197766	2354.556975	4815.771878	3457.425677	4877.736779	1902.880681	1913.180674	6163.144344	3455.584533	890.0228529	3662.954188	4120.023434	4942.207837	3647.424454	3738.722227	2381.161311	2783.657093
1.63_189.1233m/z	189.1232786	1.6338	pos	Leucyl-Glycine	85833	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			40	4.09	M+H	C8H16N2O3	-0.479806963	10848.26824	11964.81824	10847.05381	10655.7768	12435.98174	11347.28061	13442.6088	6694.18651	5400.080736	12156.45402	9771.734764	8942.281859	14784.21059	13729.08525	13280.16748	11297.15287	13022.43289	9422.193384	14897.181
10.85_645.3044m/z	645.3043947	10.84901667	neg	OKHdiA-PG	LMGP20060026	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			40	15.1	M-H2O-H	C31H53O13P	-0.214590666	5811.419025	4013.119077	4358.694778	5160.144256	6693.571187	8047.380803	6001.544865	1103.858661	2850.304605	5121.995828	5408.991203	2511.896795	8977.487503	10000.85021	6396.871782	4750.984549	4556.936415	5770.805897	9192.265235
11.15_297.2662n	320.2553637	11.14863333	pos	"4E,14Z-Sphingadiene"	LMSP01080002	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			40	7.98	"M+H-H2O, M+Na"	C18H35NO2	-2.041835237	29797.24321	17263.12762	30545.0871	26453.87735	37820.81713	24870.09661	39230.34274	39771.17891	27387.95111	35534.26666	27238.68981	15286.81651	18754.34517	28332.8433	22516.24095	26580.7291	23215.43159	28354.22983	35825.01007
11.85_410.2368m/z	410.236835	11.8477	neg	N-arachidonoyl taurine	LMFA08020075	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			40	9.32	M-H	C22H37NO4S	-0.5306607	34578.01051	30772.30399	34428.62952	43998.05974	60016.14182	69358.08706	39463.57682	8214.447553	4242.934447	57562.25014	32986.12653	4704.00007	46590.75326	44584.8646	41330.86247	44221.67724	43095.45804	43347.6825	46567.40095
12.67_466.1660m/z	466.166047	12.6693	neg	Pitavastatin	HMDB0041991	Organoheterocyclic compounds	Quinolines and derivatives	Phenylquinolines		C13334	40	7.18	M+FA-H	C25H24FNO4	-2.593689246	6156.718933	4953.42243	5447.837293	4371.844458	7048.917343	4068.028705	5063.165486	10648.85786	10104.88365	3697.166771	4161.503312	10374.29861	7892.805408	5739.978989	6046.517785	5930.733733	5643.847397	5825.837154	5463.658114
12.75_299.2589m/z	299.2588595	12.75356667	neg	Heptadecanal	HMDB0031039	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*		40	4.65	M+FA-H	C17H34O	-1.215641642	9776.027384	10782.91057	10298.71599	12050.61792	9696.005611	11256.95764	10694.73173	7026.781518	8531.730626	8778.976372	10739.35621	9483.483673	12274.22334	12975.46508	9693.733967	11500.87778	10909.325	10168.71203	11692.01241
2.12_242.0898n	287.088392	2.119316667	neg	Telbivudine	HMDB0015394	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides			40	3.02	"M-H, M+FA-H"	C10H14N2O5	-2.047053038	43113.98759	41571.01774	42269.86861	48112.44507	24364.8899	23568.47917	46890.99891	40882.26657	86470.22177	26711.11017	55788.03512	73723.1566	44875.36136	50340.08358	37753.57908	33365.89265	26621.98404	34631.01893	57192.85916
2.39_267.0973m/z	267.0973051	2.392566667	pos	"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-ethylbarbituric acid"	1818	Unclassified	Unclassified	Unclassified			40	4.15	M+H	C12H14N2O5	-0.912885156	28176.39018	29892.24363	29095.53544	25449.47973	33688.75245	30160.71494	27180.82607	26486.34247	22320.56303	37874.48324	21749.32502	23558.1092	26931.5268	32109.68294	34756.57115	35616.78795	37579.3066	29681.96371	26364.32182
2.46_364.1015m/z	364.1014563	2.458216667	neg	"UK-121,265"	HMDB0060893	Benzenoids	Benzene and substituted derivatives	Phenylpropanes			40	8.57	M-H	C16H14F3N5O2	-3.359710865	16816.15216	16121.56937	17074.99943	20040.56895	14659.71988	17915.40347	13693.86926	15299.62288	16643.16668	15018.11207	17400.33126	14301.88134	16225.97222	16294.71528	19036.82542	18822.03382	17272.63046	21231.0828	18339.20404
4.51_289.0266m/z	289.0265932	4.510966667	pos	gamma-Glutamylcysteine	HMDB0001049	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00669	40	11.7	M+K	C8H14N2O5S	4.369000309	2262.650214	1606.220622	2050.683792	3688.045685	1857.709635	1313.472329	1909.4386	2245.163333	2022.84619	925.3993544	1902.545987	3192.904979	1729.683559	2007.425742	1853.333194	2153.039379	2886.273694	1872.823043	1322.815897
4.78_259.1900m/z	259.1900043	4.779633333	pos	2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate	HMDB0059946	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		40	17	M+H	C14H26O4	-1.477247319	3521.811205	3078.153302	3303.190598	3289.882632	3019.449823	3485.97608	3060.336991	3261.230888	3593.468436	3327.332953	3331.133096	3364.167125	3036.505125	3126.021691	3123.289959	3095.311358	3032.446435	3290.114819	3251.552535
5.19_377.1969m/z	377.1968845	5.189216667	neg	Gibberellin A12	LMPR0104170014	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids	**	C11857	40	4.06	M+FA-H	C20H28O4	-0.233993007	2744.842249	2710.438804	2578.553212	2143.990268	2263.095639	3447.762754	2614.802249	7562.947706	2182.259824	2599.3548	3736.150166	3984.759164	2332.012883	3263.320249	3121.589357	2563.710342	3762.415252	3516.124898	1844.206116
9.90_435.2963m/z	435.29632	9.896683333	neg	"9,9-dimethoxy-nonanoic acid"	LMFA01080019	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			40	7.91	2M-H	C11H22O4	-0.050307984	9136.959552	7194.566155	7616.037729	7972.609602	8496.901201	8913.036798	8666.482241	8313.873414	8028.062092	8116.229554	7360.859668	8762.997703	8931.66628	8637.601165	9071.862068	9165.583557	8402.98322	10172.45293	8642.539041
0.64_239.1502m/z	239.1501893	0.643516667	pos	Pirimicarb	68822	Unclassified	Unclassified	Unclassified			39.9	5.18	M+H	C11H18N4O2	-0.264409559	25254.45886	26621.59801	27630.38402	37345.15519	12094.92304	15310.06803	6779.326375	21517.02977	20943.24544	8816.964959	23178.38145	80936.95068	12785.52363	12264.19806	32463.60023	36378.37605	16663.30243	56362.82044	50606.01525
0.73_325.0945m/z	325.0945179	0.7299	neg	"6-(4-ethyl-5-hydroxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0128044	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			39.9	13.3	M-H2O-H	C15H20O9	4.727473048	102972.3567	97087.88361	84989.39909	26126.30028	137037.7611	57972.61056	53788.47817	71247.39059	93466.81666	155930.6947	28638.02414	24630.78693	128939.2715	124273.5024	106256.0374	42719.59539	86843.14057	63155.77806	128576.5174
0.94_218.0663m/z	218.0662896	0.937716667	neg	Fructoseglycine	HMDB0060278	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.9	7.56	M-H2O-H	C8H15NO7	-3.041525782	5080.522796	6160.71155	6225.684203	5019.260083	6129.066112	8166.629065	5394.5304	5835.378561	7884.380417	7923.677193	4404.432487	7845.625701	5579.467087	5460.086969	6043.518444	4869.286948	5963.472189	6964.817172	6726.431703
1.00_362.0510m/z	362.0509664	1.001316667	neg	8-Oxo-dGMP	HMDB0011670	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine deoxyribonucleotides			39.9	6.06	M-H	C10H14N5O8P	0.671480456	48338.65919	50641.34553	52450.61863	34228.34613	61832.25016	57473.1435	70417.86646	53153.36631	58939.30753	61562.09369	48346.44059	55977.72294	58108.73129	49422.18348	49359.20531	53624.91166	51161.17896	35811.46775	45260.31715
1.10_215.0489m/z	215.0488557	1.098716667	neg	Cysteinyl-Hydroxyproline	HMDB0028776	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.9	10.1	M-H2O-H	C8H14N2O4S	-3.123685787	10785.80023	11249.96307	10821.29676	12836.18611	8760.6524	12235.04984	8056.843576	8427.942156	8650.348942	9179.169189	10776.67783	11823.47947	9484.182679	8495.831413	9447.002591	9928.908556	11486.10133	13327.50514	11151.54572
1.24_176.9717m/z	176.9717385	1.239083333	pos	Fosfomycin	HMDB0014966	Organic acids and derivatives	Organic phosphonic acids and derivatives	Organic phosphonic acids	**	C06454	39.9	6.68	M+K	C3H7O4P	2.790363528	10652.22713	12455.47773	11162.21749	10742.82141	10392.11173	10835.05336	10013.24341	10919.28134	11341.62905	11290.53933	11161.15581	11647.77996	11162.77639	12234.35119	12213.39236	11630.6636	10602.8193	12815.19464	9738.412344
1.59_376.1712m/z	376.1712084	1.592583333	pos	AM2201 N-(4-hydroxypentyl) metabolite	96633	Unclassified	Unclassified	Unclassified			39.9	14.3	M+H	C24H22FNO2	1.265576232	10789.30129	11965.74328	10272.05412	9509.022106	14318.26785	11815.24872	12049.44488	10529.41618	9381.825979	13151.90791	11388.30283	7511.270939	10106.92252	11794.25372	11754.02644	9800.681952	10464.21307	10098.40735	13314.14864
10.03_442.3521m/z	442.3520568	10.02715	pos	Hydroxybutyrylcarnitine	HMDB0013127	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.9	6.53	M+H	C25H47NO5	-1.457479963	21405.17891	23548.22909	22602.80839	12025.91299	20530.11229	36223.77119	10937.264	51894.85237	45555.57379	24835.30538	11297.12568	36725.20784	32103.85632	26181.3966	15116.08037	14849.62853	19969.52256	15406.2466	18324.16583
10.04_459.2235m/z	459.2234753	10.04158333	neg	"(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside"	HMDB0030895	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		39.9	6.77	M+FA-H	C21H34O8	-0.230840199	7570.802358	6522.95569	7245.636482	6437.017669	6897.992153	7856.254618	8529.33582	7860.035301	7374.080637	7672.156613	7008.231782	7626.913673	7081.912214	7575.896339	7588.800963	7902.349435	7671.685238	7611.380228	7069.658275
10.51_619.2887m/z	619.288744	10.50996667	neg	PKHdiA-PG	LMGP20060012	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			39.9	1.16	M-H2O-H	C29H51O13P	-0.224349071	773042.8263	702338.2146	753208.308	877222.5786	947255.3075	1065586.042	918373.4702	327893.8385	423342.9381	721547.3552	835713.461	481320.3419	1218658.219	1166650.989	921491.013	872717.7255	902260.9532	838702.3378	1205571.926
10.57_385.1996m/z	385.1996475	10.57313333	neg	Perindoprilat	HMDB0060574	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.9	7.43	M+FA-H	C17H28N2O5	4.769480259	3851.011377	3625.746283	3929.251426	2387.515945	3462.825534	7251.998104	3259.768131	3872.511739	2170.815139	4751.795329	4116.349635	3587.802466	3728.493349	2001.273884	4539.316114	3817.055503	4102.460315	5367.068466	8666.976116
11.00_284.2230m/z	284.2229617	10.99718333	neg	Myristoylglycine	HMDB0013250	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.9	5.08	M-H	C16H31NO3	-0.546137012	3538.125627	3876.72661	3422.794473	4162.879146	3850.682589	3706.810614	2821.687604	3503.288974	3746.297792	2650.098617	3249.981251	5766.51545	3725.983608	3822.886921	3583.222113	3653.56198	5287.812064	4184.057946	4113.905044
11.89_312.2543m/z	312.2542776	11.89018333	neg	N-Palmitoyl Glycine	45157	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.9	4.47	M-H	C18H35NO3	-0.446717527	7305.447412	6362.74834	7065.460535	7509.994897	7732.647338	8766.763679	5334.719583	5091.389971	5410.373709	6397.724251	6712.47588	7847.770793	8538.244626	7621.370409	7416.911268	8386.661834	8160.590892	9175.103987	7698.812024
11.89_353.3282n	336.3248955	11.89153333	pos	"Anandamide (20:l, n-9)"	LMFA08040010	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			39.9	8.17	"M+H-H2O, M+Na"	C22H43NO2	-3.384548543	124831.5692	71659.71507	115884.426	90135.38111	92543.46558	87717.40988	98648.97881	100876.3905	109461.3174	93582.13369	90267.87499	67288.28956	66875.85831	66285.07432	69486.6506	77396.50581	87430.84247	97838.20275	86523.72404
11.91_228.2317m/z	228.2316986	11.91183333	pos	"8Z,10E-Tetradecadien-1-ol"	LMFA05000186	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			39.9	8.33	M+NH4	C14H26O	-2.342302743	4011.020463	3649.575296	4124.115181	4046.522575	4047.065361	4356.602537	3751.600354	3528.719805	4230.188954	4368.646197	4100.392658	3960.717603	3910.06888	4126.977266	3881.755703	4078.548701	4156.67542	3737.924045	3718.843472
14.36_115.0866m/z	115.0865994	14.3641	pos	N-Nitrosopiperidine	73002	Unclassified	Unclassified	Unclassified			39.9	0	M+H	C5H10N2O	0.087922587	1290.907719	804.1309067	1269.457682	1281.178248	1276.919148	1275.584565	1339.091425	1428.266969	1343.384361	1253.912525	1286.138017	980.3718024	1060.883818	1122.047605	1327.548994	1356.802782	1219.807064	1428.97516	1242.787067
4.53_374.1919m/z	374.1919211	4.532133333	pos	MAM-2201	85211	Unclassified	Unclassified	Unclassified			39.9	12.5	M+H	C25H24FNO	1.211229773	794.3815596	1073.502486	616.697448	105.7530868	137.9837896	413.7873292	162.4097435	6842.243913	3531.777662	684.4636322	211.6479215	772.3814657	151.3174664	216.1166461	0.000297236	240.1454272	0.000297236	0.000297236	231.1588859
5.28_218.2110m/z	218.2110325	5.281066667	pos	Isolauric acid	LMFA01020004	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.9	4.91	M+NH4	C12H24O2	-2.113110385	9177.351849	9750.674014	8913.431435	9581.327238	15090.86965	7528.173557	5661.946543	5619.638369	9176.264305	7706.753093	8206.761457	9730.934476	8523.838677	7114.601	8288.737654	9184.326904	7739.473962	22228.95203	9872.663516
6.93_222.1129m/z	222.1128882	6.9307	neg	Phenmetrazine	HMDB0014968	Organoheterocyclic compounds	Oxazinanes	Morpholines		C07432	39.9	5.98	M+FA-H	C11H15NO	-3.832315637	4562.258855	4516.545027	4443.039003	5058.396708	6148.352228	3722.840871	6293.447699	1444.66526	2947.623828	5687.762201	4872.143951	2976.407718	4951.018707	5072.162841	4258.926567	4005.935789	6275.765803	6267.555973	4803.051543
7.52_408.2875n	453.2858037	7.524733333	neg	"3a,4b,7a-Trihydroxy-5b-cholanoic acid"	HMDB0000320	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		39.9	3.15	"M-H, M+FA-H"	C24H40O5	-0.161225072	8634.067119	9456.370729	9307.708377	8566.648678	3908.351021	8487.120954	3282.433257	0.000297236	240.5633783	28461.18784	4806.960165	0.000297236	3848.770184	8510.342809	13648.17427	4986.22871	11933.1699	25061.64848	3561.586156
7.71_391.2491m/z	391.2491218	7.705566667	neg	Siderol	HMDB0034944	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		39.9	11.2	M+FA-H	C22H34O3	0.357977812	1410.754095	1388.798596	1398.289082	507.830732	339.7925519	0.000297236	399.7054155	952.3763421	13109.63093	289.785127	773.7909074	5574.737786	408.3798927	906.5989119	666.0992252	475.7974897	1102.438062	697.181925	412.0375206
9.03_251.0464m/z	251.0463693	9.027933333	pos	"2E,4E,6E,12Z-Tetradecatetraene-8,10-diynoic acid"	LMFA01031087	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.9	6.74	M+K	C14H12O2	-2.44451938	3466.495725	2863.557451	3217.078122	3691.139379	3706.546752	3647.751007	3656.377556	3518.493828	3376.534144	3788.789644	3225.021357	3215.299237	3285.810539	3283.663363	3645.76429	4389.680463	3465.065267	3502.098159	3220.053932
9.56_258.2788m/z	258.2787675	9.55945	pos	7-Hexadecen-1-ol	LMFA05000211	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			39.9	4.99	M+NH4	C16H32O	-1.555414739	3982.629673	4878.443011	4574.185043	4236.940256	5916.06752	3646.013732	4115.513393	3978.110134	3873.372936	3632.06819	4150.608276	4480.033938	4661.454143	4002.220655	4221.922422	4111.911748	3504.553869	6111.084697	3819.280086
0.27_299.2940m/z	299.2939743	0.27345	pos	Isopropyl hexadecanoate	90758	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.8	9.7	M+H	C19H38O2	-1.618004977	47232.75704	40885.60329	44714.66112	46136.29517	45029.62863	48036.72549	47739.36396	50468.16439	46470.08586	51125.64347	50432.54342	38930.33111	41582.14689	42500.05725	44646.9481	45481.65231	43134.08664	47683.60663	44155.22861
0.73_373.1270m/z	373.1269589	0.729216667	pos	"1,5-Dibutyl methyl hydroxycitrate"	HMDB0040461	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives			39.8	11.2	M+K	C15H26O8	3.091336728	32363.05223	39192.26312	37465.28931	41866.99835	34360.56584	52151.29611	24389.789	42967.34819	35294.07815	39387.22671	26512.32929	19084.27143	26739.05837	32347.28396	29336.86278	37852.51796	40156.09402	34574.12018	39805.47758
1.03_271.2628m/z	271.2627925	1.026666667	pos	Isopropyl tetradecanoate	94904	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.8	9.61	M+H	C17H34O2	-1.347689996	74071.17623	55643.1169	69947.31288	64842.05887	64134.83956	67011.24115	73375.15909	73428.91149	73118.18111	70132.36861	73533.37966	52922.37883	59428.94347	65059.118	71142.84781	64543.96826	60094.74243	68839.41187	58893.80362
1.10_260.0232m/z	260.0232473	1.098716667	neg	2-Methoxyacetaminophen sulfate	HMDB0062550	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			39.8	6.74	M-H	C9H11NO6S	-0.70619562	18906.33031	20330.20888	20556.49182	18692.02734	17566.36416	19417.22443	16954.47312	26991.18521	43363.8229	18532.65655	15010.52522	26798.78494	18554.5668	15874.61833	16431.54226	15343.46366	17052.73197	16132.92222	19750.54208
1.14_190.0477n	213.0368198	1.13905	pos	2-Hydroxy-2-(2-oxopropyl)butanedioic acid	HMDB0059927	Organic acids and derivatives	Keto acids and derivatives	Medium-chain keto acids and derivatives			39.8	5.98	"M+H, M+Na"	C7H10O6	-0.43222469	2826.177588	2857.645928	2374.01733	2564.96227	2472.11492	1764.958403	2787.648399	2288.369666	3815.298812	1939.412255	2665.997273	4422.406864	2876.712893	2946.601721	2336.323619	2851.091234	2739.832293	2283.083167	3092.250702
10.20_364.3205m/z	364.3205325	10.19575	pos	N-stearoyl proline	LMFA08020119	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			39.8	10.6	M+H-H2O	C23H43NO3	-1.241789488	1935.007701	2280.322081	2388.595302	1296.983777	3119.052973	4705.113111	1762.408342	641.3845346	789.9616888	2130.733562	2092.309299	1321.606743	3012.996688	1694.727632	1016.814944	2460.127421	1634.906274	2525.219823	2302.731276
10.23_241.1804m/z	241.180423	10.23283333	neg	3-oxo-tetradecanoic acid	LMFA01060099	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39.8	3.23	M-H	C14H26O3	-2.044852728	2464.467711	2390.395626	2550.797195	2258.170199	3007.056032	2562.267181	1922.843754	2297.266699	2136.056243	1970.868762	2264.717897	1872.976517	2677.011	2105.682686	2212.421142	2361.698447	1906.465942	2081.322992	2627.267347
10.42_241.1804m/z	241.1804481	10.42301667	neg	(Z)-4-Dodecenal	LMFA06000256	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*		39.8	7.55	M+FA-H	C13H24O	-2.396599278	2003.398198	2149.030171	1987.886057	1075.354462	4063.881428	2202.732045	1340.016042	2593.824271	2568.338197	1132.068887	1621.908264	1424.890891	3020.434741	2139.696126	2280.882333	2068.831872	1969.454765	1688.177227	2875.791369
10.55_586.3339m/z	586.3339113	10.5469	pos	POB-PG	LMGP20060017	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			39.8	7.72	M+NH4	C26H49O11P	-2.04689008	17140.4404	18799.47365	17934.81353	22116.7138	16435.40368	20359.65784	13030.85957	9756.357442	14535.62791	15501.91193	15758.93168	15981.21516	25468.31482	20592.61066	19400.96751	20597.04489	18179.90162	20085.48101	23738.86351
10.94_481.3526n	482.3598291	10.94183333	pos	PC(O-16:0/0:0)[S]	40385	Unclassified	Unclassified	Unclassified			39.8	1.84	"M+H, M+Na"	C24H52NO6P	-1.396860716	1746687.135	1750134.385	1680903.754	1990216.35	1864821.246	1807913.867	1956075.695	1347527.409	1621415.757	1587058.242	1886551.043	1497776.667	1971874.596	2087574.459	1785997.94	1670110.884	1788711.982	1808081.938	2034048.005
10.96_524.2977m/z	524.2977482	10.9628	pos	PS(18:1(9Z)/0:0)[U]	40832	Unclassified	Unclassified	Unclassified			39.8	6.39	M+H	C24H46NO9P	-1.045154511	75337.20407	67782.86908	72184.44776	93509.21937	71643.89047	84991.53773	86045.56127	46698.33112	51287.04684	62786.48084	78147.71529	78650.40301	92275.60766	93648.07158	88371.90985	96128.71242	86241.61151	93775.9074	100799.4151
11.27_323.1710m/z	323.1710394	11.27428333	neg	beta-Cymaropyranose	66853	Unclassified	Unclassified	Unclassified			39.8	0	2M-H	C7H14O4	-0.314627422	1458.144929	1714.890774	1654.892201	1085.316513	988.3632607	966.0549206	1268.834341	1758.323856	2419.836103	2124.601456	1674.53356	961.9082622	1285.678196	1810.056688	1995.69827	1735.427603	1186.938482	1132.980273	935.3964263
11.85_318.2762n	341.2654488	11.85016667	pos	1-O-(2R-hydroxy-pentadecyl)-sn-glycerol	LMGL01020062	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols			39.8	5.07	"M+Na, M+K, M+NH4, M+H"	C18H38O4	-2.455542315	2161706.344	1924441.036	2182039.755	2211919.312	2106275.448	2164622.598	2155347.068	2157112.886	2119198.577	2182473.854	2198160.369	1976062.265	2046642.256	2065797.545	2166183.923	2193386.769	2121581.102	2200235.327	2118972.002
12.69_330.2557n	329.2483737	12.69031667	neg	"4,8,12,15,19-docosapentaenoic acid"	LMFA01030183	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39.8	5.93	"M-H, M+FA-H"	C22H34O2	-0.697148538	6854.520748	6180.229878	6911.058999	7009.747306	8047.011133	5410.510668	5925.505084	12228.89846	15724.2145	5106.115681	6165.043158	10449.74255	10294.61586	8706.161227	7827.430355	5104.587256	7645.588262	7293.907092	7379.945544
13.91_336.3254m/z	336.3253574	13.913	pos	Pipericine	HMDB0031678	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	*		39.8	6.25	M+H	C22H41NO	-2.188802061	69458.41227	48908.39274	70772.23217	64686.76824	66755.45063	54450.05937	58941.36312	67345.18602	57124.30653	56148.40226	58976.7476	49528.65132	60077.0852	58619.7806	49045.0648	50932.17976	62851.38684	60128.03183	57519.32943
2.70_334.1857m/z	334.1856588	2.704716667	pos	10-Hydroxy-8-nor-2-fenchanone glucoside	HMDB0033643	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		39.8	5.71	M+NH4	C15H24O7	-1.169743465	17526.37416	18024.78865	16761.10187	9199.118423	15793.3658	25139.80299	7742.326958	72708.24639	44495.15344	14173.66152	7616.204255	10731.5959	10190.53847	9787.063694	9111.998493	8508.182918	8063.911289	8916.414517	11004.87753
3.91_238.1047m/z	238.1047381	3.91085	pos	"2-amino-8-oxo-9,10-epoxy-decanoic acid"	LMFA01060176	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates		C12027	39.8	3.47	M+Na	C10H17NO4	-1.11861221	3027.704121	3395.893052	3026.051933	2247.707388	4701.40387	2643.299919	2550.86264	6092.10973	3989.946324	1719.439912	1974.555795	3845.750797	2326.91251	2842.269859	2661.024394	1830.286148	2822.678464	1740.489539	3051.388922
4.58_229.1440m/z	229.1439512	4.583666667	neg	Dodecanedioic acid	HMDB0000623	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C02678	39.8	7.63	M-H	C12H22O4	-2.526724814	542.4546808	523.7334115	554.6608744	474.434681	526.3718445	2107.121094	322.5947361	332.6520358	336.8484941	1147.363587	427.3455837	352.0979549	307.4544455	265.7933582	608.8383659	366.3211644	618.0458216	478.223117	417.9383731
5.38_162.1253n	185.114446	5.379533333	pos	"(3R,7R)-1,3,7-Octanetriol"	HMDB0033625	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		39.8	4.22	"M+H, M+Na, M+NH4"	C8H18O3	-2.0559064	132884.6993	141448.0129	134077.003	139351.2922	130592.5386	133205.4971	136178.3715	131652.8963	131961.1683	130798.1376	140440.1415	151238.5649	144332.4044	140545.3642	147089.6426	146126.4073	136475.3985	140492.0012	134608.1277
5.79_472.2373m/z	472.2373079	5.79205	neg	12-HETE-T	LMFA08020150	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			39.8	7.16	M+FA-H	C22H37NO5S	-0.325864257	8938.710968	8862.059606	8405.536177	16783.87554	5417.307564	16041.68733	8196.828935	3948.438911	1445.325068	8423.991711	10824.10554	3982.737012	8897.23811	8472.104461	10642.36254	10924.20441	15629.70253	14622.18828	14005.3158
7.47_360.2740m/z	360.2739669	7.472466667	pos	2-Hydroxylauroylcarnitine	LMFA07070032	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.8	8	M+H	C19H37NO5	-1.343807076	3156.145637	3990.034211	3509.175761	1777.768395	4034.877516	3384.482652	1671.764061	7192.199261	8084.515926	2952.199314	1904.368428	7152.638295	3337.047539	3814.433698	3495.57629	1648.432476	2265.715136	1923.622493	2126.010787
8.02_207.1018m/z	207.1018181	8.016883333	neg	(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid	HMDB0030197	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			39.8	8.58	M-H	C12H16O3	-4.083673158	2732.833055	2631.101268	2848.098612	2348.718927	2527.906009	2289.432939	2698.029329	2352.513241	2604.455056	2368.253815	2500.414166	2259.843481	2376.540325	2247.181232	2637.295307	2381.467549	2404.251553	2739.370484	2849.390249
9.40_515.3046m/z	515.3045749	9.39505	neg	Probucol	HMDB0015537	Benzenoids	Benzene and substituted derivatives	Phenylpropanes		C07373	39.8	23.6	M-H	C31H48O2S2	4.413235018	6432.265384	4683.347808	4705.068584	3434.109304	5858.370958	8875.339899	3457.036916	2060.156568	7915.908231	4641.290898	4449.342619	3626.775051	3175.214798	3345.135056	20985.02715	1737.499175	3978.136378	8290.900556	3168.250174
9.64_414.3209m/z	414.3209037	9.6446	pos	3-hydroxypalmitoleoylcarnitine	LMFA07070044	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			39.8	7.24	M+H	C23H43NO5	-1.20062857	3038.85979	2607.200068	3011.777268	2689.930407	2049.719891	3359.155009	3736.656981	3445.945267	6301.378002	2373.031616	3925.126747	7420.276872	2133.630868	1191.853535	960.7670767	2241.374366	2746.056999	2565.254988	2761.506636
9.79_591.3541m/z	591.3541297	9.79065	neg	Agavoside A	HMDB0034391	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	*		39.8	4.88	M-H	C33H52O9	0.460729804	7797.851361	7282.588381	7373.945406	11408.14807	3678.47712	13431.00478	7219.040865	8497.535682	2705.498434	9404.219194	10300.43293	2380.599348	5448.226682	9855.491309	7849.90401	11237.44028	13902.21674	15520.12745	3006.216747
0.18_120.0558m/z	120.055792	0.176983333	pos	Isoniazid	HMDB0015086	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	**	C07054	39.7	7.44	M+H-H2O	C6H7N3O	1.228968773	34149.23089	30086.48817	32720.98601	34604.81192	30340.32419	31290.25322	34937.21816	33186.14456	35484.57191	34234.22272	35713.76864	28935.76601	30505.13993	28442.83582	32461.40151	32362.02263	29599.44605	33761.94442	32241.19941
0.68_147.0663m/z	147.0662863	0.677333333	neg	Propionic acid	HMDB0000237	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acids	**	C00163	39.7	0	2M-H	C3H6O2	0.026053424	1013.837863	1408.318919	1273.260624	1893.608228	1349.373804	1490.85674	1084.732516	708.1707181	1115.461982	968.0194821	1762.640632	1557.448105	1126.331516	1189.102085	1313.472964	865.4587936	1579.459093	1331.239245	1314.679523
0.89_204.0630m/z	204.0630047	0.89155	pos	3-Amino-3-(4-hydroxyphenyl)propanoate	6984	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C04368	39.7	0	M+Na	C9H11NO3	-0.603258978	13063.40837	16074.07765	15389.24972	14067.69939	17313.68062	15211.0752	14027.52898	10662.14725	10724.54176	17508.99823	13961.67614	11489.23427	19998.02702	16100.66325	17799.97566	10139.88893	14251.04125	13363.95215	20782.62473
0.90_331.0910m/z	331.0910284	0.898616667	neg	3-Methylxanthine	2820	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	**	C16357	39.7	0	2M-H	C6H6N4O2	0.463481343	4062.289754	4044.775471	3375.047015	4071.187151	4597.052255	4933.870581	3228.101241	2471.413923	3174.438993	4461.189175	3590.558683	4728.558259	4267.038112	3586.025826	3543.595251	3452.907763	3496.006447	3748.654664	5090.303134
1.40_140.0682m/z	140.0681939	1.396783333	pos	Betaine	HMDB0000043	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00719	39.7	0	M+Na	C5H11NO2	-0.046284273	9902.597553	9614.984608	9475.566589	7340.486722	12401.14577	13915.79619	9002.915685	12258.25777	12789.21285	11978.03364	7283.915987	8400.414752	8885.138763	8068.743805	11360.47319	8479.745609	10613.75263	7895.29233	7325.214212
1.40_213.1238m/z	213.1237659	1.3988	neg	Isoleucyl-Threonine	HMDB0028917	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.7	9.33	M-H2O-H	C10H20N2O4	-3.015854472	628.5421683	653.9160802	589.1669356	304.8662141	1196.595802	554.4039448	666.9254365	108.0244906	317.4943201	1096.657687	557.062861	213.0397691	903.3252933	1077.050844	963.1705412	631.7819239	704.8255006	332.5234108	738.5240804
1.40_285.2786m/z	285.2786105	1.396783333	pos	"6,14-dimethyl-hexadecanoic acid"	LMFA01020046	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.7	4.57	M+H	C18H36O2	-0.690457443	18660.60886	15885.40537	17787.71905	18336.96606	18085.77879	18663.94256	17673.59115	18730.06027	19206.39593	18572.2677	18785.5481	17678.52486	17276.95181	17207.84926	17722.9474	19168.36234	16973.20758	18338.28869	15567.30477
1.49_169.0859m/z	169.085905	1.494983333	pos	"2,6-Dimethoxy-4-methylphenol"	HMDB0029680	Benzenoids	Phenols	Methoxyphenols	*		39.7	0	M+H	C9H12O3	-0.092973513	2468.409655	2538.314797	2344.291308	2459.936643	2345.503345	2223.923826	2332.709107	2577.866669	2414.15476	2691.453827	2735.700541	2673.153226	2338.457686	2431.769851	2797.685787	2700.952648	2356.886608	2644.855835	2251.858577
1.88_115.0391m/z	115.0390762	1.883166667	pos	3-hydroxy-3-methyl-2-oxo-butanoic acid	LMFA01020277	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates	**	C04181	39.7	5.43	M+H-H2O	C5H8O4	0.800758015	4515.063845	4351.468478	3890.920549	4660.430813	3506.824107	3807.446159	2631.347479	4452.797071	4886.127129	3751.796578	3783.648555	5929.346471	3322.572932	3389.615609	4695.81934	4578.847881	4110.535637	5213.267345	4801.725345
1.92_285.2785m/z	285.2784659	1.924716667	pos	"2,6-dimethyl-hexadecanoic acid"	LMFA01020042	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.7	4.66	M+H	C18H36O2	-1.199141314	28452.6498	25972.63773	28755.88485	29954.29854	26832.21319	29701.86369	29532.0848	27202.64977	30258.62514	27339.85185	30103.36335	27628.53936	27644.0637	29745.4778	30572.58028	29553.04337	27126.12093	28826.11688	26231.43631
10.30_275.1651m/z	275.1651092	10.29658333	neg	[6]-Shogaol	68362	Unclassified	Unclassified	Unclassified			39.7	4.15	M-H	C17H24O3	-0.575534713	14460.92345	14968.36228	14360.74358	15506.763	15742.37049	15506.23692	14471.27112	15136.23922	15508.68442	15827.71312	15658.55411	14935.21018	14512.02284	14621.04289	15049.18898	15507.01317	16720.81042	15136.68979	14603.80332
10.34_480.3443m/z	480.3443105	10.33983333	pos	LysoPC(P-16:0)	HMDB0010407	Unclassified	Unclassified	Unclassified			39.7	6.11	M+H	C24H50NO6P	-1.128325596	12931.37044	15324.01842	14666.41717	16042.47793	22663.11145	25674.23421	14329.60332	19429.38385	22353.15889	17293.33887	11917.3841	16382.568	15298.80299	17441.11084	15109.0181	14139.27268	15995.71541	12452.65088	15995.96351
10.76_612.3496m/z	612.3496061	10.75505	pos	OOB-PG	LMGP20060019	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			39.7	5.83	M+NH4	C28H51O11P	-1.88195862	12760.91812	15272.82191	13546.08203	15313.26256	16394.87004	17322.44724	10162.96464	13399.32464	15526.95602	13525.14145	10378.33647	14616.69469	16539.36645	14494.77892	16795.26634	16649.99732	16308.83489	18224.59594	16170.15202
11.15_269.2120m/z	269.2120475	11.14685	neg	"5,10-Pentadecadien-1-ol"	LMFA05000631	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		39.7	3.51	M+FA-H	C15H28O	-0.762245056	7232.40394	7318.920143	6876.019645	5805.434663	12364.79822	8325.797333	5056.058446	6414.474244	6362.960076	6474.607789	6330.641517	5641.703358	11718.63695	8051.25278	5919.454146	7735.798396	6575.559247	6958.954837	7464.947476
11.23_385.2730m/z	385.2730297	11.23123333	pos	Persicachrome	HMDB0036425	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		39.7	6.12	M+H	C25H36O3	-1.800075879	42285.235	29296.51991	35181.79593	44227.00219	50406.79677	54197.65031	38927.91121	33312.73755	23164.9135	37913.43064	44326.76879	26011.45466	22779.35364	19092.18884	39013.82398	44722.19449	42083.70374	49976.46882	42022.70134
12.59_293.1791m/z	293.1791292	12.58548333	neg	Sodium Tetradecyl Sulfate	HMDB0014607	Organic acids and derivatives	Organic sulfuric acids and derivatives	Sulfuric acid esters			39.7	6.72	M-H	C14H30O4S	-0.254342666	118673.2118	116740.7714	118307.0829	84417.67268	88469.0852	78595.30038	101574.3527	83108.51928	98338.23396	85059.7347	96826.58763	85886.17044	80604.41615	92851.18859	83443.27255	81825.15834	102531.5604	96882.03675	89166.69427
12.69_412.2496m/z	412.2496497	12.69031667	neg	Norbuprenorphine	HMDB0060546	Benzenoids	Phenanthrenes and derivatives	Unclassified			39.7	7.93	M-H	C25H35NO4	0.768363271	7707.125878	7911.847661	6771.896042	7473.175588	8522.402041	8865.665586	7987.104534	7204.404867	7911.196784	8200.886935	7845.460926	5915.45623	8285.510867	8092.679433	8234.917743	8048.55258	7850.466127	7745.423371	7688.875243
13.03_355.2640m/z	355.2640467	13.02556667	neg	20-Dihydrodydrogesterone	HMDB0060729	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified	*		39.7	5.72	M+FA-H	C23H34	-0.668081889	2279.597933	2553.508658	2294.281249	2875.51735	2076.374905	2425.153822	3846.777258	4682.048895	5159.514665	1599.882196	3345.075037	5838.040499	4865.099718	4160.090943	3256.157645	2365.846883	2802.842044	2429.233346	4105.959317
13.63_407.1891m/z	407.1891052	13.62781667	neg	Paliperidone	HMDB0015396	Organoheterocyclic compounds	Pyridopyrimidines	Unclassified			39.7	2.85	M-H2O-H	C23H27FN4O3	0.533406449	6771.122522	11030.29256	10416.62335	8300.573809	6084.78287	4222.51612	10277.06643	16261.02413	19770.91472	3318.026024	12387.30679	18543.21124	12259.52541	8251.962292	10581.7697	8457.818219	10114.46891	10025.52244	7358.281013
2.05_397.0987m/z	397.0986949	2.054766667	neg	"6-({2-[(acetyloxy)methyl]-4,5,6-trihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0125228	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			39.7	4.48	M-H	C14H22O13	-0.174450192	1533.595456	1821.987526	1672.368088	0.000297236	3166.827476	0.000297236	278.2286553	10582.85155	4020.487797	0.000297236	310.1290296	850.1589489	568.7683201	1926.251871	869.8762649	427.1169574	1828.960758	884.6452236	1157.48262
2.27_248.0231m/z	248.0231402	2.267433333	neg	Cystathionine ketimine	HMDB0002015	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.7	8.21	M+FA-H	C7H9NO4S	-1.435711787	3365.713255	3489.830375	3483.650371	4761.262267	1762.100263	4121.419462	1915.539765	4298.88197	3455.912786	2154.24881	2747.903805	6867.327962	2881.398899	2350.760123	3877.318308	2823.641671	3850.878853	3863.790498	4802.208195
2.37_206.0480m/z	206.0480172	2.372466667	pos	Benzyl sulfate	HMDB0034782	Benzenoids	Benzene and substituted derivatives	Unclassified			39.7	6.22	M+NH4	C7H8O4S	-0.734552259	14687.3046	15743.87447	15261.72193	21977.44818	6535.950934	12634.65182	7332.104166	22165.5105	18999.9926	6068.830569	11822.36893	32243.31699	10579.29694	8862.528052	13151.71098	11366.84173	15263.34727	20782.73247	18736.79055
2.41_223.0634m/z	223.0634432	2.412083333	pos	2-(3'-Methylthio)propylmalic acid	64493	Unclassified	Unclassified	Unclassified			39.7	0	M+H	C8H14O5S	-0.125237713	96054.39435	99340.40362	94441.58569	92532.22418	87155.54207	95273.30655	100742.0289	94026.95818	95470.88121	95862.63822	93859.96124	113077.5461	97412.08966	95394.50145	100450.0003	101134.5993	94042.5843	95382.437	86444.59897
2.78_223.1072m/z	223.1071541	2.78305	pos	Phenylalanyl-Glycine	85897	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.7	9.65	M+H	C11H14N2O3	-2.542226987	11018.25302	12593.42513	11581.45387	7956.680793	18044.66262	14585.21702	17983.64407	7993.579436	6498.386436	13815.03061	12439.79782	5900.949388	16300.24764	15140.80943	14935.17288	9487.565984	13107.22762	8025.889892	14623.3354
3.28_204.1229m/z	204.1229152	3.276583333	pos	L-Glutamic acid n-butyl ester	3544	Unclassified	Unclassified	Unclassified			39.7	14.1	M+H	C9H17NO4	-0.587380126	10009.40544	10731.79298	10348.70668	9678.8108	13904.3829	16894.26786	11244.78771	6749.31113	6817.081656	17084.12888	9658.420205	7060.817125	11158.12406	10224.55989	8452.60508	7537.268501	7506.361481	8335.126999	7872.732778
3.78_178.1339m/z	178.133901	3.784616667	pos	Anatabine	HMDB0004476	Organic nitrogen compounds	Organonitrogen compounds	Amines		C10126	39.7	5.03	M+NH4	C10H12N2	0.169221874	2226.861985	2182.296011	2133.906267	4627.499196	786.9422422	1617.063338	1461.476834	1302.867275	1794.876748	4657.082224	6834.663827	202.7363372	1479.206003	3109.071993	2996.864108	763.8955221	883.8987982	448.4679847	4029.936805
3.78_211.0576m/z	211.0575897	3.784616667	pos	"Tetrahydro-2,5-furan-diacetic acid"	HMDB0059767	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives			39.7	2.35	M+Na	C8H12O5	-0.555383266	626.3150942	631.3498025	615.9239761	263.2272889	585.4899759	281.6086356	322.9906378	4480.488528	1770.95058	260.3020826	239.610588	829.5466275	349.2070374	397.4048924	365.9693668	223.7335235	393.3405879	380.3579043	318.5021227
4.53_191.0581n	192.0653456	4.532133333	pos	"5-Phenyl-1,3-oxazinane-2,4-dione"	HMDB0060400	Benzenoids	Benzene and substituted derivatives	Unclassified	**	C16596	39.7	2.62	"M+H, M+Na"	C10H9NO3	-0.910616348	1533.958497	1817.515555	1603.514025	593.5942046	1797.967776	12007.83295	139.3506155	116.2854804	143.1603014	5982.818101	227.096626	144.1802614	198.9784511	130.3208704	698.3507616	401.9840707	2357.650159	1433.147424	87.3518168
4.54_258.0381m/z	258.0381112	4.5414	neg	Glucosamine-1P	HMDB0001109	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			39.7	3.53	M-H	C6H14NO8P	-1.217765547	487.9832801	588.2936425	450.7821255	145.019275	669.0709008	3605.699916	29.20980054	31.19645336	48.60332347	1862.265432	120.8828954	0.000297236	59.84975013	0.000297236	132.3191105	159.9350041	688.9170254	397.8613275	4.373322326
5.10_414.1581m/z	414.1581491	5.10295	pos	13E-Tetranor-16-carboxy-LTE4	LMFA03020051	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.7	12.1	M+H	C19H27NO7S	0.119599888	9275.492286	9824.890634	9035.585274	10008.22679	10763.94146	8924.467634	9600.536008	13700.49999	11439.84603	5187.360118	10477.86321	7772.88208	8526.471384	11306.09293	8586.823624	10413.39772	9315.032055	9095.958228	8470.389448
5.38_242.0573m/z	242.0573098	5.379533333	pos	"5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one"	HMDB0039656	Organoheterocyclic compounds	Pyridines and derivatives	Hydropyridines			39.7	6.22	M+K	C12H13NO2	-2.348279751	3116.926944	3319.149291	3074.716605	3870.051662	3447.645504	2959.339349	2700.438497	2912.267299	2813.276206	3160.062286	2971.085276	2759.486893	3322.104142	3272.439511	3582.833051	3728.353129	3524.573453	3041.803247	3422.466921
7.30_391.2127m/z	391.2126973	7.303466667	neg	11-deoxycortisol	LMST02030086	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	**	C05488	39.7	1.93	M+FA-H	C21H30O4	0.245505255	12143.11978	10608.89483	10726.17548	15261.59725	10336.7078	18205.32614	13247.18287	3140.0695	5440.894019	12480.77581	13590.49014	3615.957334	11988.42593	20851.38899	10690.91852	13342.9258	16179.24436	13563.60703	4778.395391
7.95_287.2211m/z	287.2211289	7.94965	pos	Ustilic acid B	LMFA01050539	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.7	6.51	M+H-H2O	C16H32O5	-1.830783094	14525.48453	14462.36779	14538.634	14409.55727	13712.33982	16201.80667	14341.09078	14367.079	14145.85259	14636.35279	16473.27629	15827.41783	13863.54079	14504.09351	14054.15248	14497.33488	15811.34837	14120.26302	14305.81984
8.64_270.2074m/z	270.2074494	8.63775	neg	Tridecanoylglycine	HMDB0013317	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.7	4.11	M-H	C15H29NO3	-0.066129529	1726.252657	1617.795316	2152.143363	1808.741389	1960.11365	1858.64992	2327.777543	1802.097999	2121.161864	1867.57012	1991.105464	1984.766906	1699.466745	1560.935898	1703.917151	1968.81648	1937.882621	1994.406809	2190.842881
8.75_230.1747m/z	230.1747296	8.747183333	pos	"10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid"	LMFA01030787	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.7	7.11	M+NH4	C12H20O3	-1.604865207	3558.733065	3478.123265	3411.583543	2503.284678	3287.52601	2795.450531	2628.780147	4000.248653	6238.645685	2331.430857	4436.867222	4360.347653	2942.546011	3019.594492	3797.609658	3860.767612	3299.807131	2685.457538	3534.192622
9.87_416.3018m/z	416.3018109	9.874866667	neg	O-tetradecanoylcarnitine	LMFA07070102	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			39.7	4.17	M+FA-H	C21H41NO4	0.132518094	3048.862952	3946.414811	3935.647736	4452.984573	4650.480807	3495.030981	4510.956294	5959.443768	7756.960538	2160.223189	4091.54453	6689.997088	4292.182751	3515.202968	3516.446569	3622.987933	2765.056651	3036.720993	3196.619883
0.64_202.0685m/z	202.0684893	0.643516667	pos	Glucosamine	HMDB0001514	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00329	39.6	0	M+Na	C6H13NO5	-0.579918621	3375.501069	4694.690766	4255.012047	4097.936701	4652.059946	2775.846715	3641.158853	4079.205857	5917.364046	2613.298877	3919.604705	6688.039183	3099.717644	3397.597984	3532.240009	4911.67849	3648.2366	5695.769457	2771.041247
0.64_239.1616m/z	239.1615994	0.643516667	pos	Dihydrozeatin	HMDB0012215	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	*	C02029	39.6	1.08	M+NH4	C10H15N5O	0.514172263	63526.52132	57274.70592	58019.95196	57260.87265	61363.61551	71073.81534	80055.0745	55145.61892	49959.85641	60173.97454	84129.6935	51945.72605	61698.75654	56747.78831	52236.06351	57331.75685	60975.95994	73242.55157	46239.85522
0.66_201.0887m/z	201.0886841	0.660716667	pos	2-Phenylethyl propanoate	90373	Benzenoids	Benzene and substituted derivatives	Unclassified	*		39.6	0	M+Na	C11H14O2	0.469979974	3426.212201	3861.904031	3593.165665	3560.046653	3209.944214	3875.31111	3493.298599	3441.884183	3838.728856	3705.409139	2893.425612	3513.416499	3513.238683	3902.069784	1890.101243	3469.689817	4053.501596	3433.521896	2962.561869
0.68_189.1345m/z	189.1345291	0.677733333	pos	Homo-L-arginine	HMDB0000670	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C01924	39.6	7.04	M+H	C7H16N4O2	-0.388392236	28470.70876	33127.24094	33064.53482	31694.16311	29812.02854	29960.98901	27687.44346	29323.43717	24707.2224	23191.98943	27853.49629	33787.28977	38397.56392	28718.91194	37084.9959	35343.41866	32289.63174	32054.95186	44257.03723
0.70_106.0500m/z	106.0499762	0.695266667	pos	Pyruvic acid	HMDB0000243	Organic acids and derivatives	Keto acids and derivatives	Alpha-keto acids and derivatives	**	C00022	39.6	0	M+NH4	C3H4O3	1.212593099	122777.1658	129089.799	95549.65035	140739.1876	115497.0716	103593.0448	95186.64635	120973.7975	104319.7256	100433.0278	111003.9075	158098.2618	119230.8187	128266.1554	116075.9602	131916.8774	103068.3753	140660.2182	116153.389
0.71_326.1088m/z	326.1088307	0.712816667	neg	N-(1-Deoxy-1-fructosyl)threonine	HMDB0037843	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			39.6	5.23	M+FA-H	C10H19NO8	-1.560687378	46732.1069	51525.03455	52617.07074	59899.78114	39978.7806	42519.6066	59287.48704	44395.27751	57545.00788	44488.67353	61048.19916	51999.25066	39207.80655	53363.4074	56537.01021	50112.47872	54172.74489	49788.3383	56577.30946
0.80_175.0845n	158.0811697	0.798133333	pos	N-Carboxyethyl-γ-aminobutyric acid	6542	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.6	0	"M+H-H2O, M+H"	C7H13NO4	3.76052E-05	20045.82656	17548.37726	16360.80156	19245.6986	19768.63204	22755.01227	16275.16982	12817.349	13741.22754	22235.14071	16644.34943	18361.6773	21564.97826	19384.45257	16827.44917	16708.14211	18336.34036	18142.8998	19405.90698
0.82_251.0693m/z	251.0693315	0.816033333	pos	MeIQ	72974	Organoheterocyclic compounds	Quinolines and derivatives	Unclassified	*	C19254	39.6	0	M+K	C12H12N4	-0.10851476	7777.301273	8740.916769	6279.603014	2765.296601	7077.91216	7838.037418	9375.643212	8117.873894	11390.97831	10844.34963	4603.295559	3814.757485	6939.85187	7189.059769	6227.297903	4787.088335	6964.388681	1857.550759	5430.776314
0.87_345.0013m/z	345.0013038	0.870166667	pos	"2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate"	HMDB0059651	Phenylpropanoids and polyketides	Depsides and depsidones	Unclassified		C04524	39.6	12.1	M+K	C14H10O8	1.890026643	26469.41931	27264.52856	27125.156	30593.40862	26146.77777	24772.98033	30511.00467	31290.33518	36663.38529	24375.83587	27980.79126	28747.45883	26411.16103	23710.2407	25040.4212	24447.84859	21336.99322	26445.47653	29758.57436
1.14_217.0471m/z	217.0470944	1.13905	pos	2-C-Methyl-D-erythritol 4-phosphate	64013	Unclassified	Unclassified	Unclassified			39.6	0	M+H	C5H13O7P	-0.33045417	3955.688706	3207.488154	2612.986894	3310.505297	2543.037304	3328.89892	3329.227981	3848.838817	4308.636067	3255.365094	3344.170892	2787.129489	2557.889683	2442.632723	3387.660919	3677.628389	2397.789081	3226.499562	2401.394745
1.30_154.0472m/z	154.0471535	1.296916667	pos	glutaramic acid	LMFA08010021	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			39.6	7.36	M+Na	C5H9NO3	-2.367893801	17513.99284	18368.19449	16093.84049	13444.20446	18969.52402	16619.71135	16393.10786	20642.90826	18141.7825	19894.49241	14402.73229	20195.52965	18609.79264	18449.99315	13936.53044	12355.84291	13172.87146	10451.14931	20794.17117
1.38_175.0477m/z	175.0477434	1.375966667	pos	N1-Methyl-2-pyridone-5-carboxamide	HMDB0004193	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	**	C05842	39.6	0.484	M+Na	C7H8N2O2	-0.360563594	20464.2902	21343.20761	20288.92119	28938.1292	4641.819333	12436.43101	27822.87185	24807.14906	9487.881369	16469.90066	19877.15279	52892.9452	27961.5019	27996.83318	16416.7732	15622.76318	14935.19281	10597.19508	26277.85484
1.46_275.0749m/z	275.0749002	1.457516667	pos	Nebularine	HMDB0029956	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified		C01736	39.6	4.77	M+Na	C10H12N4O4	-0.695456799	4820.284412	5269.976548	4950.019892	4875.294117	3572.341976	2709.880347	5000.094834	4415.299358	7222.606064	3508.944744	4640.413303	9121.385157	4048.788197	5400.453493	5793.945809	5391.896372	4059.412076	4529.337784	5792.267818
1.63_245.0599m/z	245.059939	1.633016667	neg	gamma-Glutamyl-S-methylcysteine	HMDB0031985	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.6	5.37	M-H2O-H	C9H16N2O5S	-0.804510359	2736.915943	2804.275366	3029.135573	1639.342449	3381.191841	3538.965198	5225.060041	1442.698133	1543.726169	5004.32601	3024.3454	810.8708035	4996.702763	4935.136014	2633.857052	2556.489561	3415.500717	1156.330951	2445.23832
1.63_310.1758m/z	310.1758313	1.6338	pos	Lysyl-Tyrosine	HMDB0028963	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.6	2.6	M+H	C15H23N3O4	-0.974776584	57260.54773	59852.43125	54171.58917	41489.61093	77085.35323	57113.99588	66120.96125	47287.77961	38039.56052	64065.21076	51655.71656	35207.87464	73809.35823	67431.91533	65582.6506	57953.50288	68570.31517	40797.59937	80971.81649
1.96_158.0215n	159.0286312	1.9633	pos	2-methylene-4-oxo-pentanedioic acid	74922	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.6	1.67	"M+H-H2O, M+H"	C6H6O5	-0.125595839	3139.005974	3594.21201	3065.568274	1153.59047	1333.170781	1128.053578	1034.676968	36399.49842	6624.663126	1165.967789	1041.643696	2287.074714	1316.877705	1467.940577	1204.562028	1326.822876	1293.921677	1109.353451	1351.417787
1.98_127.0391m/z	127.0390541	1.98295	pos	5-Hydroxymethyl-2-furancarboxaldehyde	HMDB0034355	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	***	C11101	39.6	0	M+H	C6H6O3	0.663270667	1304.470904	1177.048223	1235.957676	1263.738808	1272.831117	1186.901016	1321.383012	1323.300221	1186.156818	1323.671782	1117.134998	1433.502057	1318.880932	1344.914655	1237.559004	1382.147198	1270.997989	1216.90053	867.7571446
10.02_399.0070m/z	399.0069574	10.02045	neg	Sevoflurane	2422	Organic oxygen compounds	Organooxygen compounds	Ethers		C07520	39.6	0	2M-H	C4H3F7O	-0.476612243	15807.33072	16370.3542	15676.47739	15543.72707	17181.15518	16620.07301	17011.73497	16303.88899	16998.2254	17468.52359	18315.82139	14936.88313	16740.02316	16189.89701	16688.75603	17028.46642	15640.91618	17429.0214	16334.59085
10.55_470.3484m/z	470.3483912	10.5516	neg	Elaidic carnitine	HMDB0006464	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.6	4.26	M+FA-H	C25H47NO4	-0.753831277	5886.938155	5770.014848	5670.822354	5732.276026	7723.122752	10343.00328	6998.598049	10423.23436	11172.48281	6547.55379	5657.027738	9310.890231	8503.507743	6151.960551	4965.275261	5582.715566	5387.103467	6189.810372	5666.731552
10.78_270.3150m/z	270.314973	10.7763	pos	1-Octadecanamine	24042	Organic nitrogen compounds	Organonitrogen compounds	Amines			39.6	4.24	M+H	C18H39N	-2.05593807	13986.95054	13766.96003	13529.74663	13973.9544	13576.91541	14274.14292	14439.97041	13648.59123	13799.2248	13691.2547	13862.33797	13648.36834	12923.39252	13019.84637	13888.91239	14732.97165	14366.96658	14606.58601	13527.84986
10.81_243.1961m/z	243.1961089	10.80621667	neg	Tridecan-2-one	LMFA12000058	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		39.6	2.06	M+FA-H	C13H26O	-2.317813171	10675.99379	10600.95666	10546.34989	11848.71123	13947.65994	11570.76714	9014.842272	7658.932208	10935.70922	9291.585539	10332.16124	9346.281024	13009.06789	11373.39371	10272.38653	11933.12795	9429.041879	10301.4909	13873.90348
10.98_286.3098m/z	286.3097594	10.98355	pos	Oleyl alcohol	LMFA05000684	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		39.6	5.02	M+NH4	C18H36O	-2.541927327	171965.6637	166520.0263	178264.9233	186092.5711	172539.9171	177666.7258	181961.7314	180255.8956	179171.6493	182880.502	182300.2763	174949.1021	173184.5322	175263.7212	188493.982	194527.3632	180745.1555	188544.4557	174330.0324
11.10_622.3334m/z	622.3334242	11.1045	neg	PHODiA-PE	LMGP20020021	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			39.6	7.86	M-H	C29H54NO11P	-4.407815127	336231.2924	306994.9481	335785.6428	364056.1328	340595.0193	337385.6698	390561.1725	389428.2478	335362.8178	365173.6966	382492.4339	379673.7233	412151.8264	356526.1592	283066.3773	343355.6215	332553.1931	412420.963	353637.633
11.51_311.1685m/z	311.1684819	11.50813333	neg	N-Undecylbenzenesulfonic acid	HMDB0032549	Benzenoids	Benzene and substituted derivatives	Benzenesulfonic acids and derivatives			39.6	3.23	M-H	C17H28O3S	-0.504366657	393537.2427	382053.9659	389254.0591	308401.1601	310293.0307	296747.0679	348906.1572	301989.603	321667.256	294809.3809	349249.846	347195.9143	309685.929	350946.6452	307862.9654	297943.049	309555.7073	355907.0618	317500.804
11.58_552.3299m/z	552.3298825	11.58355	pos	"PG(20:3(8Z,11Z,14Z)/0:0)"	LMGP04050025	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols			39.6	13.4	M+NH4	C26H47O9P	0.537589893	55143.87989	41168.16037	54915.85548	52783.7997	50041.48171	51859.64686	67762.18314	36837.41172	44645.47778	36128.29449	54832.02552	42337.03466	51515.27392	58412.09265	54906.22171	55759.90928	62887.07933	49447.65578	56211.37787
13.58_184.9852m/z	184.9852223	13.57831667	pos	Phosphohydroxypyruvic acid	HMDB0001024	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C03232	39.6	5.83	M+H	C3H5O7P	3.569602969	1104340.395	917772.873	1139532.833	1176188.145	1093188.552	1108140.054	1113931.892	1133872.154	1077109.243	1123003.267	1124105.999	972616.1215	1102715.979	1114341.042	1156467.275	1218231.147	1191879.694	1209900.805	1140959.09
15.50_137.0817m/z	137.0817161	15.5042	pos	Tetrahydropteridine	HMDB0001216	Organoheterocyclic compounds	Pteridines and derivatives	Unclassified		C05650	39.6	9.15	M+H	C6H8N4	-3.355908679	8265.235778	9024.494902	8110.078824	9421.881923	8072.205475	8464.600282	8091.785108	7653.829242	8332.634081	8332.859313	8922.257076	8738.885861	7577.080359	8134.283775	9337.788157	8212.907184	8406.181254	8464.168094	8380.854487
15.64_285.2782m/z	285.278159	15.64291667	pos	15-methyl-heptadecanoic acid	LMFA01020205	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.6	8.6	M+H	C18H36O2	-2.278818767	54653.37419	55316.18615	53166.31814	58408.48642	56480.74244	55319.29863	59540.49181	52746.51558	58196.99823	56410.07101	59208.85604	54246.60569	52039.26932	51788.39852	55747.64558	55884.2558	54554.03151	53971.52737	52855.32748
2.37_237.1459m/z	237.1459052	2.372466667	pos	trans-Zeatin	HMDB0012204	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	***	C00371	39.6	0	M+NH4	C10H13N5O	0.317533204	3878.485006	4181.708843	4004.943214	3841.273863	3574.544525	4316.78962	3919.333238	3730.632758	3527.565442	3570.195038	4109.173107	3973.025328	3464.126361	3856.924409	3471.9606	4005.545142	3874.166727	3961.637763	3487.781262
2.92_217.0470m/z	217.0470176	2.92155	pos	L-(-)Sorbose	3317	Unclassified	Unclassified	Unclassified			39.6	0	M+K	C7H14O5	-1.482341022	77285.23345	72627.09684	74397.08879	76418.63481	73489.45468	76834.13272	74011.62515	74108.87767	75227.12158	76574.39154	75434.69321	77012.94348	72795.47945	73512.99945	76952.64348	79079.99071	75447.46097	75323.96459	69871.9766
3.28_133.0859m/z	133.085908	3.276583333	pos	2-hydroxy-3-methyl-pentanoic acid	LMFA01050380	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39.6	0	M+H	C6H12O3	-0.09595812	1861.383441	1826.941146	2244.02459	2411.672692	2193.931149	2459.573033	2793.074839	2159.243084	2552.68155	2348.885576	1967.739234	2131.75421	1754.83291	1823.319814	1979.538339	2163.7246	1617.494777	2335.965435	2213.372714
3.50_207.1381m/z	207.1380688	3.498333333	pos	Plastoquinol-1	LMPR02010037	Lipids and lipid-like molecules	Prenol lipids	Quinones and hydroquinones	**	C02185	39.6	0	M+H	C13H18O2	0.546245363	798.172793	1046.509165	820.278244	1182.033725	1084.607837	1073.109836	853.0154093	674.2628491	974.2424393	754.810323	762.6278021	1095.419482	936.9480254	792.0897246	889.2983908	799.637257	759.507715	743.5407669	763.2566134
3.53_226.0709n	271.0698988	3.534466667	neg	5-Acetylamino-6-formylamino-3-methyluracil	HMDB0011105	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C16365	39.6	5.29	"M-H, M+FA-H"	C8H10N4O4	3.001329856	277858.5382	286232.613	285946.6174	294676.3861	283544.9813	283748.9576	300107.7537	244286.9315	238860.5758	292843.2417	294294.7829	269961.7266	288908.4258	302136.1982	284311.5375	294830.3585	300136.4921	310739.0299	310797.061
3.74_292.0415m/z	292.0415288	3.743483333	neg	Emtricitabine	HMDB0015017	"Nucleosides, nucleotides, and analogues"	Nucleoside and nucleotide analogues	3'-thia pyrimidine nucleosides		C12599	39.6	9.51	M+FA-H	C8H10FN3O3S	2.572628217	2008.216058	2168.48127	2199.584436	795.3873948	3414.559833	735.2242247	1389.931673	8177.676776	4706.177762	825.7930532	1008.764719	1462.452001	1235.185379	2293.915722	1550.284859	1205.771183	3550.967915	1872.387492	1107.971908
4.02_256.1187m/z	256.1187327	4.01795	neg	Glutarylcarnitine	LMFA07070066	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.6	4.46	M-H2O-H	C12H21NO6	-1.139803877	2214.700651	2418.445149	1977.607169	2595.288783	2167.545364	3004.988756	2798.994921	434.0645259	285.3492653	2858.050207	3150.23647	1128.378121	3097.507008	3878.494043	2515.8877	2184.083831	2741.739854	2900.088926	3261.988708
4.42_241.1189m/z	241.118924	4.4158	neg	Isoleucyl-Glutamate	HMDB0028906	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.6	7.75	M-H2O-H	C11H20N2O5	-1.755473138	2085.737371	2263.466348	2134.505714	2162.117641	1512.502533	2044.625798	1824.707688	3278.148789	2529.158581	1867.813169	2547.308927	3848.565075	2084.867114	1876.073341	1863.140437	3083.614423	1780.210182	2076.811251	2564.347217
4.46_258.1345m/z	258.1345015	4.458266667	neg	2-nonenoylglycine	HMDB0094807	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.6	3.47	M+FA-H	C11H19NO3	-0.914316347	2230.50743	1975.229712	1911.253029	1130.135356	3372.674647	2107.091068	1119.487924	4887.96194	4010.537808	2170.932616	1146.713035	1908.694795	1502.977624	1592.026612	1463.066824	711.058651	1486.072277	1003.046304	1471.206679
4.73_271.1162m/z	271.1162127	4.73175	neg	Decarbamoylneosaxitoxin	HMDB0033663	Phenylpropanoids and polyketides	"Saxitoxins, gonyautoxins, and derivatives"	Unclassified			39.6	3.89	M-H	C9H16N6O4	0.68376303	749.5813902	819.0890017	813.2509511	619.023184	673.8870815	1686.291946	643.953658	885.1395945	561.9427049	1508.686591	717.9702452	563.344492	672.2787836	548.6839867	464.5784067	263.5991425	637.6753556	623.0858248	422.9619435
5.96_332.2425m/z	332.242505	5.959566667	pos	3-hydroxydecanoyl carnitine	HMDB0061636	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.6	4.76	M+H	C17H33NO5	-1.945918661	5468.867621	5194.088741	4940.565563	3650.083194	6569.753716	4773.762927	4463.385128	6125.655124	7797.644172	6326.962764	5156.098764	9818.157413	3905.877668	2868.699235	4756.688347	3572.255851	4966.589769	3409.391647	4359.12635
6.23_374.2547m/z	374.2546806	6.228083333	neg	"4,8 Dimethylnonanoyl carnitine"	HMDB0006202	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.6	3.41	M+FA-H	C18H35NO4	-0.397538334	4238.141027	4336.575737	4483.464551	3738.877482	8240.137931	1763.294306	10562.48762	8890.365954	2600.019415	9840.072056	3352.537554	2331.834128	5758.430761	6721.164618	2176.105282	2198.508908	2432.473903	3142.259135	3597.483432
6.46_188.2006m/z	188.2005549	6.46085	pos	2-Undecen-1-ol	HMDB0034856	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		39.6	2.75	M+NH4	C11H22O	-1.974407179	813.0806142	930.8303679	885.019307	3843.745267	438.9333576	283.5044483	405.7311368	288.1693469	240.196419	341.6489803	1099.96392	1283.863794	597.2601788	1030.261155	1309.395842	383.4189571	4412.986435	467.6225941	347.8442328
7.43_196.0521m/z	196.0521459	7.43125	pos	8-Isoquinoline methanamine (hydrochloride)	45036	Unclassified	Unclassified	Unclassified			39.6	0	M+K	C11H11N	-1.028236409	4124.633247	4377.318485	4228.506603	4840.777048	4083.227257	4227.969712	4432.745517	4665.042883	4519.773625	4395.919472	4772.192965	4222.894067	4483.133429	4188.150942	4487.498463	4705.099325	4225.907496	4633.150666	3900.676194
7.96_408.2875n	453.2858329	7.9625	neg	"1b,3a,12a-Trihydroxy-5b-cholanoic acid"	5315	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		39.6	0	"M-H, M+FA-H"	C24H40O5	-0.128477131	26845.88581	20956.92087	19433.35805	23620.37007	20196.88107	7251.953964	12922.66446	134.687338	5279.293545	37760.82984	19169.06765	939.1701135	28156.23367	21925.00251	51754.70838	12525.50401	35228.89505	31880.02803	48230.00442
9.77_453.1667m/z	453.1666965	9.77185	pos	Armillarin	HMDB0039380	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		39.6	2.69	M+K	C24H30O6	-1.690576213	169344.2147	189664.5212	174505.2639	130728.0951	169359.6092	138612.3137	134187.8552	240775.8879	137978.7875	125786.3389	147347.3749	161936.4899	167944.2587	151632.132	123961.998	142966.2128	133414.4815	136408.4868	132577.3194
0.46_227.2009m/z	227.2008821	0.457466667	neg	Myristic acid	HMDB0000806	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C06424	39.5	3.87	M-H	C14H28O2	-3.38113192	33501.23274	32553.46015	33619.68933	32673.49228	33863.19864	30762.99553	32651.8956	32178.21903	31761.85777	34214.62869	31869.78125	32856.28735	33554.51799	34766.88914	34686.56767	34225.32818	31659.63295	33940.27879	31609.79277
0.46_231.1748m/z	231.1747585	0.457466667	neg	"5E,8E,11E-hexadecatrienoic acid"	LMFA01030135	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.5	3.17	M-H2O-H	C16H26O2	-2.719591319	64646.42199	62081.24788	62251.76573	58877.55114	62592.83816	57800.74064	60964.76667	61890.78481	60406.08797	63327.20067	63306.76507	60060.99416	63377.41673	66152.53653	64199.45991	65604.86617	60463.92174	63372.54334	59009.04041
0.62_494.9907m/z	494.9907201	0.623133333	neg	Vanillic acid 4-sulfate	96140	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives			39.5	0	2M-H	C8H8O7S	-0.303668623	8372.292962	6092.804961	5774.721794	6434.748354	7222.004159	5402.334655	8708.042525	4898.309054	5601.888096	6709.716024	9196.967199	4128.427353	7452.926078	7508.477201	6672.174847	8139.824432	7941.405306	7938.238077	5866.579421
0.64_347.1213m/z	347.1213053	0.643516667	pos	S 26191	2703	Unclassified	Unclassified	Unclassified			39.5	0	M+H	C15H17F3N2O4	-0.036931418	2547.867054	2845.933779	3516.482534	2938.572156	2631.618419	3256.056093	1620.132323	2142.451409	3491.851328	4108.825277	2147.485636	7451.157458	3559.627366	2835.638122	3639.131803	3602.162474	1737.635724	3189.385631	4829.871459
0.66_255.1355m/z	255.1355378	0.660716667	pos	12-Hydroxydodecanoic acid	HMDB0002059	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives		C08317	39.5	1.57	M+K	C12H24O3	-0.762890598	29036.2469	29227.81602	29165.36778	25638.89627	31520.07457	37368.80218	38311.64407	36098.613	33111.60113	33371.32635	35711.98045	36242.05456	25931.54976	26653.524	24172.97583	23094.14718	27750.40658	25751.60459	28055.05986
0.71_387.0781m/z	387.0780711	0.712816667	neg	D-Glucuronic acid	HMDB0000127	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	***	C00191	39.5	0	2M-H	C6H10O7	0.10878166	64426.48779	49795.59516	64536.70031	96366.76889	43737.46034	212788.1473	24922.08895	76390.73881	91221.44748	62771.94639	73152.73113	63890.05975	50803.42016	22176.13217	34393.51845	57917.18079	28189.97145	53109.41819	22258.38409
0.80_231.0313m/z	231.0312614	0.801	neg	Thorium	HMDB0029215	Homogeneous metal compounds	Homogeneous actinide compounds	Unclassified		C19157	39.5	0	M-H	Th	2.104636988	919.5937827	1322.674819	1102.864887	1142.766184	729.1583153	1088.258535	1069.98755	1520.62687	1115.649298	1373.729675	726.0850525	1444.603021	925.0311231	784.9284722	1365.477091	1143.097048	926.9482472	1236.39512	1368.05116
0.83_132.0245n	150.0582075	0.833416667	pos	3-methyl sulfolene	96259	Organoheterocyclic compounds	Dihydrothiophenes	Unclassified			39.5	7.27	"M+H, M+NH4"	C5H8O2S	0.145749583	2663973.102	2701774.923	2640314.533	2791159.176	2559777.569	2605522.74	2473844.191	2258477.678	2005198.175	2629322.151	2527084.795	2753263.623	2861853.439	2753885.064	2980515.072	2777020.483	2761568.519	2896564.997	3276877.582
0.97_127.0391m/z	127.0390761	0.968583333	pos	"2,3-Dimethylmaleate"	63874	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C00922	39.5	0	M+H-H2O	C6H8O4	0.732985315	3145.057914	3638.931837	3516.673707	3715.353355	3628.153486	3497.277018	3614.66637	3442.148865	3637.547371	3989.349831	3569.160668	2925.67821	3610.795548	3583.965828	3440.859807	3403.018254	3437.676364	3405.624217	3432.74181
1.00_292.9869m/z	292.9868539	1.001316667	neg	Sodium citrate	69553	Unclassified	Unclassified	Unclassified			39.5	0	M-H	C6H9Na3O9	0.563197427	23290.05316	27121.98083	26720.37858	28859.34248	27782.347	25256.56966	26845.10189	24989.00492	26270.79537	29541.02746	32598.31347	23492.32274	24899.88034	27491.76495	25876.24365	26561.50337	27628.26135	28123.03303	25857.51592
1.08_259.0934m/z	259.0933755	1.079266667	pos	Thymidine glycol	HMDB0042036	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides			39.5	6.03	M+H-H2O	C10H16N2O7	3.306454619	38672.32175	36415.90027	29645.98647	37458.03823	32550.39407	36875.96585	27748.60939	32551.18216	37116.7604	35414.96487	25704.16815	7149.751386	37650.9921	33133.94818	35425.47842	37514.86767	33376.27134	38555.94737	36971.80503
1.08_271.1055n	316.1048757	1.081483333	neg	Deidaclin	66908	Unclassified	Unclassified	Unclassified			39.5	0	"M-H, M+FA-H"	C12H17NO6	-0.424073443	63154.58583	68251.96677	72988.88585	79829.09002	70769.26005	60140.62277	64599.52873	56331.44663	43822.08019	67578.51404	96097.87289	37752.79792	78641.69082	72174.15302	74001.86815	80914.47063	66690.37556	79026.67096	88728.82256
1.18_348.2011m/z	348.2011358	1.179566667	pos	"(4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside"	HMDB0039056	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		39.5	4.1	M+NH4	C16H26O7	-1.644391754	6728.601813	7600.918229	6520.539185	8368.255952	7613.020922	7611.331178	7522.204084	4440.508231	5263.593209	6354.898969	6793.67482	5707.205099	9493.858316	7626.608061	6587.259335	8145.834977	8932.357408	6748.294191	9455.177968
1.22_465.9816m/z	465.9816367	1.220333333	neg	dCTP	HMDB0000998	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine deoxyribonucleotides	**	C00458	39.5	0	M-H	C9H16N3O13P3	-1.465445298	2336.461592	2137.810395	2169.785133	3118.878512	1613.648243	2426.762744	2486.310141	695.8358347	1091.592875	2355.258244	1657.077546	1757.54646	3110.195475	1911.514075	2287.248855	2441.563284	1814.657828	2568.133818	2095.346584
1.24_183.1015m/z	183.1014883	1.239083333	pos	Iridotrial	41149	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids	**	C06070	39.5	0	M+H	C10H14O3	-0.452734731	4335.383404	3981.415666	5641.764809	4036.595771	4744.635218	4299.557981	4055.894728	5278.787351	5013.631846	5006.306051	5864.508089	4257.00433	4190.557136	5809.317246	5698.952745	4614.460493	5766.599855	4603.499558	5017.402421
1.28_317.0988m/z	317.0988131	1.278416667	neg	N-Methyl-2-oxoglutaramate	66012	Unclassified	Unclassified	Unclassified			39.5	0	2M-H	C6H9NO4	-0.710366332	4817.150075	5481.76197	5624.330793	5485.235183	3484.066566	4306.09594	5566.765373	7716.059037	10596.22312	4241.110013	5745.02274	9303.042786	5730.209362	5735.072542	4665.77303	4849.108404	4596.478448	5246.375462	6669.818594
1.38_153.0658m/z	153.0658242	1.375966667	pos	2-Benzoxazolol	HMDB0032931	Organoheterocyclic compounds	Benzoxazoles	Benzoxazolones			39.5	0	M+NH4	C7H5NO2	-0.220228171	10333.44606	10862.73059	9587.41091	14698.08636	2103.113779	5908.331169	13500.38583	11782.24125	4452.723526	8319.223174	9780.044075	28699.46722	14413.06274	14113.79731	8170.733592	7288.489923	7620.66583	5199.628349	14756.92764
1.44_237.1463m/z	237.1462587	1.438566667	pos	3-oxo-dodecanoic acid	74729	Organic acids and derivatives	Keto acids and derivatives	Medium-chain keto acids and derivatives		C02367	39.5	0	M+Na	C12H22O3	0.67005962	3177.282118	2884.045388	2594.910591	2723.420124	2490.039537	2813.24775	3070.310506	2622.498228	3106.391738	2911.593036	2886.07904	2842.026299	2620.27052	2718.827053	3062.145035	2996.336079	2955.870116	2672.696257	2543.790117
1.53_249.0878m/z	249.0877744	1.526883333	neg	"3,6-Dihydronicotinic acid"	64432	Unclassified	Unclassified	Unclassified			39.5	0	2M-H	C6H7NO2	-1.224139924	310.6024629	264.0381677	292.9958522	507.2080624	189.5357588	1009.585382	121.1696245	439.5778387	159.2264691	256.3205259	256.855845	174.4100692	509.712357	207.0103981	271.0810211	157.651022	357.6561853	548.664935	370.3349772
1.59_311.1226m/z	311.1225624	1.59115	neg	N-Ethylammelide	66433	Unclassified	Unclassified	Unclassified			39.5	0	2M-H	C5H8N4O2	1.242557002	2661.757897	2836.497157	2999.426657	2778.544805	2174.666028	2152.141302	2858.667908	2433.984843	3675.474337	2158.838435	3284.598161	6718.920659	2757.672539	3032.313953	2635.283086	2121.240711	2406.153846	2910.038646	2917.076477
1.69_123.0805m/z	123.0805139	1.689733333	pos	2-Methylbenzyl alcohol	66608	Benzenoids	Benzene and substituted derivatives	Benzyloxycarbonyls	**	C07213	39.5	0	M+H	C8H10O	0.59394649	17422.81624	15725.10642	15898.42923	15161.91455	15728.39701	16375.07951	16941.71811	17378.26071	17881.99735	17456.05873	17784.84227	16968.6765	15299.76797	16494.37542	17029.6637	16430.55909	16116.96021	15083.10405	14504.86754
1.75_299.0615m/z	299.0614987	1.748516667	pos	Flutamide	553	Benzenoids	Benzene and substituted derivatives	Trifluoromethylbenzenes	**	C07653	39.5	0	M+Na	C11H11F3N2O3	0.366286235	4647.985737	5212.330145	5193.077675	4626.598225	4797.792871	4868.103047	4973.217609	3961.698674	4720.24874	4860.068659	4794.655812	4984.862593	4648.098697	4789.956215	5017.191764	5690.470608	4016.855906	5320.316817	5057.427724
1.85_223.0635m/z	223.0634729	1.8459	pos	3-(3'-Methylthio)propylmalic acid	64494	Unclassified	Unclassified	Unclassified			39.5	0	M+H	C8H14O5S	0.008821826	30875.50878	31096.26641	29058.65433	30846.36066	28541.88685	32901.61737	32202.27165	30464.33154	30014.7435	29789.10807	31145.16761	33519.47385	32176.39029	33174.45929	32780.08251	33351.25749	32107.73928	31601.98085	26913.16211
10.23_468.3330m/z	468.3330372	10.23283333	neg	"9,12-Hexadecadienylcarnitine"	LMFA07070009	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.5	3.83	M+FA-H	C25H45NO4	-0.058116814	5001.54058	4641.833498	4164.33432	5333.812666	4445.474997	6125.503505	6168.575466	10315.93859	9715.53613	4117.541045	4603.897425	8566.646655	4688.586161	4153.294331	4488.704708	4604.045902	4775.861257	4966.910569	3540.823014
10.23_492.3330m/z	492.332961	10.23283333	neg	N-Stearoyl tyrosine	HMDB0062343	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.5	0	M+FA-H	C27H45NO4	-0.22539772	11413.88155	9890.136429	9818.576209	10703.87182	10712.64155	20261.78456	11850.15937	23682.72644	23039.13334	15189.42998	13396.50875	16141.63802	10740.71201	10881.48344	9278.878845	9302.549276	11825.70799	11359.95749	9290.447237
10.26_290.1111m/z	290.111149	10.25731667	pos	Agaritine	65610	Unclassified	Unclassified	Unclassified			39.5	0	M+Na	C12H17N3O4	0.083470005	1532.588573	1484.912743	1498.065913	2733.374145	1779.538798	2266.729982	1242.630931	609.8719525	465.3950539	1380.328914	1434.495985	928.4712971	3166.691816	2920.246599	2711.576834	1978.840236	2302.312723	1703.195352	2651.498174
10.32_399.2498m/z	399.2497661	10.31815	neg	Ecgoninium Methyl Ester(1+)	HMDB0062751	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.5	0	2M-H	C10H18NO3+	-0.735380571	803.9985616	962.5177655	1048.842957	1049.727207	503.8739498	1366.967668	646.9830417	0.000297236	392.7674474	959.720134	634.6242204	435.5828812	1193.561821	973.2596297	916.2047399	823.6302998	1336.981939	1247.378222	983.776533
10.85_546.2821m/z	546.2821011	10.84901667	neg	"PE(20:4(5Z,8Z,11Z,14Z)/0:0)"	LMGP02050009	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		39.5	4.67	M+FA-H	C25H44NO7P	-3.273876766	120655.067	98400.18089	104160.838	114142.2229	128014.908	126796.5691	116855.1503	98205.81627	105322.7965	102988.849	106864.2751	106770.2385	150006.7403	121410.1779	117678.2266	115042.8541	120971.0763	115169.4987	126970.5451
11.57_508.3408m/z	508.3407931	11.57193333	neg	1-heptadecanoyl-sn-glycero-3-phosphocholine	24068	Unclassified	Unclassified	Unclassified			39.5	3.19	M-H	C25H52NO7P	-0.137641578	21106.94669	20946.89486	17979.41396	19613.38554	20670.45427	19346.21196	23761.45411	15624.91182	17434.53535	15538.69049	19553.33015	19799.66847	24299.0591	23936.84344	21197.7613	20555.23109	24685.91225	21023.15858	18311.96015
11.87_484.4351m/z	484.4350974	11.87071667	pos	Docosanoylcarnitine	HMDB0062468	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.5	7.61	M+H	C29H57NO4	-1.941073174	24683.62848	20716.74672	24212.97753	15954.51607	26536.29173	27673.50598	23634.61297	44751.11897	35276.54149	21055.48197	17498.73046	30654.12124	23386.7071	21634.189	16988.84531	16897.63255	20989.53741	20921.9644	16785.41191
12.00_297.2432m/z	297.2431964	11.99595	neg	14-Methyl-8E-hexadecenal	LMFA06000194	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes			39.5	1.71	M+FA-H	C17H32O	-1.277036566	19398.44542	18600.71235	19416.10189	21366.51861	29243.39145	27701.25991	13468.69251	17269.74536	18577.9732	20314.6928	16333.9104	21282.70365	29494.82975	21308.99793	13638.38322	20953.85935	16904.51494	18814.73283	19716.48387
12.02_857.5182m/z	857.5182276	12.01765	neg	"PI(16:0/20:4(5Z,8Z,11Z,14Z))"	HMDB0009789	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	*		39.5	2.2	M-H	C45H79O13P	-0.378783592	687200.4613	643592.0929	429694.9084	513595.049	625038.374	658041.3679	704656.2086	637045.7869	620258.5414	620820.2334	690455.2233	748001.959	759717.2813	677080.1334	667094.0019	699268.1743	615629.9725	650326.2652	469161.3213
12.30_294.2784m/z	294.2783795	12.30358333	pos	5a-Androstan-3b-ol	LMST02020095	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	*		39.5	9.78	M+NH4	C19H32O	-2.757239628	996.7552082	1214.675257	1531.078862	775.958109	2568.602665	513.902776	4023.146693	3635.317928	271.5589408	3362.251666	617.6528556	0.000297236	1688.238151	3679.155727	346.4303967	363.9798466	319.3865016	570.6796647	1001.800584
12.44_415.2810m/z	415.2809752	12.44303333	pos	Chenodeoxycholic acid	HMDB0000518	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	**	C02528	39.5	11.6	M+Na	C24H40O4	-2.307640034	38453.08397	35205.69168	40724.16039	37381.53698	36525.46195	36080.91188	39879.24211	38892.64378	37780.51947	40154.39214	37969.00597	46794.42916	38664.58724	37410.21116	41282.67114	37586.33654	36833.045	40694.38935	36933.52963
13.01_370.2766m/z	370.2765746	13.00628333	pos	N-palmitoyl methionine	LMFA08020109	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			39.5	7.03	M+H-H2O	C21H41NO3S	-2.200714813	294469.4241	308073.2344	356819.2822	366862.6098	313725.8372	437445.6859	310423.368	434252.5165	361964.6398	249416.2259	301656.7861	473420.3944	395635.5811	403946.8344	366684.6015	400297.4363	452649.6171	428784.1564	362317.9464
2.46_296.1138m/z	296.1137821	2.458216667	neg	Ac-Tyr-OEt	44264	Unclassified	Unclassified	Unclassified			39.5	0	M+FA-H	C13H17NO4	-0.712128792	35105.89068	34920.65245	36177.00473	42552.86005	31247.14069	39536.33218	28472.75936	34805.49524	36572.86794	32468.77557	36324.34231	31360.39934	34888.01427	35832.7023	41949.90584	40663.33231	36462.85215	45974.26341	39491.70516
2.80_123.0805m/z	123.0805128	2.803866667	pos	3-Methylbenzyl alcohol	66610	Benzenoids	Benzene and substituted derivatives	Benzyloxycarbonyls	**	C07216	39.5	0	M+H	C8H10O	0.585527673	27202.30566	23789.3637	23833.07393	24624.24803	23991.05982	24629.39551	24785.20734	25989.64932	27727.33036	25449.48675	26300.25671	26208.34581	24037.88961	23508.79268	25459.92466	25203.34921	23318.32936	24690.99756	22652.0203
3.83_316.1756m/z	316.1755852	3.82585	pos	Alizapride	HMDB0015494	Organoheterocyclic compounds	Benzotriazoles	Unclassified			39.5	9.4	M+H	C16H21N5O2	-3.858821695	2141.918051	2407.043404	2233.111365	1407.823328	2310.509587	4186.740358	1249.524609	6597.082616	5062.312599	2429.383879	1267.774523	3690.24342	1929.440484	1544.057884	1814.504457	1522.167206	1080.181378	1731.618648	1675.542931
3.93_236.1156n	237.1228721	3.930916667	pos	Hexobarbital	HMDB0015444	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives		C11723	39.5	24.1	"M+H, M+NH4"	C12H16N2O3	-2.103852591	4078.994819	4075.160437	4349.044666	3501.816155	2564.524423	2536.751019	2899.454266	2957.075513	3005.793718	2919.457591	1897.773205	3936.561537	2012.527632	4077.147033	3940.055357	2663.266579	3316.921855	2847.277343	2235.981898
4.08_308.0776m/z	308.0775908	4.078183333	neg	Inodxyl glucuronide	61642	Unclassified	Unclassified	Unclassified			39.5	0	M-H	C14H15NO7	0.049829459	858.0756315	976.6333949	863.4044991	446.6140739	1079.953149	850.2966995	418.659884	2832.779308	4788.244685	1123.351734	385.3924036	969.6693046	828.0554828	455.8700783	716.562981	417.7469704	472.1708903	326.4811594	393.402924
4.31_363.1660m/z	363.1660332	4.309783333	neg	"1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside"	HMDB0033237	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			39.5	4.75	M-H2O-H	C16H30O10	-0.059656807	1502.820202	1887.463704	1771.925837	641.4886903	1028.718551	2117.398982	515.5601497	8547.634069	6282.199189	1862.986484	783.3857302	1471.222857	659.5602988	860.8044382	712.5330658	312.2466142	704.163994	535.5816366	1034.691936
4.43_295.1285m/z	295.1285336	4.431116667	pos	Phenylalanyl-Glutamate	HMDB0028994	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		39.5	5.45	M+H	C14H18N2O5	-1.069306951	505.7813293	412.8429548	432.4642639	150.2171982	201.0166904	141.583901	198.9731074	3237.713574	1900.970124	110.589879	76.90118004	734.3119146	104.6606268	163.8117285	0.000297236	112.6735957	78.8392735	76.01223561	88.32555509
4.60_166.9905m/z	166.9905497	4.595183333	pos	3-Fluorocatechol	71213	Unclassified	Unclassified	Unclassified			39.5	0	M+K	C6H5FO2	0.265683655	1587.102034	1879.596737	1949.738778	2213.10122	1991.47321	2146.078942	1865.939522	1637.835519	2251.963269	2042.853966	1937.666356	2148.792573	2017.958084	2113.77866	2118.678982	2241.561497	1859.191823	2113.213773	1935.170247
5.02_343.0911m/z	343.091131	5.017966667	neg	Hydantoin-5-propionic acid	HMDB0001212	Organoheterocyclic compounds	Azolidines	Imidazolidines	**	C05565	39.5	8.27	2M-H	C6H8N2O4	4.632361769	1281.873098	1383.045593	1365.450569	1343.841447	1045.561591	1722.394573	1339.986098	1035.694078	764.242326	1571.147374	1236.587718	1767.324877	1542.316614	1268.845578	1548.852633	1148.184826	1476.120773	1398.221666	2342.851115
5.08_203.1060m/z	203.1060184	5.0822	pos	Tremetone	67334	Unclassified	Unclassified	Unclassified			39.5	10.6	M+H	C13H14O2	-3.155697393	1639.418641	1134.608208	1393.056091	1269.370652	1074.703531	1574.95029	1180.930994	1848.945414	1845.175271	1424.583097	1305.953166	1736.653222	1289.748459	1264.77828	1419.85182	1474.608455	1339.199951	1319.198061	1460.489142
5.12_240.1491m/z	240.1490697	5.123166667	pos	Anatalline	64434	Unclassified	Unclassified	Unclassified			39.5	5.69	M+H	C15H17N3	-1.899485523	296.7450272	377.6617603	360.5864245	0.000297236	0.000297236	0.000297236	4850.288096	0.000297236	117.2659682	86.82265605	394.8382929	0.577263598	66.45962751	65.39850076	74.5832337	2.481696408	0.000297236	0.000297236	71.4765003
5.50_301.2020m/z	301.2020459	5.501433333	neg	Ipomeatetrahydrofuran	HMDB0040904	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		39.5	0	M+FA-H	C15H28O3	-0.006674797	289.3055552	288.4687813	396.9088078	421.2554375	611.1079563	218.692072	441.58602	213.3760158	242.2529883	187.3673842	362.2249969	144.5614916	310.6193358	198.9155242	722.1464014	434.5914946	379.4790606	722.2000689	257.9440577
6.62_287.2211m/z	287.2211031	6.62325	pos	"11,12,15-trihydroxy palmitic acid"	LMFA01050102	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.5	6.33	M+H-H2O	C16H32O5	-1.915728351	15560.82976	14599.09614	15668.27907	16211.72816	14751.81553	16321.73255	16347.79938	14789.53644	15129.44012	16444.63965	16098.39214	16980.08865	15860.32138	15129.60483	14534.47469	15870.65287	14425.29548	15152.17908	14310.9229
6.95_358.2582m/z	358.2581856	6.946883333	pos	(9Z)-3-hydroxydodecenoylcarnitine	LMFA07070024	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			39.5	10.6	M+H	C19H35NO5	-1.718932283	3634.381977	4036.330559	3820.164051	4044.506147	1771.558304	2649.787047	3345.123475	10480.52222	9917.008047	2512.942673	3795.752006	9676.361162	1342.641428	1746.614374	4795.102018	2570.643087	2931.577559	4137.183751	1351.076473
8.74_228.1599m/z	228.1599198	8.7395	neg	N-Decanoylglycine	HMDB0013267	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.5	3.93	M-H	C12H23NO3	-2.606660354	5748.631107	5605.137274	5589.132223	3437.535129	5406.153464	4102.478921	3515.671126	6798.969951	8764.167022	3530.506724	7505.767131	6464.845974	4948.911056	4037.292969	4980.843613	4640.287592	3959.471654	3905.28151	4910.597687
8.79_252.1602m/z	252.1602327	8.786466667	neg	N-Desmethyl tapentadol	HMDB0060611	Benzenoids	Benzene and substituted derivatives	Phenylpropanes			39.5	3.58	M+FA-H	C13H21NO	-1.373355912	1462.381834	1478.192233	1555.6166	1562.821131	1453.061085	2321.011778	1178.101131	611.5455473	900.3733315	1800.249155	1497.758512	1058.218685	1464.337929	1689.985931	1839.54321	1187.563398	1814.27196	1693.273099	1460.133343
9.34_311.2228m/z	311.2228131	9.342166667	neg	4-Hydroxynonenal	HMDB0004362	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		39.5	0	2M-H	C9H16O2	0.096038298	2159.719763	3178.710784	2566.595922	1277.586188	3078.535681	1716.800071	1211.517499	1834.950733	2677.954841	1622.625018	1212.690097	2198.949383	1787.168006	1226.544948	1611.1424	1352.543878	1184.021979	1082.582544	1581.35979
9.62_312.1126m/z	312.1125915	9.622833333	pos	Sulfacytine	HMDB0015412	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides			39.5	4.98	M+NH4	C12H14N4O3S	0.355826024	2495.406575	3312.825924	2952.049732	2524.41572	2722.603247	1685.696241	3804.315671	3361.70606	3463.12475	3507.541608	3305.788746	4417.63803	3573.754506	5068.099882	5784.792513	4116.369814	2332.458536	2673.895275	4780.079837
9.79_215.1645m/z	215.1644896	9.79065	neg	10-Undecen-1-ol	HMDB0031016	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		39.5	3.36	M+FA-H	C11H22O	-4.575463252	7702.1966	7985.378138	7884.474772	8868.308731	15222.89693	8963.648195	5973.19409	8180.046698	9072.07707	7693.050828	8578.736189	8267.870395	9819.364743	7721.555067	9352.239238	8248.650094	5982.359202	6804.566932	10698.95089
9.79_250.1182m/z	250.1181895	9.7934	pos	L-Agaritine	HMDB0033758	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.5	5.97	M+H-H2O	C12H17N3O4	-1.60334257	7108.697439	8659.065644	8580.49554	8578.570347	7654.549027	7689.793885	7711.111454	7713.419622	6999.4875	7323.264678	7702.713454	8593.672822	8360.076527	8749.68069	9725.288781	10479.73086	8833.774673	8956.645768	8518.944342
0.20_191.1792m/z	191.1791883	0.195533333	pos	cis-Caryophyllene	44280	Unclassified	Unclassified	Unclassified			39.4	0	M+H	C14H22	-1.256026527	1506.858837	1787.824389	2103.726234	1745.109597	1895.388426	2029.983836	2205.059971	1969.037311	1890.126111	1915.982588	1659.434976	1888.919719	1847.101439	1788.468422	1920.826227	2009.044207	2093.982052	2278.996173	2047.100298
0.46_194.0812m/z	194.0812107	0.457466667	neg	N-(3-oxo-hexanoyl)-homoserine lactone	LMFA08030003	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides		C11839	39.4	5.94	M-H2O-H	C10H15NO4	-4.956287545	12984.96113	14116.22104	14153.6502	13933.64097	14632.52275	13311.58541	13853.9507	13549.07241	13781.58387	14744.27843	13545.27756	12465.86364	12510.05707	12852.28515	13508.31399	13388.25897	12923.8284	14132.59482	12966.58564
0.62_203.0560m/z	203.0560155	0.623133333	neg	3-methyl pyruvic acid	481	Organic acids and derivatives	Keto acids and derivatives	Short-chain keto acids and derivatives	**	C00109	39.4	0	2M-H	C4H6O3	-0.471157116	694.81878	922.7822331	677.3586273	985.5139085	976.4904151	765.8738314	834.6025373	663.2126866	339.480259	881.0161956	639.518216	1171.676877	788.7542234	720.0733928	810.1024799	721.1075544	879.6802634	378.5636929	787.1529623
0.63_162.1004n	163.1076295	0.62635	pos	5-Hydroxylysine	HMDB0000450	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C16741	39.4	0	"M+H, M+Na"	C6H14N2O3	-0.550354567	76793.32544	76749.16342	73758.94203	93124.49544	53652.24185	60611.95297	69611.62085	45322.67042	55020.32861	55855.76192	72082.84879	101872.1103	95638.80546	86325.30209	90477.61118	85619.22152	79531.14441	98334.13677	89334.19426
0.66_238.0231m/z	238.0231338	0.658766667	neg	Phosphocreatinine	HMDB0041624	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.4	0.289	M+FA-H	C4H8N3O4P	-1.613407773	21695.96839	21319.30921	21427.28879	22299.87229	21307.15617	22318.00024	17531.59936	25318.5172	25933.18022	22085.09249	15337.16782	30120.98048	21292.76624	21627.56952	17450.01864	19395.02984	19793.57861	18412.62535	30406.21838
0.71_277.0327m/z	277.0327216	0.712816667	neg	D-Ribitol 5-phosphate	63137	Unclassified	Unclassified	Unclassified			39.4	0	M+FA-H	C5H13O8P	-1.22964664	256308.9434	242181.9907	235152.4765	280234.3762	217852.6048	209054.1295	225551.8862	290621.989	285459.7586	237150.4462	248044.2393	272685.5859	221363.1339	274384.4523	228713.1547	278389.7942	234373.8928	282478.5735	265244.0673
0.71_298.0586m/z	298.0586453	0.712233333	pos	Lenalidomide	HMDB0014623	Organoheterocyclic compounds	Isoindoles and derivatives	Isoindolines			39.4	4.7	M+K	C13H13N3O3	-0.787434923	78336.00528	90064.13169	87741.40002	55937.00505	94965.06072	211323.464	89114.33022	48568.13235	80311.50927	216040.8314	83879.67991	22145.43533	115649.3931	89613.68159	44727.02112	75727.62582	56502.88137	20567.5569	23163.16484
0.75_121.0720m/z	121.071963	0.7465	pos	Biuret	66430	Unclassified	Unclassified	Unclassified			39.4	0	M+NH4	C2H5N3O2	-0.378368353	72041.66697	83362.53199	85485.3055	87149.55946	66997.6979	130902.8106	86245.91199	105230.4483	97593.40026	117603.7989	39924.51331	76155.31992	115572.6673	78108.80979	41026.9447	51581.73717	98702.88074	67793.58281	67981.63217
0.78_118.0088n	119.0161068	0.781033333	pos	Dihydro-4-mercapto-3(2H)-furanone	HMDB0039786	Organoheterocyclic compounds	Dihydrofurans	Furanones			39.4	0.536	"M+H, M+NH4"	C4H6O2S	-0.169883573	13563.26294	14110.68097	13252.82477	10704.40677	10846.64963	14208.1096	13187.489	12664.41043	12944.7792	15817.48949	12542.02281	16791.57985	15789.15619	14284.71672	14864.98879	13143.51338	13133.83215	13159.82664	15447.56653
0.99_123.0806m/z	123.0805623	0.9872	pos	4-Methylbenzyl alcohol	66525	Benzenoids	Benzene and substituted derivatives	Benzyl alcohols	**	C06757	39.4	0	M+H	C8H10O	0.990245919	4031.190813	4194.233988	3849.700387	4125.716841	3715.568636	3773.084579	4085.005423	4353.933053	4525.778176	4178.525132	4395.095616	3548.841314	4070.089699	3870.106453	3825.054993	3626.911434	3873.46264	3407.058982	3323.777806
1.06_266.0878m/z	266.0878269	1.062216667	pos	5'-Dehydroadenosine	69075	Unclassified	Unclassified	Unclassified			39.4	3.69	M+H	C10H11N5O4	-2.087744756	33605.11953	44059.5441	36836.9527	29189.89315	41118.03301	37176.73479	26993.58059	38201.94957	38460.32486	36689.51233	27934.91974	64575.7789	46898.02919	33771.19647	36896.04664	40887.60153	32795.92757	37077.47254	23898.98288
1.12_245.0776m/z	245.0776025	1.118516667	neg	"Barbituric acid, 5-ethyl-5-(2-hydroxyethyl)-"	493	Unclassified	Unclassified	Unclassified			39.4	0	M+FA-H	C8H12N2O4	-1.535458992	1056.765918	1254.88381	1129.363424	1034.912926	1027.741234	566.1373489	1012.426023	6696.046982	4670.304031	628.9033846	678.9952782	2849.885579	484.1279259	900.6130862	866.0464565	427.6681684	657.468132	338.8176775	748.7007655
1.28_290.0629m/z	290.0628748	1.278416667	neg	5-azauridine	686	Unclassified	Unclassified	Unclassified			39.4	0	M+FA-H	C8H11N3O6	-0.461594436	35198.28771	39242.78317	44663.7942	45360.70614	27709.95921	30119.89201	37447.77811	41075.15954	55731.87803	25362.61503	39374.39844	46276.37549	40011.57763	42521.31123	34319.98506	29555.94811	30792.51984	31849.66881	53856.81936
1.30_472.0760m/z	472.0760136	1.297066667	neg	"1-(s-glutathionyl)-2,4-dinitrobenzene"	HMDB0062528	Homogeneous metal compounds	Homogeneous lanthanide compounds	Unclassified		C11175	39.4	17	M-H	C16H19N5O10S	-4.170154394	8341.520929	8235.885033	6365.536717	7371.704636	6091.880529	6935.530218	7396.877422	8398.622939	5078.371778	5323.5042	7426.926628	8478.494703	8804.611479	8344.333064	6962.503923	7722.678694	7142.367386	11134.24108	7892.54999
1.40_215.1389m/z	215.1389037	1.396783333	pos	L-Metanephrine	HMDB0062493	Benzenoids	Phenols	Methoxyphenols	**	C05588	39.4	0	M+NH4	C10H15NO3	-0.584116461	9029.367355	10347.50075	8949.897013	4545.284693	16904.69533	8175.688042	9896.370532	2244.277521	3862.667174	15715.05278	9237.979012	2595.868655	14800.47141	18014.41017	13536.67165	9526.230681	11172.3622	5895.141024	10343.63876
1.61_169.0859m/z	169.0858841	1.613583333	pos	Ethyl 2-furanpropionate	88826	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.4	0	M+H	C9H12O3	-0.217343547	2667.810329	2450.014439	2462.958043	2517.718837	2377.07948	2181.127365	2493.772521	2407.920122	2653.520692	2379.918411	2669.147003	2542.539665	2559.691294	2745.8684	2549.644803	2452.797078	2613.817825	2698.645403	2448.975033
1.70_245.1140m/z	245.1139647	1.696866667	neg	Isoleucyl-Aspartate	HMDB0028903	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.4	3.29	M-H	C10H18N2O5	-1.343179896	349.7957671	389.4456155	347.5249662	665.8905118	110.5740122	138.2831009	496.120089	51.3971052	40.78179025	235.0362376	414.254728	203.9930602	1033.492736	1229.956993	167.0895214	192.9892523	340.5440501	158.1495233	1128.673842
1.71_289.0850m/z	289.0849682	1.70895	pos	gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide	HMDB0031870	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.4	9.66	M+H-H2O	C11H18N2O6S	-0.982770079	1990.102629	2137.707781	2041.481903	3556.490102	484.1586489	3215.060097	440.8365146	6488.431482	2077.196642	561.0081228	1347.444236	1822.008723	1289.562338	388.5423146	1554.590841	1387.962298	1610.836083	4790.282421	2266.483583
1.75_127.0391m/z	127.0390931	1.748516667	pos	3-Hexenedioic acid	HMDB0000393	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39.4	0	M+H-H2O	C6H8O4	0.850918053	1405.657547	1374.344395	1326.97508	1394.136047	1339.992865	1454.297279	1415.326232	1429.361192	1397.27596	1377.408362	1468.703711	1399.976431	1446.901957	1472.361725	1513.024728	1334.919	1025.971786	1429.539121	1266.626737
1.92_217.0470m/z	217.0470319	1.924716667	pos	trans-Ferulic acid	HMDB0000954	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	***	C01494	39.4	0	M+Na	C10H10O4	-0.502946797	39228.01627	38057.46811	38280.15092	39778.44208	38892.8669	39835.18718	40040.16889	37122.74732	37677.41968	43679.12795	40169.58431	39068.71041	39544.08451	40202.16338	41074.89033	41328.02937	41185.7596	38769.24491	35509.3953
10.04_340.2492m/z	340.2492159	10.04158333	neg	Linoleyl hydroxamic acid	LMFA08020211	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			39.4	0	M+FA-H	C18H33NO2	-0.393924886	451.4443699	513.7644313	426.1888275	141.3120892	1115.303275	140.2872924	1769.795349	1467.278093	274.8853617	1234.620295	329.672376	87.60822339	756.9189666	919.6016104	132.717866	0.000297236	165.0034818	329.9871731	347.0930011
10.36_476.2781m/z	476.2780514	10.36035	neg	PC(7:0/8:0)[U]	39975	Unclassified	Unclassified	Unclassified			39.4	0	M-H2O-H	C23H46NO8P	-0.427191682	130941.7689	123197.142	136593.0226	124736.0459	147265.0374	122319.6314	127122.2198	150610.2831	202181.0609	115631.8239	120438.1237	240119.0478	171985.8613	139720.3369	150671.9905	146203.2747	154234.4411	137032.3893	146437.1461
10.48_297.2662n	320.2554486	10.48398333	pos	"(4E,8E,d18:2) sphingosine"	LMSP01080010	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			39.4	3.63	"M+H-H2O, M+Na"	C18H35NO2	-1.957032276	54146.57157	42118.28626	52547.47397	31476.4595	73650.1904	24648.82387	90062.64676	80693.38825	29481.7748	70727.54247	32093.66651	24409.5685	41917.39313	74726.3835	25538.48285	23940.18388	25316.44938	31905.63123	41992.52279
10.53_271.2278m/z	271.2277551	10.5305	neg	9-pentadecen-1-ol	LMFA05000050	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			39.4	2.58	M+FA-H	C15H30O	-0.501099402	7566.494811	7242.249944	7420.10674	6161.828662	9431.015744	7946.574507	6871.155834	6392.808253	8485.909083	7358.744137	6934.27687	6343.282564	7882.364817	6830.103725	6756.21941	7105.050873	6521.871509	5593.792374	6856.674641
11.48_258.2786m/z	258.2786312	11.48118333	pos	11Z-hexadecen-1-ol	LMFA05000056	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			39.4	0.838	M+NH4	C16H32O	-2.122528071	5537.05447	5367.046226	5022.825279	6146.275664	4836.663157	4539.795461	4837.423284	5944.827598	5189.115919	5468.74001	5140.491993	5416.973905	4906.624424	4641.508695	5311.934633	5289.066287	5584.164092	5611.150111	5127.194026
11.49_616.2841m/z	616.2840928	11.48636667	neg	Kinetensin 4-7	HMDB0012986	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.4	3.76	M+FA-H	C26H37N9O6	-1.382880318	66329.12517	59750.93633	65200.29944	72583.05052	70606.11215	65610.39692	70354.34149	48109.31978	56391.22085	55461.65705	69061.22839	69791.45646	85436.91188	84442.93379	63635.02499	76523.03821	68270.83027	68012.00338	74678.21464
11.51_336.2543m/z	336.254256	11.50813333	neg	Linoleoyl glycine	43426	Unclassified	Unclassified	Unclassified			39.4	2.7	M-H	C20H35NO3	-0.478940621	3698.331394	4128.146715	3994.928807	4618.678563	3744.566983	5587.583622	2678.855573	4541.062068	3911.200697	3966.86992	3587.186254	5471.608085	4615.111242	4487.203635	5201.919027	5269.369752	5055.018395	6277.68496	5059.085726
11.59_834.5280m/z	834.5280337	11.59396667	neg	"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))"	HMDB0009686	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		39.4	12.2	M+FA-H	C45H76NO8P	-1.297208755	548410.4648	517714.0156	540501.7252	495256.4963	498811.7162	496048.6448	563835.0369	580673.2338	571335.7631	539280.2308	593053.5073	556584.0844	590423.859	650957.0258	664570.0202	460270.6426	560866.491	605778.6987	534031.7281
11.78_647.3202m/z	647.3202146	11.78411667	neg	Citalopram	HMDB0005038	Benzenoids	Benzene and substituted derivatives	Phenylbutylamines	**	C07572	39.4	0	2M-H	C20H21FN2O	-0.141884346	3449.12113	3429.709988	3851.73096	4050.568416	4340.830678	3837.069863	4488.239418	1348.527098	1295.699	2775.181103	4775.789617	3438.800959	7143.798438	8184.870739	4132.845138	4500.378182	4541.995511	4222.971247	6265.577969
12.35_463.2077m/z	463.2076721	12.35293333	neg	Na-Hexanoyl-Nb-inosityltryptophan	HMDB0039501	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.4	2.43	M-H	C23H32N2O8	-1.976277145	31997.64661	26719.4476	30996.43694	41153.75537	33382.34136	38078.69334	37022.00643	34355.85797	29343.35726	29497.73285	40335.34451	38501.41023	42137.2025	40537.55556	40416.69313	36107.23358	39160.24793	38823.02758	40303.80969
14.30_391.0008m/z	391.0007862	14.3008	neg	3-methyl-4-(sulfooxy)but-2-enoic acid	HMDB0128930	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39.4	5.07	2M-H	C5H8O6S	-0.651332828	203409.6035	209952.5129	205129.4471	209662.9544	202497.0094	205395.1063	210762.6958	210807.02	213941.9535	210675.945	218603.3819	199415.489	182837.3676	202069.1171	210713.3527	220890.8552	196668.5952	210888.7028	197413.2594
14.88_284.2942m/z	284.2942329	14.87866667	pos	Enigmol	LMSP01080058	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			39.4	2.86	M+H-H2O	C18H39NO2	-1.853294766	20816.40168	17622.027	22504.04871	23016.30702	21663.70668	23352.43663	22100.15604	21652.29329	21795.00996	23438.10696	23080.54084	20247.6613	21360.65327	20257.6501	20612.97014	23096.58857	21081.85094	23234.35907	21550.37576
15.64_129.0656m/z	129.065558	15.64291667	pos	Squamolone	86560	Organoheterocyclic compounds	Pyrrolidines	Pyrrolidine carboxylic acids and derivatives			39.4	6.02	M+H	C5H8N2O2	-2.310805894	21056.21525	22832.20879	22016.50643	21530.71664	18763.57635	18552.74149	19735.94383	18321.65472	17296.90045	19986.13724	20187.75811	19881.99108	20086.77947	19219.78562	20860.03335	21093.82971	18883.65397	19709.44591	18423.79425
15.64_159.0662m/z	159.0662065	15.63521667	neg	Pimelic acid	LMFA01170051	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C02656	39.4	0	M-H	C7H12O4	-0.474320673	1966.748048	3169.59567	3144.299059	5293.279185	4029.931722	3618.652993	3450.971464	3799.035938	3412.60035	3519.489312	3632.931292	1720.414239	1641.133309	1627.987751	1580.26406	1677.078118	1659.861361	1768.017411	1610.907136
15.68_177.0405m/z	177.0404987	15.67666667	neg	Methylsuccinic acid	HMDB0001844	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***		39.4	0	M+FA-H	C5H8O4	0.280561473	1709.743069	1754.878042	2045.962487	2915.911634	2387.87532	2018.249733	2041.082761	2213.422673	2017.456749	2169.075067	2232.0141	1724.973503	1654.36103	1633.978009	1418.316491	1560.915355	1525.180153	1810.160221	1534.334282
15.74_151.0975m/z	151.0975395	15.73598333	pos	"3-Methylpyrrolo[1,2-a]pyrazine"	HMDB0033172	Organoheterocyclic compounds	Pyrrolotriazines	Unclassified			39.4	8.11	M+NH4	C7H7N3	-2.128524106	48235.65463	53871.9256	51433.70173	54635.34499	40584.83355	45662.3247	46439.41871	40809.41695	46482.52191	47814.36202	45928.70412	46246.74949	48740.66844	47919.64513	52364.37591	56464.84097	48528.14374	46033.41018	46039.50126
15.76_251.0462m/z	251.04616	15.75651667	pos	Pinosylvin	LMPK13090001	Lipids and lipid-like molecules	Polyketides	Aromatic polyketides		C01745	39.4	10.5	M+K	C14H12O2	-3.431400241	16965.03003	14788.52629	14968.24315	16081.77001	17003.88547	15128.2021	16520.90214	17039.97695	18219.0016	16892.00609	17814.41836	15105.73651	14899.71755	13662.86947	14651.79674	15481.58729	15452.07171	14930.38676	15275.42031
15.99_363.3269m/z	363.3269092	15.99481667	neg	"3Z,6Z,9Z-Tricosatriene"	LMFA11000169	Lipids and lipid-like molecules	Fatty Acyls	Hydrocarbons			39.4	0	M+FA-H	C23H42	0.172714794	18054.00008	15522.08063	18439.55624	12165.63746	7997.241817	5709.000628	13487.99145	19920.54813	24270.76972	5854.510123	14087.23101	30869.88871	15945.99274	17596.79384	18653.71319	18623.98464	15305.25224	13096.5102	13606.41641
2.12_304.0786m/z	304.0785676	2.119316667	neg	MIZORIBINE	44352	"Nucleosides, nucleotides, and analogues"	Imidazole ribonucleosides and ribonucleotides	1-ribosyl-imidazolecarboxamides			39.4	0	M+FA-H	C9H13N3O6	-0.271795416	5678.201221	4903.086219	4659.877731	6241.610725	3005.893861	2690.061262	5035.023516	5222.336715	9628.359939	3198.029819	6598.943333	9873.172048	6577.983452	6500.813781	4978.068557	3933.825376	3078.843732	4338.453196	7361.887554
2.37_251.0782m/z	251.0781919	2.373166667	neg	1H-Imidazole-1-acetic acid	HMDB0029736	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.4	0	2M-H	C5H6N2O2	-1.533452415	1031.286748	948.3845739	972.6064644	852.9614011	1143.016065	1032.401348	1171.624949	818.4232661	1088.882724	1318.911881	1158.91956	926.3135811	1118.137556	1267.872823	886.8068352	765.6533707	853.3992494	674.9431696	1110.333438
2.61_181.1585m/z	181.1585351	2.606183333	pos	cis-5-dodecenoic acid	34891	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39.4	0	M+H-H2O	C12H22O2	-0.790226045	5798.709221	6608.377027	6642.061518	6685.193533	6136.44087	6260.663828	6804.330315	6550.547271	6489.695392	6569.323424	6583.305574	7062.410138	6010.216541	6526.105519	6835.390829	7198.220132	6743.683162	6653.941279	6315.167683
2.74_315.0635m/z	315.063474	2.743033333	pos	5-De-O-methyltoddanol	HMDB0041520	Phenylpropanoids and polyketides	Coumarins and derivatives	Hydroxycoumarins			39.4	5.46	M+K	C15H16O5	1.964131985	51957.69193	45831.7432	51636.84226	57567.2143	43858.60334	52156.74964	54361.50954	43106.55502	46926.72544	49778.48997	52686.73641	52610.89413	61046.36919	54214.88209	49640.06149	51749.91924	46201.89937	54711.48853	48720.40986
2.90_139.0389m/z	139.0389289	2.902133333	pos	"3,4-Dihydroxybenzaldehyde"	HMDB0059965	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	***	C16700	39.4	0	M+H	C7H6O3	-0.301108771	59875.50813	56310.13747	55398.91381	56097.78843	53054.06001	55497.72521	55578.86405	55254.30812	56608.66279	56690.2499	56444.28637	62703.54596	58068.17061	60480.27967	62713.06197	60448.42227	56408.69401	57913.43424	53164.34063
2.98_135.1168m/z	135.1167999	2.979516667	pos	p-Cymene	LMPR0102090014	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	**	C06575	39.4	0	M+H	C10H14	-0.20117284	55313.92151	43314.20016	46639.80946	45685.8831	45048.55752	47145.30668	46509.34093	45119.59882	46784.48106	46978.38347	52676.45721	49157.60495	43394.41693	42163.75508	46869.00781	46756.10564	44001.13412	44230.88231	41299.01758
3.64_479.9376m/z	479.9375825	3.640283333	neg	Perfluorooctane sulfonamide	HMDB0061740	Organohalogen compounds	Alkyl halides	Alkyl fluorides			39.4	10.7	M-H2O-H	C8H2F17NO2S	3.897226304	14294.77683	12618.86879	13256.84129	13649.93076	11380.0062	13510.63828	13454.09354	10812.73612	11888.15077	13044.7473	15466.74139	11304.51324	12507.89021	12354.58497	14890.72363	14612.8826	13843.12544	13707.4956	11718.278
3.83_243.0846m/z	243.0846232	3.829583333	neg	"1H-Imidazole-4-carboxamide, 5-[3-(hydroxymethyl)-3-methyl-1-triazenyl]-"	627	Unclassified	Unclassified	Unclassified			39.4	0	M+FA-H	C6H10N6O2	-0.521307432	1407.485412	1455.712863	1476.898101	1176.980246	1389.563002	2131.006943	1146.041801	2796.97021	2726.827337	2287.438614	945.5584939	1596.850562	1008.971676	935.5043067	1039.562669	646.6825892	1127.410788	1030.545236	1037.163527
3.89_317.2070m/z	317.2069726	3.890083333	pos	Diphthine	HMDB0060474	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.4	9.25	M+NH4	C13H23N4O4+	4.067439182	898.5671326	896.7303567	961.1819988	287.725857	467.8462739	3602.046788	360.1086237	65.96568993	0.000297236	3666.050253	440.698001	0.000297236	0.000297236	0.000297236	1374.424959	1181.065516	2133.663809	1259.279202	0.000297236
4.08_279.9895m/z	279.9895328	4.078183333	neg	2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate	3426	Unclassified	Unclassified	Unclassified			39.4	0	M-H2O-H	C6H11N3O7P2	0.504847136	9312.661367	9495.082684	8929.656374	7423.348265	14453.73827	13934.09643	7797.234348	15675.11032	9700.657991	12625.17728	6173.157825	12028.61554	9564.185337	7699.082448	10798.96101	5758.315976	9672.302165	5792.08147	6560.387057
4.33_321.1553m/z	321.1553412	4.330283333	neg	Butyl (S)-3-hydroxybutyrate glucoside	HMDB0031694	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		39.4	3.92	M-H	C14H26O8	-0.465973545	1313.572509	1204.34526	1406.801579	1141.685341	1336.414605	2795.250437	1245.8376	2400.831785	1570.484604	2265.682007	1302.339205	897.2403585	1084.716258	562.0704552	901.8457064	959.6016987	908.9913292	1015.226461	1222.878973
4.41_329.0895m/z	329.0894877	4.410033333	pos	Glutathione amide	73299	Unclassified	Unclassified	Unclassified			39.4	0	M+Na	C10H18N4O5S	1.556065947	4415.420153	4804.865358	4561.777959	4777.807136	5073.522205	4418.563263	3636.009315	5604.162924	5281.64817	5435.21199	4462.676725	2996.934518	4567.388666	4253.609767	5505.346592	4909.396493	4332.185585	4349.462064	2964.156845
4.66_273.1305m/z	273.1305245	4.656683333	pos	"7,8-Dihydroneopterin"	3386	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	**	C04874	39.4	0	M+NH4	C9H13N5O4	-0.21528632	3750.692031	5378.043669	3948.479789	3812.398163	5023.316508	4865.345556	6262.946234	6307.331259	4953.420599	4337.574888	6049.756713	5245.309184	5989.152007	6179.010375	3843.18654	5504.768843	3317.162578	3974.618649	7022.522481
4.68_263.0845m/z	263.08448	4.67675	pos	N-Despyridinyl rosiglitazone	HMDB0060842	Benzenoids	Phenol ethers	Unclassified			39.4	3.26	M+H-H2O	C13H16N2O3S	-1.410673184	5757.351301	6271.357456	6134.151122	7395.598646	5488.519359	5973.543769	4716.153627	3340.428611	3429.558697	5673.242398	5589.763309	4362.329905	6171.079793	5565.768572	6019.991015	7002.161455	7085.097961	7842.334593	7370.277003
4.76_158.1173m/z	158.1173477	4.759316667	pos	Lentiginosine	68160	Unclassified	Unclassified	Unclassified			39.4	0	M+H	C8H15NO2	-1.320390812	4543.194578	3428.049136	3479.909133	3975.635291	3167.548919	4459.432997	2784.813295	3407.151495	2873.124893	3587.780385	2680.546517	4050.882787	3370.224019	3719.591248	4393.192334	3243.956161	3976.632224	4078.226537	5259.027982
4.78_316.2114m/z	316.2114457	4.779633333	pos	Tetranor-PGE1	LMFA03010211	Unclassified	Unclassified	Unclassified			39.4	2.59	M+NH4	C16H26O5	-1.354119115	12929.65749	12935.41471	12150.28701	17889.939	12863.88448	17603.79445	14716.99275	10331.4791	9603.092466	15275.55695	11945.46098	17573.63261	12569.73811	8396.852157	7866.466457	11633.86659	7974.102059	11402.13517	13395.85753
4.94_287.1461m/z	287.1460609	4.9422	pos	Asparaginyl-Histidine	HMDB0028733	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.4	0.896	M+NH4	C10H15N5O4	-0.626603781	4462.714972	4742.110028	4559.598558	3094.505059	6160.775808	6947.571317	7659.827646	6896.06206	6095.727884	4854.244726	7620.328328	6705.257402	6315.1438	6910.88097	4665.311299	5330.756296	4556.237999	3741.348195	7634.277659
5.00_186.1486m/z	186.148585	5.003183333	pos	"Ethyl (4Z)-4,7-octadienoate"	87450	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.4	0	M+NH4	C10H16O2	-1.607957021	1018.004587	865.0921585	891.3506244	922.7574163	824.1140316	1174.258347	891.128719	1120.610548	2092.082157	1041.301087	912.0318545	1001.845596	882.3533675	796.4213224	783.7324762	727.5803883	861.7403116	814.3657249	752.9605795
5.02_265.0692m/z	265.0691929	5.017966667	neg	Trifluoromethylphenylpropanediol	1958	Unclassified	Unclassified	Unclassified			39.4	0	M+FA-H	C10H11F3O2	-0.564446062	1351.558273	1217.9264	1368.307059	1899.759011	729.9448923	1931.865319	1769.087332	102.4223785	409.5013829	1524.982938	2347.27424	1243.498821	1010.422961	774.0603938	2013.778561	1819.36805	1814.595225	2101.815268	700.1017249
5.12_429.1950m/z	429.1949925	5.1249	neg	Ptilosteroid B	LMST02030213	Lipids and lipid-like molecules	Sterol Lipids	Steroids			39.4	5.36	M-H	C21H34O7S	-0.593997426	6841.719062	7992.632861	7482.557539	13128.31647	3657.68119	6653.541997	6682.391631	2752.592099	2084.053373	7489.252256	16313.38551	4465.871851	4641.709808	11633.23386	11874.97266	11833.48515	12349.80944	8640.56623	6790.243441
5.24_679.3538m/z	679.3538099	5.239933333	pos	OKOHA-PS	LMGP20040025	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			39.4	17.5	M+NH4	C31H52NO12P	-4.125591124	4235.318085	4451.33483	4348.181702	3098.696532	7861.914473	4537.02132	8937.616116	5417.262227	3776.325562	9020.864166	3945.691237	2171.982826	5392.695182	3321.602019	5722.067733	2121.218693	4942.394074	2275.580271	2577.435156
6.55_498.2896m/z	498.2895744	6.550633333	neg	Taurochenodeoxycholic acid	LMST05040005	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	**	C05465	39.4	6.38	M-H	C26H45NO6S	0.18352756	22988.46464	27076.52822	24340.84885	10727.51598	12422.99477	18401.12219	11683.61351	4355.244926	16337.51912	16795.151	12548.64484	5394.520911	8869.680076	9815.951384	138011.4933	13805.37732	20503.83103	40859.64058	8656.081368
6.79_244.1550m/z	244.1550337	6.792666667	neg	11-nitro-1-undecene	HMDB0062669	"Organic 1,3-dipolar compounds"	"Allyl-type 1,3-dipolar organic compounds"	Organic nitro compounds			39.4	0.962	M+FA-H	C11H21NO2	-1.998725126	2274.627823	2292.1855	2371.877369	1542.61371	3961.157549	2733.917074	1271.718346	2575.022706	2915.002738	1934.738554	2629.407755	1334.83223	3194.557285	3080.155383	2286.51555	2467.517063	2744.249149	1902.683834	2655.818216
7.02_397.2593m/z	397.2593028	7.022683333	neg	Ceriporic acid C	LMFA01170127	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.4	4.24	M+FA-H	C21H36O4	-0.737347082	2482.144741	2085.292113	1939.381279	2260.030741	283.1358448	648.2710864	736.773855	7222.62086	2516.467114	245.7136071	568.3418865	6395.54993	282.9123879	1858.445522	1362.444359	1392.479662	1793.209684	1975.342283	1125.384604
7.30_508.1094m/z	508.1094087	7.303466667	neg	Carboxyltolmetin Glucuronide	2875	Unclassified	Unclassified	Unclassified			39.4	0	M+FA-H	C21H21NO11	-0.549923064	15438.64622	10533.83476	12170.70758	13621.84696	12304.15274	11535.1597	11458.4085	12633.03319	13869.17604	12127.6068	11393.65264	14535.51896	14580.70258	17065.3743	14099.45131	13534.73275	12949.69953	11296.62941	15303.79369
7.91_190.0496m/z	190.0495983	7.909816667	pos	"1-Nitronaphthalene-5,6-oxide"	HMDB0060331	Benzenoids	Naphthalenes	Nitronaphthalenes	**	C14800	39.4	0	M+H	C10H7NO3	-1.43475373	3819.273312	3564.453305	3599.356729	3664.585034	3622.328385	3639.339312	3556.347335	3875.670873	3280.31416	3819.816115	3900.238325	3758.793417	3379.512868	3658.975605	4181.857794	3639.479303	4027.514229	3813.082613	3542.614498
9.67_311.2227m/z	311.2227486	9.665633333	neg	"Methyl 2E,4Z-hexadecadienoate"	HMDB0031050	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.4	0	M+FA-H	C17H30O2	-0.12941084	1251.505957	2136.673964	1497.799629	759.8514766	1454.371846	749.0995708	668.6413507	720.6940706	852.1149399	641.7485736	726.2311389	858.4503316	847.3217288	880.4255194	640.6690531	839.1662058	591.2404801	584.7676873	584.6553769
9.69_378.2772n	377.2699395	9.687416667	neg	Norchenodeoxycholic acid	LMST04060018	Lipids and lipid-like molecules	Sterol Lipids	Bile acids and derivatives			39.4	2.46	"M-H, M+FA-H"	C23H38O4	0.5451716	20428.42311	23039.07554	19690.4597	25154.64611	13364.59365	23527.8917	35515.21947	1332.082715	1715.17641	44907.33917	37295.40061	1651.563024	8777.713852	13517.75044	49561.85196	45014.1051	33041.7777	45238.5825	9787.902791
9.83_283.1914m/z	283.1913797	9.832916667	neg	4-ene-Valproic acid	HMDB0013897	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C16648	39.4	0	2M-H	C8H14O2	-0.36320799	1285.212344	1309.59437	1330.848781	1043.276611	2170.896147	1599.237875	1528.63104	1752.806891	2126.4708	1433.025645	1284.477031	1096.422691	1278.95481	842.1802123	1336.255899	1204.487973	1186.150417	1148.123693	1201.779744
9.90_317.1394m/z	317.1394071	9.896683333	neg	"2,2-Dimethyl-8-prenylchromene 6-carboxylic acid"	67343	Unclassified	Unclassified	Unclassified			39.4	0	M+FA-H	C17H20O3	-0.148099611	491.6437004	578.4950653	510.847023	341.6609851	731.6167548	472.7672086	694.4307614	906.1897616	1076.408476	829.0926447	729.7072174	490.8896785	379.5508366	1115.073963	518.9164899	605.414712	415.4073805	348.1301471	471.1686944
0.20_145.1010m/z	145.1010209	0.195533333	pos	PPA	63086	Organic acids and derivatives	Organic phosphonic acids and derivatives	Organic phosphonic acids	**	C05682	39.3	0	M+H-H2O	C11H14O	-0.961886294	1917.269086	1913.870038	1808.949479	2004.535472	1918.351681	2190.405177	2151.356841	2395.882864	2246.590874	2178.731416	2088.440425	1975.441009	1985.798833	2095.921973	2165.127304	2053.882109	1675.888629	2165.471688	2015.451546
0.44_145.1221m/z	145.1221173	0.439416667	pos	Caprylic acid	112	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C06423	39.3	0	M+H	C8H16O2	-1.310652535	112011.752	102228.6374	104814.9533	105323.0572	101625.5506	113490.2373	108260.8207	110669.8808	103884.674	110185.8445	108848.1782	112882.7615	106506.6839	102427.8195	107454.8964	106704.5649	102279.8388	111543.6609	98146.05336
0.52_288.2305m/z	288.2304571	0.52135	neg	N5-Hexanoylspermidine	HMDB0029568	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	*		39.3	3.54	M+FA-H	C13H29N3O	4.899295205	15301.32369	15782.21508	15681.49643	15066.9658	15780.4618	14536.74131	15527.90207	15375.03851	14909.67267	16814.39258	15327.19065	15197.97741	16045.01249	15949.13648	15966.05014	15187.33419	14846.95792	15096.04983	15107.77778
0.63_161.1284m/z	161.128365	0.62635	pos	1-Aminocyclohexanecarboxylic acid	6589	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.3	0	M+NH4	C7H13NO2	-0.623361308	20433.40626	20914.68915	19471.13911	19674.43494	19592.87306	25849.6542	17501.99903	16920.23784	14271.57935	23556.70066	17340.77612	20081.64542	24322.72188	19829.34983	20415.59693	21836.52304	24348.02764	24082.32255	20353.2674
0.68_203.0524m/z	203.0524392	0.677733333	pos	myo-Inositol	HMDB0000211	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	**	C00137	39.3	0	M+Na	C6H12O6	-0.942005393	194357.1318	200664.1543	220226.9494	244330.0047	200402.7749	185117.2476	211588.3011	186086.6048	156635.4175	197284.1966	235896.336	220044.7512	227701.1834	208606.0059	312006.2682	271844.2568	240490.3107	231890.6831	222247.6888
0.70_142.0263m/z	142.026288	0.695266667	pos	Phosphonoacetaldehyde	63575	Unclassified	Unclassified	Unclassified			39.3	0	M+NH4	C2H5O4P	-0.667647775	63293.76898	73015.00871	63176.48753	61041.08227	60310.7277	53078.31942	81208.35765	90280.02012	76539.02505	58664.12807	76254.87033	93545.14053	63885.46784	67288.20737	54414.55028	64448.55493	64898.53168	50712.18866	60448.05083
0.73_129.0659m/z	129.0658532	0.729216667	pos	Pyrrole-2-carboxylic acid	3787	Organoheterocyclic compounds	Pyrroles	Pyrrole carboxylic acids and derivatives	**	C05942	39.3	0	M+NH4	C5H5NO2	-0.006563876	21060.13387	21122.72828	22310.81215	10970.26842	55415.39215	76614.28148	7812.612519	15271.98844	10358.1465	67679.63237	9451.369727	6287.391031	14118.5575	12120.91004	9603.130533	13790.57461	15439.40208	10662.92889	14662.88087
0.93_388.0196m/z	388.0196319	0.929766667	pos	1-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate	3492	Unclassified	Unclassified	Unclassified			39.3	0	M+K	C12H16NO9P	0.590398206	5468.593679	5533.82348	6414.929032	4530.189106	5585.062784	4645.025481	5429.715767	7136.623001	9682.334778	4372.470806	6179.661886	7210.033412	5614.703648	5807.468787	4867.732552	4008.073733	4381.418956	4783.643003	5098.661002
0.99_209.1535m/z	209.1535289	0.9872	pos	3-Hydroxy-beta-ionone	91835	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		39.3	10.6	M+H	C13H20O2	-0.3721186	10237.26868	9417.927482	8699.576477	9425.359614	8580.560862	8839.521606	9106.049033	8932.167731	9506.786568	10312.72554	9564.378274	8866.571735	8975.071332	8306.722097	8762.729232	8032.423804	9322.298847	8597.94703	8045.581032
1.04_385.0665m/z	385.0665097	1.043083333	neg	L-Dopachrome	HMDB0001430	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C01693	39.3	1.44	2M-H	C9H7NO4	-3.183965007	3921.27522	4166.175601	2697.31628	4598.655913	3673.710195	4685.943042	2492.707265	1796.989086	2360.064617	3527.972171	6731.717676	3054.771325	1935.524108	5020.537451	7882.959267	6290.971716	4204.921427	3842.160314	3057.034315
1.06_136.0370n	135.0297602	1.063433333	neg	L-threonic Acid	HMDB0062620	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01620	39.3	1.55	"M-H, M+FA-H"	C4H8O5	-1.005274125	724062.7124	746810.1854	623066.4664	689162.7305	664160.5437	723612.6949	801054.7382	756281.7318	771224.7096	692608.0487	754116.3956	644922.7756	731904.3314	656249.9713	731749.1895	864511.7991	713829.8897	806953.9749	636832.3347
1.14_273.9678n	272.9605396	1.13945	neg	Ribose-1-arsenate	HMDB0012285	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	*		39.3	1.83	"M-H, M+FA-H"	C5H11AsO8	3.019465718	16233.21527	16335.29847	15598.45201	18319.0426	13575.13955	18152.62301	15853.69828	18094.22563	17632.82247	16599.81316	17504.15061	15073.12648	13613.77117	14041.36812	14506.80012	16256.32757	15358.80084	16718.96073	15577.08893
1.14_304.1391m/z	304.1390864	1.13905	pos	"3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside"	HMDB0038964	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		39.3	4.16	M+NH4	C13H18O7	0.027939876	2838.263976	2432.024634	1714.41568	2442.108776	2814.549069	5328.412967	1166.567494	5709.941213	1933.676617	3440.123211	1163.518601	1251.007725	1071.895096	1055.988604	1527.682765	1068.963392	1789.764751	991.282538	1345.309797
1.18_329.1585n	374.1567199	1.1797	neg	Valclavam	66481	Unclassified	Unclassified	Unclassified			39.3	0	"M+FA-H, 2M-H"	C14H23N3O6	-0.511685238	5006.310913	3618.841648	4144.928484	4566.636969	5998.258088	4176.073854	4831.372125	3853.222299	4008.747327	3826.662801	5658.889845	4927.736029	4929.972728	3406.878094	5190.19009	4240.025741	4852.571078	5225.180009	8742.848076
1.18_492.1736m/z	492.1736314	1.179566667	pos	Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin	HMDB0038329	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			39.3	11.9	M+H-H2O	C20H31NO14	4.841047158	10989.69231	12407.55098	9822.293762	12200.43507	8391.067806	7739.286301	8801.623416	6233.334333	6186.670685	9667.053797	7981.57241	9130.175616	11136.12287	7807.855305	13061.692	10252.97993	10421.81706	7699.40895	15123.82468
1.18_876.2677m/z	876.2676954	1.179566667	pos	Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside]	HMDB0037052	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids			39.3	12.5	M+NH4	C39H42N2O20	0.906663066	9117.650132	9374.282192	12147.17057	6687.129895	6372.807364	7621.643931	10318.55479	4246.893721	8239.949885	14326.70076	12098.90236	19185.13637	11919.22224	5307.990851	11497.87187	2439.8371	9947.76453	10215.31766	11951.26891
1.30_785.3308m/z	785.3307719	1.297066667	neg	Erlotinib	HMDB0014671	Organoheterocyclic compounds	Diazanaphthalenes	Benzodiazines			39.3	0	2M-H	C22H23N3O4	0.42717768	14710.71337	16339.56553	16449.04814	18600.5483	16908.17278	11462.57421	20451.04089	11352.58834	13685.15219	13300.79731	16514.99442	13671.23029	13865.50743	15493.23184	16022.94434	12983.22807	15275.68327	19699.8613	12610.92562
1.40_246.1213n	491.2360786	1.3988	neg	"2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose"	73461	Unclassified	Unclassified	Unclassified			39.3	0	"M-H, 2M-H"	C10H18N2O5	-1.009508582	1720.208893	1853.056288	1735.800748	2363.270257	2249.254962	2182.26303	1700.957568	1746.843252	1344.634093	2093.465607	1847.531431	2155.354744	1510.32847	1737.534982	1837.537822	2123.378481	1994.915787	2114.21868	2583.54456
1.51_245.0783m/z	245.0783115	1.513233333	pos	Valeroyl Salicylate	43594	Unclassified	Unclassified	Unclassified			39.3	0	M+Na	C12H14O4	-0.531585777	5445.01345	4941.981634	4954.177435	5262.924209	5243.532851	5362.880374	5089.199387	4909.450598	5596.365549	4785.197177	5357.474286	4659.171148	4917.077811	4798.138937	4707.620067	5911.25674	4815.907018	4973.812423	4132.170572
1.57_187.1327m/z	187.1326515	1.572783333	pos	"(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol"	HMDB0041545	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.3	8.7	M+H	C10H18O3	-1.178601265	4120.140642	3611.885318	4104.357629	3803.822273	3864.679893	3894.985235	4043.066673	4437.879113	4529.140343	4047.357317	4294.980198	3996.419194	3740.940406	4058.751546	4008.50665	3851.978159	4019.642448	4308.536519	3873.312192
1.61_197.1259m/z	197.1259078	1.613583333	pos	"Ne,Ne dimethyllysine"	HMDB0013287	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C05545  	39.3	0	M+Na	C8H18N2O2	-0.808243045	1142.855679	1449.563925	1345.048872	1560.504218	1249.031404	962.5342479	1274.149018	537.1155848	607.0823269	1665.60754	1084.592877	968.9587088	1495.814744	1652.172904	1171.774131	1712.307926	1490.547532	1309.610801	1393.643036
1.61_293.0548m/z	293.0547693	1.611566667	neg	Pyridoxamine 5'-phosphate	HMDB0001555	Organoheterocyclic compounds	Pyridines and derivatives	Pyridoxamines	**	C00647	39.3	0	M+FA-H	C8H13N2O5P	1.444339531	589.0897864	677.9285328	763.2523337	806.201887	646.7765718	643.8253197	733.4813557	749.0067881	1216.091631	538.7454002	766.0456024	1269.308555	594.3537493	684.7573543	639.889878	740.4199823	533.8834427	696.5857924	911.7809006
1.71_289.1754m/z	289.175402	1.70895	pos	2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine	HMDB0011654	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C04692	39.3	3.62	M+NH4	C11H19N4O4+	3.490192529	637.256092	786.1071651	901.4144745	858.328031	957.7731948	3385.113856	412.2669679	747.3712543	273.1933207	2620.797425	697.8861152	1356.206045	121.9911147	0.000297236	461.8673261	561.2092796	320.0371321	260.3000797	158.7525039
1.93_279.0984m/z	279.0984219	1.929083333	neg	5-Methoxy-DL-tryptophan	103475	Unclassified	Unclassified	Unclassified			39.3	0	M+FA-H	C12H14N2O3	-0.953947425	2556.972172	2374.956984	2520.914087	1681.884777	3441.229292	2227.33753	3934.75741	1276.857108	1262.785292	3267.825485	2869.162179	1049.934871	3084.690365	3536.877431	2914.72766	2718.832252	2704.195019	1803.30525	2912.052094
10.19_335.2227m/z	335.2227198	10.19105	neg	"2,4-Hexadienyl butyrate"	88353	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.3	0	2M-H	C10H16O2	-0.188123239	3737.949257	6429.498255	4857.593455	1741.590488	6023.302297	1849.60414	2382.753273	1917.647437	1220.54383	1583.479974	1851.488721	3914.078987	1493.529632	1373.749268	1616.167284	2744.541725	1753.481357	2360.182366	2272.923758
10.40_277.1918m/z	277.1918189	10.40193333	neg	"2,4-Dimethyl-5-propyloxazole"	92674	Organoheterocyclic compounds	Azoles	Oxazoles	*		39.3	0	2M-H	C8H13NO	-1.195944875	1972.753415	2098.504962	1681.184612	1908.734828	1824.637266	1868.506483	2081.322338	2309.095465	1926.879832	2189.465808	1990.228046	1820.65249	1655.702638	1992.417307	1995.275001	2169.291378	2150.766394	2315.435737	1843.29424
10.94_311.1711m/z	311.1710864	10.94183333	pos	"1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid"	1674	Unclassified	Unclassified	Unclassified			39.3	0	M+NH4	C14H19N3O4	-1.006989647	1800.246914	1769.59411	2358.052777	2220.052965	1722.7007	1993.657209	2237.257349	1081.139147	1168.132103	1364.271961	1414.720155	1161.281768	1547.040745	1811.868537	1826.242141	1528.957914	1472.922166	1766.841362	1471.540438
12.12_879.5973n	878.591127	12.12256667	neg	"PE(DiMe(11,3)/DiMe(13,5))"	HMDB0061473	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		39.3	10.1	"M-H2O-H, M-H"	C49H86NO10P	-1.861764176	1451582.169	1212512.516	1244139.159	1357855.564	1320553.662	1356893.888	1374925.521	1285732.047	1285963.599	1316137.58	1396394.565	1014003.278	1109946.266	1193155.599	995421.4504	1199581.033	830592.6279	1327547.236	1203356.597
12.44_762.5077m/z	762.5076616	12.43801667	neg	"PE-NMe(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	HMDB0113036	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			39.3	8.22	M-H	C43H74NO8P	-0.349656984	965421.867	703308.0959	822327.8441	894659.532	918371.4393	738754.3266	1051118.687	1005646.756	1171291.885	974206.3724	734023.9464	78343.83533	764948.6692	845080.827	784359.7558	1051534.564	930519.5359	869886.7757	832752.4374
13.27_398.2332m/z	398.2331945	13.27386667	neg	Levomethadyl Acetate	HMDB0015358	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes	**	C08012	39.3	6.22	M+FA-H	C23H31NO2	-1.380519896	2304.221306	2917.371013	1907.517896	2655.384257	2575.374067	2782.093268	3112.918242	2645.453091	3067.003043	2442.896823	3320.402854	2650.754051	2733.503393	2998.792536	2551.947793	3375.470159	2974.943196	2439.290158	2373.7973
13.60_100.1124m/z	100.112355	13.59963333	pos	Cyclohexylamine	HMDB0031404	Organic nitrogen compounds	Organonitrogen compounds	Cyclohexylamines		C00571	39.3	0	M+H	C6H13N	2.816573898	1384.770603	842.3438769	1196.410679	1170.453696	1294.821546	1135.705271	1177.515627	1123.564825	895.4344847	1082.307015	1394.51904	1183.70659	1468.432603	1365.158245	1098.600451	1353.456328	1192.732466	1395.198768	1103.978348
13.98_441.2025m/z	441.2025258	13.97741667	neg	(3-Phenylpropionyl)glycine methyl ester	6387	Unclassified	Unclassified	Unclassified			39.3	0	2M-H	C12H15NO3	-1.321714763	3412.209965	3381.335786	3111.772446	3335.836175	3838.424687	3351.594167	3457.182379	4345.353332	2955.822526	3210.823325	4129.269957	3158.979076	3307.229664	3471.689961	3341.277278	4541.801134	2580.576632	4327.412069	3028.567652
14.02_100.1123m/z	100.1123412	14.02055	pos	2-Diethylaminoethanol	HMDB0033971	Organic nitrogen compounds	Organonitrogen compounds	Amines			39.3	0	M+H-H2O	C6H15NO	2.265750198	3592.735556	2955.130952	3610.969533	3820.125438	3498.638488	3415.331721	3593.850993	3465.982749	3486.970071	3435.800683	3824.307632	2864.446904	3349.511156	3981.045645	3669.778723	4180.073591	3714.327802	3775.123512	2785.555177
15.87_195.1376m/z	195.1376469	15.87186667	pos	Neocnidilide	HMDB0034450	Organoheterocyclic compounds	Isobenzofurans	Unclassified	***	C17002	39.3	0	M+H	C12H18O2	-1.593738678	2936.384648	3394.837043	2926.864788	3228.967016	2720.315779	2823.870808	2914.81393	2780.369732	2995.548286	3200.571203	2903.738313	3392.126107	3037.580809	2986.767055	2940.95814	3227.554892	2696.032012	2624.48668	3320.737148
2.97_277.1192m/z	277.1191518	2.966683333	neg	Gabaculine	69310	Unclassified	Unclassified	Unclassified			39.3	0	2M-H	C7H9NO2	-0.822937068	2018.492908	1844.053518	1852.555976	2196.365215	1989.368561	2195.806045	2430.556685	2019.858706	1889.036852	2226.40562	2480.056716	1930.201742	1736.897229	1708.481569	1711.66534	1851.893374	2198.35549	1832.93504	2392.15984
3.22_115.1118m/z	115.1118296	3.216133333	pos	heptan-2-one	LMFA12000004	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*	C08380	39.3	0	M+H	C7H14O	0.772238313	13027.83315	10729.72874	12165.20176	12790.27442	11767.45883	12318.31776	12523.93284	12584.331	13405.79539	12593.88789	12538.92859	12573.67348	11376.03587	11086.77057	12866.01266	12469.78153	12243.14014	12310.4113	11094.69075
3.64_498.9944m/z	498.9943893	3.640283333	neg	SITS	53243	Lipids and lipid-like molecules	Polyketides	Aromatic polyketides		C13702	39.3	0	M+FA-H	C17H14N2O7S3	-0.280433749	8865.657589	6226.087403	8567.807198	7319.902733	7423.191452	7892.109576	8160.334557	7516.769946	5930.090552	6891.947771	7373.401615	5646.935119	7051.106625	8402.388116	8258.86988	8389.294057	8240.092017	5481.340886	7398.692102
3.74_157.0739n	158.0811902	3.742016667	pos	Paramethadione	HMDB0014755	Organoheterocyclic compounds	Azolidines	Oxazolidines		C07411	39.3	3.06	"M+H, M+Na"	C7H11NO3	0.130848036	6835.756395	6809.55914	6251.398451	2798.684323	9323.992402	2572.949758	3726.333064	23126.92637	11818.69124	2542.650423	2723.703793	5626.222552	4096.358531	7802.213153	5804.309807	4433.141855	10109.57703	6562.202103	3853.195636
3.74_291.0987m/z	291.0986955	3.743483333	neg	N-Acetyl-DL-tryptophan	34535	Unclassified	Unclassified	Unclassified			39.3	0	M+FA-H	C13H14N2O3	0.204464591	524.6835487	535.7518829	507.037771	463.8169178	296.5398733	494.2274189	390.9101489	591.7953749	581.8057779	450.5600867	378.5138856	884.1364576	523.2742074	439.1757803	489.1331717	397.834871	459.0440951	407.3541486	648.9512394
3.87_314.1596m/z	314.1596175	3.868866667	pos	Cyclocalopin E	HMDB0039814	Organoheterocyclic compounds	Furopyrans	Unclassified			39.3	4.33	M+NH4	C15H20O6	-0.663245434	586.5992809	529.082701	542.3647542	174.4680281	546.226515	623.0438759	230.2647877	3360.549571	1011.467279	379.7642975	179.8187246	414.4472445	305.1377255	180.4974466	152.0107175	226.0730631	395.9334595	342.8645694	273.0712841
4.12_181.1223m/z	181.1222688	4.11915	pos	Norecasantalic acid	91831	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.3	0	M+H	C11H16O2	-0.207425753	3136.478572	3318.578542	3075.258906	3276.609661	3104.341033	3017.118375	2892.424878	2909.158738	3226.347385	3089.316413	2922.743195	3076.492322	3037.201682	3464.390016	2938.021803	3284.613681	3331.074557	3029.055262	2325.829666
4.27_287.1248m/z	287.1247612	4.267633333	neg	N-Hydroxypentobarbital	1765	Unclassified	Unclassified	Unclassified			39.3	0	M+FA-H	C11H18N2O4	-0.407928045	202.87502	181.9951843	185.8091507	46.26557334	406.3987207	1195.751635	156.9428819	157.9086799	83.58454566	539.2269591	43.25272158	230.1262773	41.18999353	98.2841223	0.000297236	92.68918987	96.90112641	82.58135504	86.74797222
4.31_281.0303m/z	281.0303327	4.309783333	neg	5-hydroxymethyl-2-furanoate	86075	Organoheterocyclic compounds	Furans	Furoic acid and derivatives		C20448	39.3	0	2M-H	C6H5O4-	0.148263604	2044.029804	2190.168719	2161.74305	2391.725759	2102.523972	2018.798394	2324.222318	1920.953472	2245.903942	2002.372342	2623.754944	2026.161957	1956.999571	2033.948456	2108.282056	2198.106452	2224.09799	2054.509715	2319.264809
4.45_267.0699m/z	267.0698784	4.451533333	pos	Ribavirin	HMDB0014949	"Nucleosides, nucleotides, and analogues"	Triazole ribonucleosides and ribonucleotides	Unclassified			39.3	0	M+Na	C8H12N4O5	-0.458014325	1302.359833	1043.273164	1133.777322	884.8941239	954.1794788	1005.758454	1129.554488	1526.873416	1439.442307	1381.210726	1102.985061	1924.872179	791.5101842	921.1211086	852.4096046	998.3220851	569.6045952	761.0568522	661.6271508
4.52_259.1185m/z	259.1185015	4.5199	neg	"2-Carboxy-5,7-dimethyl-4-octanolide"	87330	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	*		39.3	0	M+FA-H	C11H18O4	-0.982653522	507.2039133	492.80951	471.9953976	227.2478197	557.0026313	563.9414477	227.3602375	2258.466573	1440.224165	380.179573	251.0144241	696.9600157	200.0322107	154.2832877	270.3911839	148.43282	256.3381158	247.56618	146.1295509
4.52_277.0440m/z	277.0440107	4.5199	neg	Trifluridine	43362	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides			39.3	0	M-H2O-H	C10H11F3N2O5	-0.521221448	6869.744724	5976.343737	6329.311528	11717.18279	6243.870157	3989.358386	6238.41784	6731.687697	6304.976625	2977.185257	6980.354893	8283.854197	5521.025865	6374.214085	5537.577083	5750.629225	8028.165806	7044.996352	4191.875291
4.52_393.0440m/z	393.044012	4.5199	neg	Inosine 2'-phosphate	HMDB0011681	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			39.3	4.87	M+FA-H	C10H13N4O8P	-3.709049413	4713.611738	4797.611515	4738.528216	4769.402289	5034.121312	4851.012361	4758.70893	4624.83023	4591.009807	4895.48657	5341.851722	4682.568031	4605.911089	4754.89049	4914.745582	4582.286491	4857.029526	5733.150818	4345.718808
4.73_231.0769m/z	231.0769421	4.73175	neg	1-Methoxy-1H-indole-3-acetonitrile	HMDB0040973	Organoheterocyclic compounds	Indoles and derivatives	Indoles			39.3	1.37	M+FA-H	C11H10N2O	-3.083017991	6424.359902	6546.26822	6556.582438	6270.288848	10437.27832	8732.669254	5758.654617	8413.800836	8464.553937	8263.870224	5708.174672	7605.335251	5719.722798	5298.587749	6561.888967	4142.899831	6618.906648	5300.231946	6384.695976
4.75_403.1259m/z	403.125902	4.7531	neg	202-791	69691	Unclassified	Unclassified	Unclassified			39.3	0	M+FA-H	C17H18N4O5	-0.057340703	557.0898684	504.9539242	447.2846872	641.1425713	563.3118278	411.0460205	583.4487812	381.4589288	284.9523922	594.1986817	610.1437159	321.8195265	534.7346956	510.4727611	420.6701779	579.370832	521.2660693	577.0371361	432.0296206
4.81_233.0426m/z	233.0425569	4.814416667	neg	Cysteinyl-Methionine	HMDB0028781	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.3	5.71	M-H2O-H	C8H16N2O3S2	0.649324338	1341.448626	1234.575427	1342.901613	402.2802517	1479.529354	4514.004853	849.091337	279.883807	719.795831	7095.24703	336.1300741	464.2155874	1187.449802	702.4312049	527.4445298	318.1536663	508.6492188	315.6993616	340.5757917
4.91_335.0385m/z	335.0385067	4.91215	neg	D-Sedoheptulose 7-phosphate	HMDB0001068	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C05382	39.3	0	M+FA-H	C7H15O10P	0.07077349	1286.733757	1245.225485	1263.071156	917.3920086	1155.907014	961.8721959	1207.659166	1187.072537	1088.166527	1197.54589	1236.003757	1152.815764	1109.469749	963.6559668	1121.34553	1090.672957	992.4465856	1206.502848	1195.986284
5.61_384.9941m/z	384.9941323	5.613333333	neg	"D-myo-Inositol 1,4-bisphosphate"	410	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	**	C01220	39.3	0	M+FA-H	C6H14O12P2	-0.351992728	613.4366344	392.3593683	546.2338448	69.42133104	191.0637746	177.8068198	0.000297236	3084.409721	1963.676066	0.000297236	89.63257223	982.9052772	99.97689715	94.56172495	0.000297236	0.000297236	147.3507941	87.10558083	177.1881489
5.68_462.2665m/z	462.2664831	5.679633333	pos	desmethylastemizole	HMDB0061013	Organoheterocyclic compounds	Benzimidazoles	Unclassified			39.3	3.11	M+NH4	C27H29FN4O	0.265047234	18209.16539	17373.54605	16550.79815	15002.88799	19612.85757	30775.29191	18052.41514	2760.389464	29591.92391	16873.23715	17879.35176	14931.46842	11583.89516	12576.60241	35483.99698	14602.08369	17014.45328	16992.25239	9853.349413
5.73_253.0503m/z	253.0502504	5.730166667	neg	ANTHRAQUINONE	43813	Unclassified	Unclassified	Unclassified			39.3	0	M+FA-H	C14H8O2	-1.835822235	3451.250092	3283.020546	3188.262637	660.2140623	6336.96746	11307.23365	565.9426987	940.8358557	296.8480728	22168.31269	394.595526	1004.235255	571.0918128	565.0250922	1231.213543	2457.164157	2478.745715	1260.905939	344.1630262
5.79_596.2510m/z	596.2509682	5.79205	neg	Endoxifen O-glucuronide	HMDB0060622	Phenylpropanoids and polyketides	Stilbenes	Stilbene glycosides			39.3	9.65	M+FA-H	C31H37NO8	1.538608145	952.1392883	1504.711724	1516.385836	0.000297236	464.1392966	135.8677681	537.5044486	5722.457108	5228.886614	0.000297236	278.4468412	3981.50967	0.000297236	124.502355	114.7667793	0.000297236	0.000297236	0.000297236	0.000297236
5.82_317.1145m/z	317.1144528	5.819883333	pos	"2-[(2Z)-4-hydroxy-3-(4-methylpent-3-en-1-yl)but-2-en-1-yl]benzene-1,3,5-triol"	HMDB0133087	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.3	0.647	M+K	C16H22O4	-1.849543134	4003.13715	3515.238827	4446.902664	4321.40731	4134.723495	4156.467418	4360.683595	4904.087066	5417.588347	3752.929823	4681.682905	3809.455394	3798.079901	4090.337007	4045.968958	4286.047981	3856.337715	4342.998781	3974.922509
6.46_251.1285m/z	251.1284762	6.461933333	neg	Methyl sorbate	LMFA07010967	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.3	0	2M-H	C7H10O2	-1.612342766	728.343975	1137.555154	990.0661228	743.2568589	895.7053755	1229.097383	725.7677204	0.000297236	89.50550547	1126.33362	847.8319609	144.1082809	302.4824725	704.1320006	458.7253791	879.8814621	1027.527415	1132.579943	278.9304905
6.58_222.1129m/z	222.1128789	6.582833333	neg	"7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one"	HMDB0039664	Organoheterocyclic compounds	Azepines	Unclassified			39.3	3.77	M+FA-H	C11H15NO	-3.884828971	2580.604865	3015.110611	2531.753163	2383.864341	2860.777777	3883.790666	3289.610211	1001.783251	1808.92275	3748.902946	4092.257792	2739.287548	2661.697165	3378.600744	2274.234278	1796.241149	2462.72723	2497.967264	2946.459534
6.64_269.0455m/z	269.0454611	6.640966667	neg	Hydroxyanthraquinone	65876	Unclassified	Unclassified	Unclassified			39.3	0	M+FA-H	C14H8O3	-0.383465606	724.6246084	719.5790867	690.7622747	60.21314388	1318.51905	3617.989986	143.0847849	222.2524307	174.4532393	5614.202989	0.000297236	245.9911619	74.01368162	44.27206085	411.0093274	187.9078031	210.2081892	117.2348245	61.70885966
6.64_582.2718m/z	582.2718396	6.640966667	neg	Dihydroergotamine	HMDB0014465	Alkaloids and derivatives	Ergoline and derivatives	Lysergic acids and derivatives		C07798	39.3	4.83	M-H	C33H37N5O5	-0.605682595	97261.66259	100756.7868	99475.33075	25710.25383	67323.85975	96855.76187	38393.04094	78387.07037	219577.2137	82121.13602	38135.60841	67196.69273	35426.36629	32646.3231	617505.5785	31092.02094	68229.30893	164488.6206	39440.49013
6.98_242.1758m/z	242.1757536	6.979416667	neg	N-methylundec-10-enamide	65467	Unclassified	Unclassified	Unclassified			39.3	0	M+FA-H	C12H23NO	-2.097967387	24094.27939	30587.28587	23954.89605	30246.95103	21872.59137	20610.5736	29675.05539	22805.58036	22551.47654	23429.6536	24358.58051	22226.26967	26531.50673	26784.37195	23653.14176	27049.06169	22143.58652	22850.24627	29575.85701
7.30_257.0816m/z	257.0816255	7.303466667	neg	"2E,4E,6E,12E-Tetradecatetraene-8,10-diynoic acid"	LMFA01031086	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.3	0.307	M+FA-H	C14H12O2	-1.447320561	173.8466102	168.4964154	165.4839244	0.000297236	0.000297236	781.9434746	0.000297236	0.000297236	0.000297236	1920.842833	0.000297236	0.000297236	73.94560778	0.000297236	0.000297236	38.12902923	183.4741339	37.50115181	37.29031296
7.57_200.1646m/z	200.1645555	7.572033333	pos	Linalyl formate	HMDB0030424	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.3	0	M+NH4	C11H18O2	0.27557597	610.3256808	691.9729087	691.8624135	605.1799585	693.8197613	1053.346387	503.9806677	1465.280244	1142.158834	889.4998541	631.6588449	665.6490541	536.3383556	504.6023673	750.341047	801.0091708	711.4811901	746.9622465	524.7364809
7.65_233.0722m/z	233.072229	7.652433333	pos	"3-Quinolinecarboxylic acid, 7-amino-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-"	1605	Unclassified	Unclassified	Unclassified			39.3	0	M+H-H2O	C12H11FN2O3	0.587166977	3939.57256	3671.059715	3517.985647	3822.010393	3742.295932	3676.105817	3726.097514	3350.014919	3344.504125	3701.980681	4036.960799	3974.640624	3808.861097	3988.917715	3760.139836	4168.48892	3773.696265	3821.600579	3591.321873
7.95_181.1221m/z	181.1220715	7.94965	pos	3-tert-Butyl-5-methylcatechol	66083	Unclassified	Unclassified	Unclassified			39.3	0	M+H	C11H16O2	-1.302881441	3709.898612	4139.155743	4047.022077	4022.981062	3768.510524	4022.463159	3887.157752	3938.062743	3146.463603	3900.867826	3868.174635	3908.023493	3858.734709	4004.429083	3894.471668	4114.078239	4530.720584	3907.755074	3634.852033
8.59_132.0767m/z	132.0766874	8.586833333	pos	Dihydrouracil	HMDB0000076	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C00429	39.3	0	M+NH4	C4H6N2O2	-0.574555304	585.6100635	672.2772066	553.3195445	604.4533697	581.199282	680.4284056	628.7857353	563.104754	518.3687861	511.9341135	612.7897392	709.220489	584.384012	602.7366591	592.2499957	649.0853245	672.3683089	578.6098271	522.3703121
9.09_242.2838m/z	242.2837954	9.0896	pos	1-Hexadecylamine	4110	Unclassified	Unclassified	Unclassified			39.3	3.27	M+H	C16H35N	-1.787172043	362473.8435	358332.0224	357831.8186	381904.6475	341596.8515	361643.1953	352276.3725	361200.7627	361760.198	363747.4373	372866.7397	360595.3726	365727.6343	360959.9262	380566.5973	385327.3219	350410.4209	358134.1887	348805.6459
9.11_338.9884m/z	338.9884423	9.111633333	neg	D-Glyceraldehyde 3-phosphate	3294	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00118	39.3	0	2M-H	C3H7O6P	-0.971750105	3827.951754	4012.489188	3496.929258	3307.342054	3134.447422	3819.202281	2557.603652	3259.651081	3408.482406	3669.358435	3616.37662	3866.436332	3582.455428	3388.713842	3329.071204	3510.731822	3904.60812	3488.78693	3354.230409
9.48_338.9884m/z	338.9884011	9.478216667	neg	Dihydroxyacetone phosphate	HMDB0001473	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00111	39.3	0	2M-H	C3H7O6P	-1.092910585	13172.57527	13379.25057	12439.55331	13113.28553	13339.57535	12902.44458	12282.73977	13206.60059	13654.84136	13350.31508	13735.05766	11845.58737	12655.08574	12669.77263	13439.89532	14152.3101	12477.98463	13383.3661	12641.20265
9.54_195.1381m/z	195.1380645	9.544916667	neg	6-hydroxy-4-dodecanolide	LMFA07040043	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			39.3	6.9	M-H2O-H	C12H22O3	-4.618057982	1534.422957	1378.21128	1565.791621	1276.37195	1239.473234	1107.681275	1645.38614	1382.936339	1297.644193	1537.607211	1655.028946	1358.373149	1440.72791	1431.001471	1464.980162	1308.756332	1271.908258	1191.185721	1628.795247
9.73_135.1167m/z	135.1166981	9.7295	pos	(-)-trans-Carveol	LMPR0102090005	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*	C00964	39.3	0	M+H-H2O	C10H16O	-0.846378508	7157.00562	7577.527694	7023.002454	8734.832983	8111.34679	7559.338828	11164.3015	8853.520626	8500.899846	9274.574918	11382.72395	10196.12022	11134.01524	8975.661864	10405.6817	8964.070149	7986.894324	8233.763847	9871.034325
9.81_287.2211m/z	287.2211063	9.81395	pos	"2,15,16-trihydroxy palmitic acid"	LMFA01050099	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.3	3.36	M+H-H2O	C16H32O5	-1.904984051	4537.131905	3899.150202	3683.335077	4332.507736	4121.618709	4647.652258	4266.963222	4013.804724	3800.678679	4175.518761	4508.189924	4110.902764	4158.515694	3997.93465	3383.32673	5226.796632	3937.05065	3884.831695	3166.244006
9.90_254.1759m/z	254.1758564	9.896683333	neg	Labienoxime	91209	Organic nitrogen compounds	Organonitrogen compounds	Oximes			39.3	0	M+FA-H	C13H23NO	-1.486110759	466.5467002	476.0496296	442.0139245	385.2294494	466.3765089	789.3338532	421.1175542	388.2944134	670.3107965	275.7178356	411.0483397	299.4538479	1007.999263	755.5850078	502.2438332	527.5454294	384.1568139	397.353553	826.3760622
9.98_335.2228m/z	335.2227636	9.978783333	neg	Methyl octynecarboxylate	HMDB0031273	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.3	0	2M-H	C10H16O2	-0.057868232	857.5857635	1166.582984	977.9894095	717.9943594	931.0368372	666.799414	318.8999233	138.8757614	76.71847176	526.124133	532.4457207	606.5235127	783.4661309	439.7573164	704.4578072	719.8116216	847.8874813	1205.266566	1107.30403
0.44_140.0479n	123.0446002	0.439416667	pos	Ethyl maltol	HMDB0031735	Organoheterocyclic compounds	Pyrans	Pyranones and derivatives		C20362	39.2	7.6	"M+H-H2O, M+H"	C7H8O3	3.886665926	121719.4222	110072.7168	115853.4007	119308.7907	110820.3102	121114.1129	122393.963	124456.8062	117586.4459	123449.1211	122660.0546	109281.8878	110699.0821	109211.8763	118904.0506	120582.2975	112345.5297	123683.4656	113758.0099
0.64_205.1546m/z	205.1546085	0.643516667	pos	KAPA	3322	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C01092	39.2	0	M+NH4	C9H17NO3	-0.322885188	21260.22125	20310.75033	20775.71738	17514.75972	23306.05451	30083.60118	16693.91817	21264.63148	15735.1231	20800.76204	19418.81735	20615.51213	21362.11338	24013.30431	18545.67811	24603.64596	23933.68954	27242.55631	18571.68623
0.66_218.0425m/z	218.0424525	0.660716667	pos	D-Erythrose 4-phosphate	HMDB0001321	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00279	39.2	0	M+NH4	C4H9O7P	0.188323088	24445.19971	23055.19123	23775.98099	22103.83403	20266.73953	17882.61599	16415.92482	34042.47003	38248.2764	21997.06457	18594.3241	42898.23204	19311.44679	20689.44491	18237.44147	22587.25642	20691.20933	22963.92609	19071.16405
0.66_317.1149m/z	317.1148554	0.660716667	pos	"2-[(6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]benzene-1,3,5-triol"	HMDB0133090	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.2	0.36	M+K	C16H22O4	-0.402115381	117231.3286	109864.7163	132019.1245	118384.5907	131623.031	125998.3052	135085.6983	154341.8097	146701.5738	142209.314	117207.6543	131885.7876	120596.2903	114401.6935	110475.9706	112415.1506	112242.1528	120040.0356	133488.6981
0.68_203.1753m/z	203.1753151	0.677733333	pos	N-methyl-Gabapentin	2992	Unclassified	Unclassified	Unclassified			39.2	0	M+NH4	C10H19NO2	-0.482117786	1112.322356	1101.045414	1126.92218	4522.832968	0.000297236	707.3006677	0.000297236	0.000297236	519.8173998	0.000297236	1540.005039	4493.646127	1598.95536	0.000297236	4327.551643	3940.065129	0.000297236	6942.088201	1822.472948
0.71_300.0394m/z	300.0393568	0.712816667	neg	N-Acetylglucosamine 6-sulfate	HMDB0000814	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C04132	39.2	18.3	M-H	C8H15NO9S	-0.394592623	234215.2988	232490.572	232148.3018	253268.7403	226642.7173	351880.416	165281.2619	384217.2879	392730.798	248284.6315	211182.78	356946.684	191437.2656	170798.8492	170569.5296	194583.7843	164747.1294	201046.3083	213411.1093
0.76_212.1028m/z	212.1027501	0.764	pos	2-Pyridylacetylglycine	1311	Unclassified	Unclassified	Unclassified			39.2	0	M+NH4	C9H10N2O3	-1.121451933	3629.698326	3548.240975	3962.683929	3923.732399	4488.592366	3778.037283	3016.730522	6083.060108	3519.113201	3659.394366	3321.837203	1206.696186	3704.705649	3799.772257	2727.510216	2997.286351	3944.71555	2625.272256	4528.231013
0.76_266.0547m/z	266.054709	0.764266667	neg	L-Histidinol phosphate	3355	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C6H12N3O4P	-0.164344409	5109.684872	4160.598894	4889.658868	3639.487139	8717.649859	10410.49226	3287.540603	2651.332895	2518.446851	9171.784177	3601.727572	1768.175177	6497.092136	6250.52461	5611.243875	4549.54775	5189.856605	3680.663991	4707.662373
0.78_164.0704m/z	164.0703827	0.781033333	pos	Coumarin	HMDB0001218	Phenylpropanoids and polyketides	Coumarins and derivatives	Unclassified	***	C05851	39.2	0	M+NH4	C9H6O2	-1.521843704	1336.228031	1631.377267	1187.415466	315.9661502	680.45693	343.0172027	0.000297236	220.5805124	16949.59373	275.0540522	195.2816959	7242.115671	715.226884	0.000297236	253.2169607	252.4525061	220.2242518	0.000297236	219.8686383
0.78_244.1299m/z	244.1299481	0.781716667	neg	Gamma-glutamyl-Valine	86054	Unclassified	Unclassified	Unclassified			39.2	0	M-H	C10H19N3O4	-1.352720325	787.8353419	628.0687488	537.618651	476.8481263	650.9276048	674.8521338	769.6718847	421.9514046	100.4952788	1042.991364	544.8213416	121.0931672	791.2211836	945.8460392	1018.142108	895.8858899	862.5446603	583.8684546	861.0832056
0.83_287.9800m/z	287.9800279	0.833416667	pos	Alendronic acid	HMDB0001915	Organic acids and derivatives	Organic phosphonic acids and derivatives	Bisphosphonates		C07752	39.2	0	M+K	C4H13NO7P2	0.581517006	3442.750227	3568.096398	2079.128952	308.8489419	1968.515251	0.000297236	2207.146854	19766.5188	20857.55422	8641.30849	553.0766477	4411.655596	1837.04114	3480.685704	1856.337153	1124.199293	2209.451022	809.6656958	0.000297236
0.92_359.0902m/z	359.090215	0.919466667	neg	Crotoxyphos	72730	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C14H19O6P	0.277425612	949.394755	1326.791971	1248.805092	1311.139892	1340.901401	1752.658939	1820.433307	1228.476793	2573.161599	1268.596933	1517.853881	1356.697263	1227.947379	998.8880458	1341.401601	1286.465952	821.7344847	1312.221513	1739.387183
0.95_163.0753m/z	163.0753113	0.94875	pos	"1,2-Dihydronaphthalene-1,2-diol"	HMDB0060335	Benzenoids	Naphthalenes	Unclassified	**	C06205	39.2	0	M+H	C10H10O2	-0.275765065	6229.544556	6477.573244	7052.790213	5614.803346	5769.954015	6086.464827	6749.088054	6689.757121	11982.29628	6180.918487	5549.350669	8977.092267	6074.213411	5878.691055	6121.460385	5837.755896	5403.916142	6037.982348	5090.968818
0.98_224.9987m/z	224.9986905	0.9796	neg	"2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound A)"	2424	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C4H2F6O	-2.757767024	34095.79436	36109.3046	38165.85522	36997.33031	37513.97257	35525.10816	36147.65793	34172.73249	34248.87424	39242.33924	43451.66321	32922.2715	33579.67588	37384.97921	35193.95338	37456.75237	37884.98656	36363.08997	36157.48201
1.00_134.0459m/z	134.0458636	1.001316667	neg	β-Alanine	36	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00099	39.2	0	M+FA-H	C3H7NO2	-0.199452426	3028.402717	3596.361379	3294.581854	6345.738609	3687.884661	3165.691926	4419.952107	3416.101801	3629.47744	3223.555678	3461.035115	4037.513506	1985.503622	2803.136124	3556.42072	2984.751825	2647.711807	3100.112714	2553.419455
1.08_331.0910m/z	331.0909518	1.081483333	neg	7-Methylxanthine	HMDB0001991	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	**	C16353	39.2	0	2M-H	C6H6N4O2	0.2327888	46555.72211	50908.76463	46211.76733	51105.00129	53853.28417	45711.45684	49991.67753	36402.38944	37889.46074	51866.52129	50290.57329	45488.53673	50324.94843	43886.88599	48988.22199	50613.28527	42754.65795	43417.25103	45318.48687
1.12_231.0837m/z	231.0837445	1.118383333	pos	Ethyl beta-D-glucopyranoside	HMDB0029968	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			39.2	0.86	M+Na	C8H16O6	-0.789926495	6969.629528	8385.991933	7561.515806	6625.551182	7711.101917	26352.24713	4386.762332	260.7902877	629.0015009	25396.64838	4797.791321	2094.252348	13423.75656	11565.97893	2928.295739	4516.186816	5010.4118	4581.116452	8529.177909
1.14_174.1237m/z	174.1237321	1.13905	pos	Indospicine	3299	Unclassified	Unclassified	Unclassified			39.2	0	M+H	C7H15N3O2	0.166988548	5247.037332	6386.348794	6211.979491	10884.25883	1933.39844	4040.887518	1795.86568	11198.33097	8711.182577	1712.012758	4735.491575	14843.85082	3540.040485	2264.861065	4144.371769	4430.961175	4314.427812	10454.04493	6877.210286
1.16_312.1090m/z	312.1090032	1.1608	neg	5'-O-beta-D-Glucosylpyridoxine	66097	Unclassified	Unclassified	Unclassified			39.2	0	M-H2O-H	C14H21NO8	0.385478722	28215.37652	29391.28639	30296.8838	35021.22703	23954.16476	31152.55598	21411.90188	21581.76285	21659.09665	27502.34337	31801.56125	24994.14604	31433.19594	28049.73055	33934.63077	33658.54513	28513.27496	38538.42249	39535.84159
1.22_151.0752m/z	151.0752287	1.219283333	pos	4-Coumaryl alcohol	HMDB0003654	Phenylpropanoids and polyketides	Cinnamyl alcohols	Unclassified	**	C02646	39.2	0	M+H	C9H10O2	-0.848451406	6801.317402	6822.620339	5895.586657	7937.618982	7717.403853	5741.496431	6524.057768	7447.062149	7196.540064	8298.397096	8731.074723	6341.307361	5917.624664	6184.080139	7377.476715	6389.576711	7804.019232	7465.250302	5144.010679
1.26_345.0798m/z	345.0798124	1.259833333	neg	Azaserine	72922	Unclassified	Unclassified	Unclassified			39.2	0	2M-H	C5H7N3O4	-0.643297111	8192.730326	7660.880853	10751.26614	14476.19761	9237.816285	11041.60246	14052.57434	19993.0777	13536.1819	6504.517427	14322.65727	5775.876677	7703.102174	6877.428926	5395.194569	7260.628915	7438.089426	7838.503834	6146.636426
1.28_585.1957m/z	585.1957215	1.278566667	pos	"5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside"	HMDB0034812	Phenylpropanoids and polyketides	Isoflavonoids	Isoflavonoid O-glycosides			39.2	7.35	M+Na	C28H34O12	2.622374913	11795.94576	18946.94613	11522.28261	16859.40204	12397.89976	8332.419875	14658.36595	3601.313147	6680.322196	10816.2898	9793.199896	4406.490046	13231.55239	16778.67036	15788.54488	12219.62003	4284.378234	15375.89831	17656.8237
1.34_366.0605m/z	366.0604603	1.335283333	pos	Fludarabine	HMDB0015206	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides			39.2	0	M+H	C10H13FN5O7P	-1.311403478	7488.723188	9083.318587	7779.885848	0.000297236	10362.31923	0.000297236	327.8161832	70370.92665	46726.21236	0.000297236	2601.879146	10498.83955	3514.069313	11508.28344	7500.480238	4793.938124	3914.876611	1320.964672	10012.19076
1.44_259.1298m/z	259.1298329	1.44135	neg	d-Dethiobiotin	3351	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C01909	39.2	0	M+FA-H	C10H18N2O3	-0.525091291	1693.787649	1517.383557	1502.361681	1029.941247	2355.954809	1301.343924	2489.790656	400.5057641	488.786535	2158.569529	1207.222896	475.4463063	2020.694045	2001.771145	2073.719202	2253.898166	2004.094021	1147.318202	2005.141571
1.67_135.1168m/z	135.1168007	1.670633333	pos	"p-Mentha-1,3,8-triene"	HMDB0037013	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.2	0	M+H	C10H14	-0.194951849	25392.71539	20383.97603	22605.75589	21461.69881	21707.95735	22656.77341	21887.17344	21032.56757	21878.99779	21353.35833	25868.10291	22569.28028	20287.44113	20060.86407	21722.83892	21364.2333	20723.65377	21105.52765	18255.06684
1.86_230.9458m/z	230.9458382	1.8645	pos	"Cyclic 2,3-bisphospho-D-glycerate"	66351	Unclassified	Unclassified	Unclassified			39.2	0	M+H-H2O	C3H6O9P2	1.699698573	4169.89698	3696.368603	3710.398398	3673.062234	3118.494513	3433.350487	3593.206406	3113.731408	3458.804893	3630.55778	3569.438825	4113.050219	3699.321694	3941.483946	4054.812433	3860.438131	3828.760046	3650.634761	3592.76452
10.06_269.2121m/z	269.2121002	10.06331667	neg	3-Pentadecenal	94889	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*		39.2	0	M+FA-H	C15H28O	-0.527110453	578.2356111	400.9759751	498.2776604	415.2479658	872.4219188	719.4053083	388.63028	390.2319457	571.8752169	499.8574808	350.0611392	461.1342189	773.6659528	575.5104209	556.5512569	552.0111157	379.0082923	475.8711061	559.0363113
10.15_452.9983m/z	452.9982727	10.14771667	neg	Nitroglycerin	HMDB0014865	Organic oxygen compounds	Organic oxoanionic compounds	Organic nitrates		C07455	39.2	0	2M-H	C3H5N3O9	0.862503819	16121.80767	16031.37067	14265.9885	16795.87202	14902.81765	14201.0049	14798.62118	15288.05243	14841.14032	16630.11792	17413.45663	16146.0293	14685.93511	13621.88035	13559.65837	15749.90728	15894.56967	14912.41349	15236.21171
10.21_307.1892m/z	307.1892238	10.21133333	neg	"14,14,14-Trifluoro-11E-tetradecenyl acetate"	46326	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			39.2	0	M-H	C16H27F3O2	0.60180057	261.3252696	403.6971408	423.1931763	83.5110487	603.5944959	713.8676943	205.1469826	665.8573664	429.7245001	564.9821552	183.6804335	211.1735318	192.2026375	238.8069264	155.2407089	188.5260542	160.7746696	77.99940266	305.9283685
10.61_551.3591n	550.3518675	10.61446667	neg	PC(16:0/3:0)	LMGP01010666	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			39.2	4.88	"M-H, M+FA-H"	C27H54NO8P	0.797267516	11865.38384	16722.61727	15063.04885	9206.182238	11711.64188	8103.096203	8274.428087	20486.44252	20085.53507	6545.655352	9092.25258	13026.52403	6700.800075	4536.600524	10218.87146	10529.83456	12327.91235	9254.478855	5938.49892
10.82_371.3155m/z	371.3154649	10.81821667	pos	Dioctyl hexanedioate	HMDB0041619	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		39.2	11.1	M+H	C22H42O4	-0.327795913	55603.63186	73066.43461	53313.86835	52882.9303	47837.91466	50209.9542	51678.94311	49570.47633	54307.33856	51397.42059	52743.43571	66769.1259	74464.99743	79336.37345	96526.11788	66297.69077	52853.78266	44190.9032	49277.4902
10.90_310.1538m/z	310.1537507	10.90216667	pos	Diacetylaminoazotoluene	71652	Unclassified	Unclassified	Unclassified			39.2	10.9	M+H	C18H19N3O2	-4.051877645	8627.57671	10675.43656	11027.65377	9825.096673	12802.57925	12175.69273	10838.04008	8817.816723	11455.51255	8380.775391	8911.987388	10199.28524	13670.46109	11647.23068	11724.45095	11818.68967	11368.35827	10645.9881	11039.31637
11.02_895.5549n	894.5476294	11.01853333	neg	"PS(DiMe(11,3)/DiMe(11,5))"	HMDB0061553	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	*		39.2	10.6	"M-H, M+FA-H"	C48H82NO12P	-2.856176475	1192772.098	1220958.597	1166914.858	1245889.294	1214360.574	1217910.429	1255162.668	1243120.325	1359009.451	1368788.355	1405340.326	1259360.827	1159158.453	395487.8885	1338738.065	1455452.463	1410126.3	1348957.23	1175039.785
11.23_395.2398m/z	395.2398442	11.23123333	pos	"8,8a-Deoxyoleandolide"	LMPK04000030	Lipids and lipid-like molecules	Polyketides	Macrolides and lactone polyketides	**	C11989	39.2	4.2	M+Na	C20H36O6	-1.518661641	10071.80472	5545.847236	9212.137361	10053.96184	9261.642101	8711.894731	7858.588469	9888.558008	8627.861196	9831.403731	9889.214109	6162.414389	5664.037382	6625.908583	7784.502361	9425.088307	8180.372729	8487.973347	8998.1092
11.32_353.0040m/z	353.0039636	11.31721667	neg	(±)-Mevalonic acid 5-pyrophosphate tetralithium salt	397	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C6H14O10P2	-1.490811931	2995.048549	2714.478412	2291.534357	2416.619169	2538.840112	2599.203043	3007.637134	2901.971292	3025.725331	2884.878542	3006.412566	2702.604572	2635.771854	2679.136501	2329.854211	2719.810535	2508.992772	2976.804895	2682.901686
11.32_639.2762m/z	639.2761961	11.31721667	neg	Hildgardtene	LMPK12020282	Lipids and lipid-like molecules	Polyketides	Flavonoids			39.2	0	2M-H	C21H20O3	1.536081034	28359.73132	27724.22486	27928.63506	29964.22232	33388.75662	33758.87214	33673.41175	18484.46774	24988.97137	30139.36191	27500.96687	27572.86296	41073.07215	38640.57702	27866.57559	29086.27239	28172.86288	28525.01499	36257.37114
11.42_384.2543m/z	384.2542698	11.42268333	neg	Evocarpine	71459	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C23H33NO	-0.435663524	6198.879819	5391.45878	5752.33966	8863.898363	7398.59912	8174.304993	5545.41109	6322.965246	6099.723193	7043.139997	6845.758171	8485.395591	7171.096983	7754.183114	7428.654393	8272.48774	7574.337137	9645.881233	8559.982075
11.55_392.2806m/z	392.2805642	11.5504	neg	"Anandamide (20:4, n-6)"	LMFA08040001	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	**	C11695	39.2	0	M+FA-H	C22H37NO2	-0.196235173	5001.449635	5281.703745	5177.546989	9639.946096	5817.25886	8503.190503	5549.431433	1906.363496	2430.625579	6486.412631	6220.835033	3509.134193	6984.460483	6567.916322	7959.238976	8259.779495	6955.128293	7598.216107	7392.638003
11.97_258.2787m/z	258.278685	11.9722	pos	9-hexadecen-1-ol	LMFA05000030	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			39.2	1.19	M+NH4	C16H32O	-1.898883351	3936.108831	3750.179571	4262.642334	4464.717127	3451.370259	4029.351617	4510.100757	3788.057807	4117.447781	3955.117211	3477.902737	3531.553363	4311.177266	3945.626196	4307.991148	4098.277477	4516.5284	4196.419193	3791.663955
12.21_323.2588m/z	323.2588414	12.20761667	neg	2-Pentadecylfuran	HMDB0033609	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			39.2	0.216	M+FA-H	C19H34O	-1.175783155	8944.515461	8521.277207	8140.046865	11661.16447	6646.3017	8550.101636	11373.84047	6933.243574	8100.580895	6614.662065	12987.55093	8896.32629	10218.98506	9906.983447	10152.8887	12298.41859	10122.72515	10972.22993	9468.742984
12.35_677.4546m/z	677.4546121	12.35293333	neg	"PA(22:4(7Z,10Z,13Z,16Z)/14:0)"	HMDB0115323	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	*		39.2	0.493	M-H2O-H	C39H69O8P	-0.793388574	15816.82498	11499.76133	13924.6988	18902.07302	14005.76309	16177.71361	14341.05252	15700.55015	12517.22445	12918.39019	17728.34261	15594.55659	22189.78881	21134.98192	18460.54173	11658.80803	18870.58343	17349.98675	23353.62523
12.36_385.1662m/z	385.1661674	12.3611	pos	12-Dehydroporson	HMDB0041417	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides			39.2	5.98	M+H	C22H24O6	4.171512831	108264.0706	82715.57198	118880.2477	137518.3996	117439.2677	111675.4613	120273.3955	107927.6736	105699.9593	103587.7705	121175.3665	88195.78621	105870.9146	112264.6592	112175.1706	124099.1019	117833.3356	134599.4579	133154.8045
13.47_100.1123m/z	100.1123357	13.47398333	pos	2-Methylpiperidine	88440	Organoheterocyclic compounds	Piperidines	Unclassified			39.2	0	M+H	C6H13N	2.62179343	1021.566056	865.3826784	1060.321213	1029.367478	1140.573807	920.9291784	1147.288955	970.521727	1113.568605	1111.322889	1019.262855	897.1509501	652.7341128	945.6816698	1091.226824	1168.093044	1044.609115	1118.261215	937.5385323
13.48_190.0041n	188.9967877	13.48148333	neg	3-Hydroxy-4-aminopyridine sulfate	HMDB0061120	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			39.2	12.5	"M-H, 2M-H"	C5H6N2O4S	-4.018425653	138543.6244	136218.6157	135095.6267	137536.3014	135181.7167	139355.3012	141737.9344	144969.4943	135944.6646	143041.0831	149511.0564	134058.3336	126197.573	133509.6241	138587.0513	144682.0816	135421.6712	144693.7625	130322.5367
14.30_423.2508m/z	423.2507562	14.2988	pos	"17,20-dimethyl Prostaglandin F1α"	45618	Unclassified	Unclassified	Unclassified			39.2	0	M+K	C22H40O5	0.06170598	10441.85169	6062.200559	8860.699033	9738.877685	10039.9239	8493.905315	9369.330986	8677.929242	9720.943383	8883.510243	10409.66297	8211.889223	9496.010613	11156.67123	10370.2508	9552.523512	10691.42226	9681.222801	9440.111698
15.53_176.1179m/z	176.1178923	15.52508333	pos	Debrisoquine	58453	Organoheterocyclic compounds	Tetrahydroisoquinolines	Unclassified		C13650	39.2	7.43	M+H	C10H13N3	-1.893476836	15162.54488	9939.852915	12114.62986	13485.14563	15192.90112	12811.91978	12299.68133	13125.80765	13736.74584	15237.17474	16914.82069	10675.5527	10533.31948	11556.54117	10493.00674	11978.27042	11838.23164	11510.26934	12454.65744
15.74_151.0744n	169.1081285	15.73598333	pos	"chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a"	HMDB0062464	Benzenoids	Benzene and substituted derivatives	N-phenylureas			39.2	2.42	"M+H-H2O, M+NH4, M+H"	C7H9N3O	-1.35242224	7191.325229	6763.636164	9932.617877	7548.395102	7619.816105	4619.744123	5434.298421	5880.518504	21501.41297	6739.61349	5109.218966	7446.650515	6631.352716	5127.995293	10788.46552	12887.92925	5560.23803	5354.36254	5099.336307
15.76_183.1377m/z	183.137714	15.75651667	pos	alpha-Terpineol formate	HMDB0032050	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.2	0	M+H	C11H18O2	-1.330144748	17490.33952	17187.96703	16787.99408	18260.53604	18624.05202	18403.0402	17680.39927	17121.8777	18019.53625	17593.52527	19451.72588	18617.69454	18316.83609	17092.10463	17146.93813	19241.65571	17104.54577	17747.05205	18093.33558
2.05_329.1117m/z	329.1117265	2.054766667	neg	N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine	HMDB0032766	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.2	6.26	M-H2O-H	C12H20N4O8	4.176494488	2689.298726	2794.353334	2525.379222	0.000297236	5291.812663	1027.722418	350.4562967	14636.6496	5379.244047	758.9055354	718.9185778	1707.918044	1462.628783	2180.825398	2350.641122	1543.47051	3870.076524	1317.277179	1702.554026
2.05_445.1194m/z	445.1193526	2.054766667	neg	Trisphaeridine	69349	Unclassified	Unclassified	Unclassified			39.2	0	2M-H	C14H9NO2	-0.062915301	10755.72761	9586.103213	10927.78967	9372.535431	10233.29389	10900.04555	9769.179429	8231.220769	8347.785878	9613.444384	9926.728138	9668.320673	9405.070346	8217.341899	11500.18756	10224.90072	11088.75126	11935.20635	10094.29245
2.12_283.0368m/z	283.0367732	2.119316667	neg	Olsalazine	HMDB0015380	Organoheterocyclic compounds	Azobenzenes	Unclassified		C07323	39.2	7.03	M-H2O-H	C14H10N2O6	2.410905945	1105.274294	935.6849422	936.5709916	335.4489829	340.6145596	567.4939569	124.6604458	3508.658313	5075.801742	372.6275857	256.1656202	1935.597575	675.3468082	381.7009456	469.4553007	389.2900404	491.0033924	473.3835309	762.2045691
2.61_231.1589m/z	231.1589328	2.606183333	pos	Dipropyl hexanedioate	95986	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.2	0.711	M+H	C12H22O4	-0.66396392	3498.719072	4233.682537	3802.820536	3613.826894	3765.013387	3564.093889	3867.845657	3610.260732	3698.262274	3863.824581	4087.742529	3886.348412	3400.820436	4065.999958	3991.9438	3625.347579	4077.230679	3898.844596	3519.890951
2.76_150.0680n	151.0753269	2.763916667	pos	hydrocinnamic acid	4153	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified	**	C05629	39.2	0	"M+H-H2O, M+H"	C9H10O2	-0.285866078	75559.01234	74234.09708	71194.07826	73801.35025	70954.20081	73363.1644	75175.08784	74371.27335	77202.6772	76573.24932	78553.4321	77110.96272	71744.2573	71911.10621	76766.9135	77113.61324	72529.84031	74155.2496	68604.97771
2.78_120.0809m/z	120.0809191	2.78305	pos	Tyramine	HMDB0000306	Benzenoids	Benzene and substituted derivatives	Phenethylamines	***	C00483	39.2	0	M+H-H2O	C8H11NO	1.045744237	2288.023934	2104.961507	2223.099021	2225.256822	2619.404982	2316.943151	2453.849981	1949.165349	1832.296734	2250.097655	2231.291958	1947.33396	2518.511903	2383.988438	2467.558889	2283.900913	2013.510239	1978.662398	2664.168477
2.96_279.1342m/z	279.1341573	2.9598	pos	N-(4-phenyl-3-oxo-tetranoyl)-homoserine lactone	LMFA08030039	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			39.2	0	M+NH4	C14H15NO4	0.857062364	18151.16316	18403.82097	17863.66432	17274.70254	17202.58286	16589.83116	18456.40814	15567.08187	15024.56827	19718.72141	17940.79834	18654.25171	15457.65071	15647.44275	17291.34512	15109.71945	17762.34992	17550.08091	19143.991
3.08_137.0960m/z	137.0960475	3.079566667	pos	Benzyl ethyl ether	HMDB0031312	Benzenoids	Benzene and substituted derivatives	Benzylethers	***		39.2	0	M+H	C9H12O	-0.323014251	22942.42212	21272.14172	20690.97035	20883.71582	20909.29753	21123.81257	20930.79963	21662.31126	23332.67472	21944.01769	22276.42259	24304.37748	21726.17808	21424.52916	22253.46939	21167.70982	20878.4987	21372.75396	19487.84669
3.35_181.1223m/z	181.12225	3.353616667	pos	"formyl 2E,4E,6Z-decatrienoate"	97203	Unclassified	Unclassified	Unclassified			39.2	0	M+H	C11H16O2	-0.311689302	6082.580383	5294.228898	5046.088333	5576.191212	5427.906283	5260.886074	5573.724154	5327.188746	5353.092761	5535.149097	5519.58269	5830.101039	5482.366781	5341.275945	6274.893264	6525.810582	5542.039345	5609.267945	5260.324602
3.49_433.1228m/z	433.1227933	3.494566667	neg	Fructoselysine 6-phosphate	71228	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C12H25N2O10P	-0.234987861	1547.367849	1505.250025	1671.087764	1568.792463	1478.955399	1098.120702	1462.590221	2084.419806	1897.688043	1199.949602	1836.775543	2562.736009	1104.045596	1834.88997	1837.200874	1300.017139	1816.094649	1585.5159	1848.773576
3.54_408.1793n	409.1865517	3.538083333	pos	3-O-Methylniveusin A	HMDB0039084	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		39.2	2.57	"M+H, M+Na"	C21H28O8	2.100662118	113949.4568	119711.2654	121513.3466	122457.3102	120648.162	123322.2534	108949.5571	67845.42931	74151.20655	110578.4727	97098.0544	125237.6747	130787.8232	137636.2621	144005.2891	111277.8152	142597.0795	145390.8001	186925.7943
3.60_217.0471m/z	217.047143	3.598316667	pos	Digitalose	66854	Unclassified	Unclassified	Unclassified			39.2	0	M+K	C7H14O5	-0.7783011	4664.091081	4354.340929	4545.554627	4641.883933	4297.030903	4970.195859	4138.673165	4239.783179	4625.313767	4175.004622	4663.655667	4631.048279	3994.218815	3345.249551	4775.835002	4316.084897	4454.375128	4459.314833	4292.996562
3.70_279.0985m/z	279.0985219	3.70115	neg	p-Hydroxyprimidone	2086	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C12H14N2O3	-0.526666081	1125.005192	983.1476753	1008.337364	1133.38755	1333.205087	1260.912128	1105.139051	1118.49737	660.2520274	1177.334781	714.2234403	1104.443508	1153.370176	1441.604626	1009.815974	856.938261	1065.151086	858.8030714	1349.639851
3.72_293.1144m/z	293.114358	3.721766667	neg	6-Hydroxymelatonin	HMDB0004081	Organoheterocyclic compounds	Indoles and derivatives	Hydroxyindoles	**	C05643	39.2	0	M+FA-H	C13H16N2O3	0.252776286	551.0234195	621.267127	647.8685643	480.4362696	919.366039	761.9863764	1025.728109	356.6272489	303.5386847	780.9240404	677.7711726	282.4419167	810.56325	785.7373653	745.5428148	543.2823255	662.9037223	461.5125227	913.8673772
3.80_133.0860m/z	133.0859856	3.80485	pos	(5R)-5-Hydroxyhexanoic acid	5398	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39.2	0	M+H	C6H12O3	0.491819068	1375.357351	1412.057097	1494.839359	1648.520787	1538.140969	1693.125492	1898.492156	1695.06087	1347.926235	1436.469954	1620.00005	1966.865167	1610.111384	1344.694955	1448.839113	1705.115431	1047.181007	1535.596378	1740.122118
4.06_258.0381m/z	258.0381289	4.057716667	neg	D-Galactosamine 6-phosphate	63180	Unclassified	Unclassified	Unclassified			39.2	0	M-H	C6H14NO8P	-1.149405439	572.1609505	657.6111175	668.9446467	560.7238164	672.1472559	707.6453182	780.5568455	864.6024894	1005.793411	597.9064794	542.5488215	1055.508957	596.5391851	553.917175	633.2489166	457.3640589	449.1504313	584.4380868	485.1115511
4.31_303.0123m/z	303.0122621	4.309783333	neg	6-Phosphonoglucono-D-lactone	HMDB0001127	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01236	39.2	0	M+FA-H	C6H11O9P	-0.036110739	1044.596597	1126.895389	953.1464707	1394.304482	941.0973622	1074.581	1198.165258	1109.032123	1086.796764	1074.7751	957.6568293	1152.765949	1116.78489	1015.12783	971.2971436	1277.693554	1292.186778	1160.091731	1202.874827
4.39_285.1707m/z	285.1706686	4.394533333	neg	7-oxo-11E-Tetradecenoic acid	LMFA01060186	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39.2	0.299	M+FA-H	C14H24O3	-0.328559274	628.4847849	609.4015695	811.8327467	729.2733683	392.5618119	4804.297479	0.000297236	0.000297236	91.87568894	2547.158992	439.9379008	106.8883754	134.8114413	73.88107779	444.256721	224.7379401	1262.763347	496.3959436	98.20310616
4.45_273.1306m/z	273.130591	4.451533333	pos	Ganciclovir	HMDB0015139	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			39.2	0	M+NH4	C9H13N5O4	0.04530621	2888.593054	2876.249202	2751.626335	1588.927953	3038.160884	3897.476919	3945.561768	3514.653556	2765.432661	2095.512669	4486.153727	3813.567627	3254.362793	3316.439408	2126.156477	2508.781433	2634.98178	2137.603619	4118.240725
4.49_255.2315m/z	255.2315469	4.4914	pos	Trans-Hexa-dec-2-enoic acid	HMDB0010735	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***		39.2	0	M+H	C16H30O2	-1.218326792	1919.030421	2542.561331	2605.694278	2920.054454	2613.921037	2792.334082	2357.548183	2692.217791	2507.375757	2670.678326	2552.557751	2678.426074	2458.355445	2190.748787	2474.481856	2809.098771	2650.502058	2573.973627	2508.876299
4.60_121.1012m/z	121.1012397	4.595183333	pos	"(3Z,6Z)-3,6-Nonadienal"	HMDB0031152	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C16323	39.2	0	M+H-H2O	C9H14O	0.455047632	2622.594056	2600.544688	2687.34381	2398.427754	2625.479529	2825.424624	2494.642465	2503.077953	3461.242347	2818.238096	2678.29799	2763.728414	2182.566809	2443.510675	2597.372581	2509.875391	2435.542175	2385.545298	2272.654821
4.77_250.1081m/z	250.1081067	4.774216667	neg	Normeperidinic acid	1133	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C12H15NO2	-1.827856641	314.4615887	236.1575005	339.9286529	90.29455487	546.9495112	138.0459094	123.0420177	825.534713	638.6065938	115.3107565	147.8360536	450.0407603	272.1414761	339.2887591	368.370503	259.8771945	214.4650311	200.4948551	414.0229698
4.98_340.0412m/z	340.0412238	4.976133333	neg	"4-Quinolinemethanol, 2,8-bis(trifluoromethyl)-"	1105	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C12H7F6NO	-0.549847961	508.2361098	642.2843127	763.4620808	234.7413474	1164.582556	742.7395614	1071.077299	0.000297236	515.8691165	1776.997853	608.4008467	311.1947426	923.3142318	742.3064298	754.7425447	421.3496367	567.3427243	194.4452369	473.3408542
5.08_243.0770m/z	243.0770299	5.081633333	neg	N-Nitrosodiphenylamine	70299	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C12H10N2O	-2.453196387	165.1585206	162.6689151	148.0397358	213.2513551	408.9477937	378.5109815	130.9784516	203.1997733	41.21298219	658.7514629	54.62063634	43.50358535	226.9745429	59.88605051	247.8967402	47.91920907	90.0880038	29.61320783	222.6797707
5.20_166.9904m/z	166.9904217	5.202733333	pos	4-Fluorocatechol	71214	Unclassified	Unclassified	Unclassified			39.2	0	M+K	C6H5FO2	-0.734060404	5822.177217	5969.831222	5997.03877	6200.529547	5662.542195	5694.80886	5507.348941	5971.162526	6157.049306	5858.611989	6251.00705	6161.317251	6189.845155	6590.032833	6089.431636	6782.237909	5903.97279	6407.696139	6314.4671
5.73_582.2718m/z	582.2717937	5.730166667	neg	Sodium taurocholate	89529	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C26H44NNaO7S	-0.050688041	222937.7032	231827.7166	229589.3227	198915.7393	243505.6162	318929.1633	188968.837	45596.55372	274645.1568	227200.4921	226566.9438	145511.2674	150966.7613	160403.6386	715049.5248	160608.4613	208913.1866	338533.6885	141378.8178
5.90_227.0894m/z	227.089422	5.899433333	neg	Dacarbazine	540	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acid derivatives			39.2	0	M+FA-H	C6H10N6O	-2.140931202	1607.104914	1779.425538	1702.13503	1905.512823	1750.486207	1292.085054	1462.473561	3101.417626	4365.935222	988.4480962	1966.181699	2601.667582	1318.76675	1576.284984	1547.617896	2241.803049	1371.999803	1216.942686	2320.94251
6.04_273.1707m/z	273.1706889	6.044416667	neg	"Menthone 1,2-glyceryl ketal"	91295	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.2	0	M+FA-H	C13H24O3	-0.257015037	305.3556971	300.6216166	378.9932559	165.3201458	234.2824261	835.5712988	166.3178186	810.4426751	1820.282863	494.2697463	290.1728108	398.0189882	142.2607659	176.1781555	295.3043077	139.7133445	237.097907	136.9330142	61.2821899
6.15_286.1659m/z	286.1659085	6.148066667	neg	Dioscoretine	HMDB0038588	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39.2	1.44	M+FA-H	C13H23NO3	-0.364914059	1259.589511	1574.02337	1643.800538	1004.800191	1571.670978	2001.475626	1225.360014	820.6103913	2775.314807	2907.649771	1570.869884	1528.799249	880.8019012	981.2231517	1022.527592	840.7615485	1459.438281	950.582608	559.5428199
6.50_386.2296m/z	386.2296199	6.49905	neg	DIPROTIN A	44309	Unclassified	Unclassified	Unclassified			39.2	0	M+FA-H	C17H31N3O4	-0.115563596	2916.96558	2884.790316	3204.114855	18260.68958	7708.058951	1495.833024	2715.101187	11072.59538	2337.124647	18666.89927	2939.512292	9058.63312	2105.053778	14269.52654	39588.49602	28503.57892	6886.901626	9197.887449	1950.396014
6.54_347.2438m/z	347.2437542	6.54035	neg	(±)-3-Hydroxynonanoic acid	HMDB0031513	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives	*		39.2	0	2M-H	C9H18O3	-0.454415402	1156.424428	1303.776086	1202.564971	926.9720003	1132.777639	934.2131496	1400.035996	1534.009003	1069.082214	1066.425176	1392.963451	935.6843356	1171.006422	1322.683309	1009.040643	1106.658638	823.3465469	812.9236902	1048.189218
6.93_461.2521m/z	461.2520624	6.9307	neg	Alfentanil	HMDB0014940	Benzenoids	Benzene and substituted derivatives	Anilides		C08005	39.2	0	M+FA-H	C21H32N6O3	0.650079496	575.4197669	753.0882386	576.9588339	1156.571707	0.000297236	196.4431335	926.1891291	0.000297236	0.000297236	634.4919773	945.9201482	114.7654611	141.2857035	478.466771	2804.124703	909.3736937	1958.520186	2984.318471	152.6171623
6.98_257.1392m/z	257.1392234	6.979416667	neg	12-oxo-10E-dodecenoic acid	35783	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C16309	39.2	0	M+FA-H	C12H20O3	-1.055913028	608.2203675	832.0642071	666.9996977	1014.146396	1046.389775	626.3902538	1361.96984	1121.958358	950.3688738	828.3928698	961.3951363	1076.766698	960.0782516	1134.514531	1081.928397	1331.026538	597.9042917	940.6216811	1054.813476
8.00_255.1211m/z	255.1211295	8.003933333	neg	Decarbamoylsaxitoxin	HMDB0038319	Phenylpropanoids and polyketides	"Saxitoxins, gonyautoxins, and derivatives"	Unclassified			39.2	0.201	M-H	C9H16N6O3	0.068271159	2947.399391	2665.384305	2963.135273	2400.373858	2920.352484	1555.319452	1612.927092	2398.951363	3642.951586	1234.329908	2501.288404	2647.832181	2003.39321	1887.556514	4290.084286	2664.843301	2550.429886	2594.71286	3598.422456
8.37_255.1598m/z	255.1598163	8.366083333	neg	Cyclohexanecarboxylic acid	HMDB0031342	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acids	**	C09822	39.2	0	2M-H	C7H12O2	-1.430701036	634.5782753	659.9051695	563.9456317	544.9714764	595.1531032	857.1640108	654.7419916	691.0979321	1123.158274	685.3635544	799.694072	746.0603224	517.6187392	482.8992372	444.1634269	563.2279706	564.9976558	600.4432751	653.6047014
8.43_255.2315m/z	255.2314667	8.429366667	pos	trans-9-palmitoleic acid	LMFA01030057	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates	**	C08362	39.2	0	M+H	C16H30O2	-1.533678961	2695.720375	2925.552239	2637.264789	2993.385097	2964.359479	3058.552176	2811.863914	3068.182631	3069.34949	3029.979976	2954.610266	2379.626867	2614.592093	2851.412396	2938.750224	3001.30828	2884.568118	2998.176974	2768.137446
9.03_190.0496m/z	190.0495775	9.027933333	pos	"1-Nitronaphthalene-7,8-oxide"	HMDB0060332	Benzenoids	Naphthalenes	Nitronaphthalenes	**	C14802	39.2	2.3	M+H	C10H7NO3	-1.544652667	2300.934079	2058.378235	2411.125403	2446.127801	2598.717106	2558.676671	2538.080657	2301.458035	2268.521087	2413.645435	2243.271807	2159.154238	2157.330824	2690.923956	2501.666062	2916.638094	2162.296379	2270.03202	2357.684022
9.92_167.0701m/z	167.0701003	9.92055	pos	Phenyllactic acid	HMDB0000779	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified	***	C01479	39.2	0	M+H	C9H10O3	-1.025878741	3273.456112	3761.448948	3608.878844	3669.739511	3507.272339	3423.606516	3766.074393	3780.25142	3646.144195	3657.180566	3432.278153	3451.492473	3705.801268	3811.128853	3508.02665	4149.083401	3969.661909	3567.271102	3206.147071
0.18_113.0711m/z	113.071101	0.176983333	pos	L-cis-3-Amino-2-pyrrolidinecarboxylic acid	HMDB0029396	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.1	3.46	M+H-H2O	C5H10N2O2	1.243221525	29281.03338	43471.01385	32810.46563	37046.74704	41978.17247	39377.34211	34047.31599	32269.65934	32620.52388	37513.068	42473.38263	40400.20064	35520.69143	29593.70893	31913.79857	32194.15497	27385.69635	31806.77168	28830.31305
0.25_203.1428m/z	203.1428263	0.252583333	pos	"2,6-di-tert-butylbenzoquinone"	85272	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.1	0	M+H-H2O	C14H20O2	-0.978316695	3887.139402	3406.365699	3536.992271	3340.086878	3437.601139	3674.490143	3765.52452	3714.29146	3705.533331	3837.116334	3015.666394	3639.48492	3491.414141	3734.136141	3449.052503	3677.596848	3759.520235	4006.738078	3201.453946
0.27_269.2484m/z	269.2483969	0.266316667	neg	Nonyl octanoate	89730	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		39.1	0	M-H	C17H34O2	-0.765941677	14831.17637	13890.2623	14509.41397	14080.63483	14570.85818	12995.21743	14398.48066	14182.23857	14018.89678	14921.1751	13892.8434	14513.90365	14411.11712	15139.70709	14528.90615	14516.23848	13521.26681	14661.56239	14032.82615
0.37_194.0419m/z	194.0419264	0.374116667	neg	(3-Nitroamino)alanine	HMDB0029398	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.1	0	M+FA-H	C3H7N3O4	0.45504775	3257.961415	3251.537992	5247.978024	5409.753174	5762.379602	3894.714364	3718.795053	3575.236003	3714.11519	4055.630677	3389.075426	3155.455845	3341.373419	3686.904593	3553.986113	3948.585821	3677.542802	5742.68103	4308.554553
0.44_297.0468m/z	297.0468438	0.435666667	neg	Quinalphos	68785	Unclassified	Unclassified	Unclassified			39.1	0	M-H	C12H15N2O3PS	0.068060097	18320.66216	15151.99752	15313.14821	14563.95931	15504.72211	14080.58593	14841.7376	15068.72397	14532.72221	16119.53302	15194.50811	15963.52678	17347.68197	16988.54331	15970.14654	15582.38877	14505.45637	15476.017	14862.79775
0.46_220.1461m/z	220.1460556	0.457466667	neg	CGP 28014	70935	Unclassified	Unclassified	Unclassified			39.1	0	M-H	C12H19N3O	2.350255427	719102.3255	738811.0117	692717.8488	670539.5744	701201.7781	640452.888	688600.3672	662819.3051	679564.9172	726089.5289	695016.6652	687528.3878	646568.931	673281.0426	667892.3241	705095.4412	670884.9683	678782.7735	611907.5889
0.46_241.2167m/z	241.2167441	0.457466667	neg	Cyclotetradecane	89376	Hydrocarbons	Saturated hydrocarbons	Cycloalkanes			39.1	0	M+FA-H	C14H28	-2.852019407	25724.93042	23898.96682	24409.5008	23996.86477	24767.67719	22688.95817	24511.40793	23372.8938	23688.92447	24684.24849	23190.86596	24554.03887	24868.60523	24783.87967	25045.57031	24937.39863	23726.05842	25162.20064	23841.49843
0.46_256.2398n	255.2325718	0.457466667	neg	"4,8,12-trimethyl-tridecanoic acid"	LMFA01020249	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		39.1	0	"M-H, M+FA-H"	C16H32O2	-1.490795292	301267.4418	292678.7924	298369.3546	292625.6934	302127.7554	273852.3977	293934.729	289853.6592	285034.5436	306343.7292	285928.8131	296495.6538	301134.5642	308820.3287	307049.3029	303624.4696	283795.4071	299849.9068	288321.7703
0.52_140.0465m/z	140.0464763	0.52135	neg	2-Aminopyrazine	44987	Unclassified	Unclassified	Unclassified			39.1	0	M+FA-H	C4H5N3	-0.776114438	7950.982327	6279.806662	7075.899588	7073.088582	6957.940753	6203.027597	6650.034884	6568.221385	6292.511455	6920.383618	6315.507771	8567.441738	8501.980269	8456.018731	8191.657586	8135.605161	7177.729507	7635.238812	6900.744867
0.62_246.1457m/z	246.1457086	0.623133333	neg	Ethyl-L-NIO	45488	Unclassified	Unclassified	Unclassified			39.1	0	M+FA-H	C9H19N3O2	-1.099247607	320.0497478	336.3110046	434.4081192	292.1659888	1080.131231	355.2663595	274.142679	92.18771449	226.5277188	820.1279003	409.1593542	165.3366304	308.7161539	462.6210471	416.0402128	131.1239312	628.2965076	221.109494	419.4324276
0.63_234.1447m/z	234.1447366	0.62635	pos	Sakacin P	LMFA08010024	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	*		39.1	0	M+NH4	C9H16N2O4	-0.443879345	5256.504894	4900.283188	4225.606629	3314.420179	10665.525	4885.782795	3940.485916	2593.18738	3698.393706	8267.087604	5253.733026	1446.102078	5954.404016	5776.185658	4194.75605	3818.62746	5981.872155	2937.003568	4538.311382
0.63_333.1214m/z	333.1213713	0.62635	pos	Isoleucyl-Tyrosine	85824	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.1	0	M+K	C15H22N2O4	0.870483444	6179.527957	4845.804081	5104.994948	5418.526885	5569.512355	6223.318119	4356.131958	4328.422815	3645.583954	4694.284447	5090.75149	6432.067526	5669.010662	5036.298223	5423.790646	4463.881577	5949.206459	5695.131375	9047.365742
0.73_246.0501n	245.0428309	0.7299	neg	Phosphatidyl glycerol	186	Unclassified	Unclassified	Unclassified			39.1	0	"M-H, M+FA-H"	C6H15O8P	-1.409075295	216372.6634	213379.2585	230576.4618	245871.5333	223967.314	210778.6583	210096.435	221006.9126	233033.2407	221014.2574	220828.3314	212920.4136	201023.1038	219897.5023	200329.9444	222671.2726	222898.8381	238941.3352	215550.2203
0.80_113.0236m/z	113.0235719	0.798133333	pos	3-amino-propanal	HMDB0062210	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			39.1	0	M+K	C3H8NO+	-2.363654262	867.7911908	781.2842733	1066.948505	1002.01472	1137.491533	399.2194106	1292.03069	1032.314479	378.8303283	526.9275203	1151.231095	772.5221971	1697.330193	2232.555221	769.0483052	744.9268046	668.3938993	390.5865354	348.8123448
0.94_217.0113m/z	217.0112539	0.937716667	neg	Glycerol 3-phosphate	HMDB0000126	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	**	C00093	39.1	5.44	M+FA-H	C3H9O6P	-3.625602913	4631.717549	4530.232332	4621.653065	4124.628568	4864.679988	4858.847142	5843.692427	5507.887318	5441.670887	5703.759555	4069.14392	4367.258245	5566.125701	4135.879946	4568.685157	3751.563516	5082.376069	4019.922625	5910.89087
0.97_217.0471m/z	217.0470759	0.968583333	pos	D-Thevetose	71174	Unclassified	Unclassified	Unclassified			39.1	0	M+K	C7H14O5	-1.154983539	6463.077095	6450.837189	6927.096082	7173.890332	6946.659363	6906.088108	6964.690984	6078.001915	7072.847731	7088.108514	6917.944884	5452.62396	6906.641076	6477.591871	6716.707556	6570.424698	5908.897633	5825.325205	5891.35054
1.04_505.0741m/z	505.0740644	1.043083333	neg	CDP-N-methylethanolamine	65985	Unclassified	Unclassified	Unclassified			39.1	0	M+FA-H	C12H22N4O11P2	-0.367919636	1307.37331	1629.9131	950.7295897	2568.004199	2879.529809	1683.601025	235.6127781	1175.889479	1170.481191	3264.948372	2342.668374	895.0201033	751.6020305	2107.472695	1869.682828	1588.45728	1400.415091	2041.031022	953.975691
1.05_371.1122m/z	371.1121987	1.0453	pos	Glutaminyltryptophan	HMDB0028808	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.1	6.58	M+K	C16H20N4O4	1.7626634	208773.8012	230521.2943	219880.9131	171375.5715	239309.5896	271622.2431	172245.4286	164369.061	183906.1949	271244.1335	183038.1389	167053.7462	277985.1571	244945.8692	223939.5299	252050.7082	217606.7596	193648.3032	281251.5261
1.06_151.0614m/z	151.0614233	1.062216667	pos	N-Cyclopropylammelide	69836	Unclassified	Unclassified	Unclassified			39.1	0	M+H-H2O	C6H8N4O2	-0.083280847	208168.9713	224465.4452	217825.0206	219167.382	218490.2871	181113.2665	192959.4807	165477.4805	155453.029	190141.9469	215180.4419	199077.5805	223138.81	216930.8218	246077.6426	235877.5742	209859.7978	206600.3891	241857.9968
1.06_261.0726m/z	261.0726279	1.063433333	neg	8-Hydroxyalanylclavam	71633	Unclassified	Unclassified	Unclassified			39.1	0	M+FA-H	C8H12N2O5	-0.909171796	6748.945374	7157.224014	6546.457928	5573.317708	5996.216688	6980.680869	5074.955248	11138.38844	11491.23295	5812.911511	5400.987936	22360.22205	6387.1819	6193.284048	4796.518418	5083.686552	5783.334618	5948.477742	6790.009112
1.08_241.1544m/z	241.154363	1.079266667	pos	Cerulenin	LMFA08010013	Organoheterocyclic compounds	Epoxides	Oxirane carboxylic acids and derivatives		C12058	39.1	4.86	M+NH4	C12H17NO3	-1.371356181	57301.88366	57917.95167	56775.59909	51030.5222	68216.76422	57821.38044	50525.42546	102922.0984	68941.75747	46884.73257	39119.94281	73797.23991	48904.40294	48298.88352	47106.77676	48718.12124	49545.79608	42340.3115	44496.45859
1.10_215.0162m/z	215.016167	1.0977	pos	Isocitrate	3328	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	**	C00311	39.1	0	M+Na	C6H8O7	-0.292986866	607.5809702	613.7818817	576.6784178	222.8223478	204.6641365	187.624073	272.8780558	5595.135818	6286.656099	2282.104915	241.9937867	1110.816058	157.0818945	350.0285454	223.335522	247.0001518	534.7505099	243.0017624	215.2178096
1.14_213.1847m/z	213.1846789	1.13905	pos	10-Undecenyl acetate	87350	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		39.1	0	M+H	C13H24O2	-1.072612254	4202.621458	3203.663631	3847.549161	4914.804833	3174.21068	4076.645107	4746.588	4978.083407	4807.071205	4928.151309	4990.009224	4326.652371	3802.510181	3561.062179	3742.235997	4415.232007	4739.944442	4270.980512	3773.666254
1.26_162.0527n	185.0418052	1.25845	pos	"D-1,5-Anhydrofructose"	HMDB0041561	Organoheterocyclic compounds	Oxanes	Unclassified			39.1	3.24	"M+H-H2O, M+Na"	C6H10O5	-0.860105308	15707.07356	16440.63916	15564.65942	10426.24677	21163.54459	8253.973779	9918.522014	83577.63296	22064.65979	6832.807577	9393.460411	20080.65514	14608.95519	11637.53534	9292.444842	8876.639562	10658.37345	12334.63873	11974.49735
1.26_633.1309m/z	633.1309086	1.259833333	neg	Norsanguinarine	HMDB0030176	Organoheterocyclic compounds	Quinolines and derivatives	Benzoquinolines	**	C05191	39.1	0	2M-H	C19H11NO4	0.897785034	39073.68903	35567.52253	43013.39508	38667.98182	53292.42236	40915.36273	55668.42279	19470.76399	22993.98316	54973.75717	37775.72139	7386.189361	39532.41184	36117.93611	47384.17721	39117.41463	32731.49507	33071.23076	39472.69297
1.40_169.0857m/z	169.0857175	1.396783333	pos	5-Butyltetrahydro-2-oxo-3-furancarboxylic acid	87336	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	*		39.1	0	M+H-H2O	C9H14O4	-1.091917745	3290.531073	3541.76746	3559.537233	3519.76254	3446.997688	3878.556239	3259.647167	3923.049294	3475.964416	3709.271494	3332.337404	3807.392027	3978.710124	3702.484766	3982.670536	4012.109316	3357.661027	3740.049668	3378.248708
1.46_298.1062m/z	298.1062377	1.4621	neg	PC(2:0/0:0)[U]	40310	Unclassified	Unclassified	Unclassified			39.1	0	M-H	C10H22NO7P	0.419544696	877.2555131	876.190877	882.6656723	1027.775954	776.8676551	1396.17964	822.6912584	1454.94064	1472.900377	1020.049869	548.864939	561.6227414	678.9925805	680.6333323	621.5348897	614.5754589	662.924692	780.6255626	591.6494314
1.48_325.1075m/z	325.1075222	1.48375	neg	"8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl 3-methylbut-2-enoate"	HMDB0128912	Phenylpropanoids and polyketides	Coumarins and derivatives	Furanocoumarins			39.1	6.23	M-H2O-H	C19H20O6	-1.816366068	10650.18749	11525.69621	10941.5078	11278.39753	11911.93136	16639.43312	12342.3387	18666.58174	13183.73392	12182.34976	8940.853977	12709.26437	11024.68322	9324.365713	6865.695246	7714.530075	7232.238142	8975.701146	9701.985044
1.51_251.1023m/z	251.1023336	1.513233333	pos	Casimiroin	HMDB0033349	Organoheterocyclic compounds	Quinolines and derivatives	Quinolones and derivatives		C10654	39.1	2.68	M+NH4	C12H11NO4	-1.285996074	1646.833133	1552.590177	1613.712097	2174.175098	791.6144799	4894.461783	962.6864384	2205.057895	945.0681333	1693.632029	1735.030545	1055.725872	2458.748197	1208.296471	1608.542892	1412.451531	2385.443065	2944.640686	2190.370441
1.63_127.0503m/z	127.0503017	1.6338	pos	N-Nitrosoproline	HMDB0041946	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C19485	39.1	0	M+H-H2O	C5H8N2O3	0.678983573	2017.74242	1955.121127	1963.13536	2285.16484	1521.467824	1508.8326	1872.933663	1732.08995	2788.906887	1660.579183	1922.475233	3190.000061	1630.256904	2067.440125	2068.019384	1820.525742	1767.039974	1841.829034	2297.097177
1.94_150.0680n	151.0753336	1.94375	pos	Ethyl benzoate	HMDB0033967	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	*	C01839	39.1	0	"M+H-H2O, M+H"	C9H10O2	-0.25446684	44882.08174	42275.2084	43213.3526	41258.46225	40015.03335	43975.88935	43554.04086	44514.74188	46701.23386	44487.1839	47066.49256	43753.08968	43517.67617	43629.0816	45391.44495	43903.7476	44396.97254	44954.07607	40526.90316
1.95_371.0571m/z	371.0570854	1.949816667	neg	Psoralen	67591	Phenylpropanoids and polyketides	Coumarins and derivatives	Furanocoumarins	*	C09305	39.1	0	2M-H	C11H6O3	2.617030513	11744.28379	13041.84437	12517.23441	926.5402276	2960.254193	1524.943997	1076.833702	129563.5342	26248.73512	621.0948031	872.266513	4280.138418	1155.822156	1485.436865	489.9121106	661.732874	774.8888073	1265.555385	1291.591655
10.05_453.1667m/z	453.1666871	10.04785	pos	Magnoshinin	68471	Unclassified	Unclassified	Unclassified			39.1	0	M+K	C24H30O6	-1.71329245	243271.7924	235852.0734	246917.5801	184202.6345	208432.9429	171180.6641	163967.4717	166748.6895	183341.4607	164469.6927	155971.5834	174252.7237	178385.9373	161860.1722	179586.2666	172942.4314	165494.4856	214819.3371	161264.0635
10.25_568.2664m/z	568.2663797	10.25406667	neg	Calcimycin	68980	Unclassified	Unclassified	Unclassified			39.1	0	M+FA-H	C29H37N3O6	-0.112913835	360819.029	336631.5688	352749.8542	430976.2195	415590.8959	452025.98	413904.788	245006.499	287087.8565	412400.8054	400902.162	331405.3936	460129.1952	440688.4733	420580.7422	438159.3536	441407.174	447257.1271	480607.751
10.30_520.2680m/z	520.2679934	10.29658333	neg	"LysoPE(0:0/18:3(6Z,9Z,12Z))"	62266	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		39.1	0	M+FA-H	C23H42NO7P	-0.207844475	24884.51301	22647.39973	25282.85767	26619.20148	21844.99187	29744.49378	27488.01743	20348.26752	21520.76237	19262.38552	25911.23842	25252.16885	29179.43782	26894.05344	29136.58519	28053.54807	30061.52625	29278.54908	37281.23127
10.55_311.2227m/z	311.2227229	10.5516	neg	α-nonylenic acid	34716	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39.1	0	2M-H	C9H16O2	-0.192600409	1242.366306	1048.944619	1018.494006	709.7037144	1557.612971	1555.344147	782.2787792	1972.001902	2041.527246	1190.483608	867.2453812	1059.452852	1223.063653	990.9820015	1132.055394	796.7328268	810.4394108	842.8398897	813.1422315
10.66_267.1963m/z	267.1963057	10.65788333	neg	Farnesol	HMDB0004305	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	**	C06081	39.1	0.35	M+FA-H	C15H26O	-1.18191266	4374.187461	4288.621587	3732.96032	4035.343551	5625.457625	4940.613845	2737.526286	4809.431228	4209.253772	3377.183012	3515.35965	4440.86424	6438.467136	4279.981224	3193.963647	5048.441801	4267.406493	4560.747889	3975.740755
10.69_668.4147m/z	668.414715	10.69353333	pos	3-trans-Caffeoyltormentic acid	HMDB0040650	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	*		39.1	33.2	M+NH4	C39H54O8	-1.505610954	7902.055284	9473.496065	5820.142548	4706.031614	9125.984237	1855.51089	4538.518861	572.7046961	1771.960332	2994.267428	4164.074763	7287.512701	6201.352157	3205.486924	1995.717138	2548.509734	2712.781228	824.9745333	4137.707581
10.98_262.1433m/z	262.14329	10.98355	pos	"3',4'-Methylenedioxy-α-pyrrolidinobutiophenone"	96634	Unclassified	Unclassified	Unclassified			39.1	3.08	M+H	C15H19NO3	-1.837680769	4502.426336	3862.81401	4018.895254	5562.148647	4614.969243	3836.034459	4583.988461	4948.268624	5068.80191	4578.415837	5163.053671	4991.926883	3833.524623	3187.936613	4643.954334	3661.944646	3832.9225	4961.948559	4899.839218
11.44_276.1602m/z	276.1601688	11.44436667	neg	Metazocine	69220	Unclassified	Unclassified	Unclassified			39.1	0	M+FA-H	C15H21NO	-1.507113371	7038.319364	6276.968126	6317.248192	7002.215044	7254.375607	6701.890754	6929.774061	7127.35126	7153.12772	7141.888086	7669.952672	6297.568654	6860.370093	6769.687955	7226.416723	7000.105087	7215.77122	6973.711441	6884.510788
11.93_557.3086m/z	557.3086416	11.93223333	neg	Karbutilate	72240	Unclassified	Unclassified	Unclassified			39.1	0	2M-H	C14H21N3O3	-1.191248862	15102.16999	14784.99169	14403.4764	16473.92431	20703.82175	19918.80664	20597.78379	7339.699829	11757.39304	19191.85052	18157.00064	12637.6122	22981.06413	21249.4069	15164.21976	16231.1174	15555.69563	15447.26175	19687.88022
12.67_325.1840m/z	325.1839766	12.6693	neg	2-Dodecylbenzenesulfonic acid	HMDB0031031	Benzenoids	Benzene and substituted derivatives	Benzenesulfonic acids and derivatives			39.1	2.31	M-H	C18H30O3S	-0.95886371	730091.2412	725255.7242	725196.9667	597055.9155	587501.9185	575246.3933	678988.3226	544679.8767	631846.5883	538061.4179	637323.4373	650779.9533	563215.9339	596018.884	547509.8877	509653.3482	561959.3157	631760.7293	552393.5769
13.27_185.1144m/z	185.1143718	13.26855	pos	N-Cyclopropylammeline	69835	Unclassified	Unclassified	Unclassified			39.1	0	M+NH4	C6H9N5O	-0.979783236	120154.0439	69075.43389	109977.0833	113919.9985	104443.0113	109820.1334	106136.8097	105559.1501	105033.0303	125019.8503	120875.4913	78696.96631	99187.36795	98100.77033	101801.7719	111711.5991	116036.6592	110894.7128	101070.9293
14.19_100.1124m/z	100.1123634	14.19148333	pos	cyclohexylammonium	4139	Organic nitrogen compounds	Organonitrogen compounds	Cyclohexylamines			39.1	0	M+H	C6H13N	2.901164516	1505.336849	1218.777301	1111.993146	1177.422635	1294.581728	1378.301216	1226.110077	1089.294636	1498.9879	1452.094249	1324.968165	1040.815807	1194.818938	1467.702419	1276.154192	1135.159315	1293.471166	1421.105662	1389.700746
14.30_368.9987m/z	368.9987207	14.3008	neg	"Sedoheptulose 1,7-bisphosphate"	HMDB0060274	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00447	39.1	7.57	M-H	C7H16O13P2	-1.666584247	172253.528	175867.2193	171754.6859	176250.228	175569.2605	174795.8228	178708.2471	177395.2054	179045.1859	184938.057	190520.445	169340.0261	159403.9036	168677.4151	174984.7639	185398.3516	168393.785	183654.1051	166088.3196
14.45_151.1227m/z	151.1227027	14.44995	pos	2-Methyl-3-(2-methylpropyl)pyrazine	91323	Organoheterocyclic compounds	Diazines	Pyrazines			39.1	1.73	M+H	C9H14N2	-1.813496905	71216.12805	66265.60185	72742.65954	73492.24521	69851.92106	69745.65831	71837.68277	73341.02895	71575.01102	72145.78991	74038.83359	70165.90177	72179.9731	71133.8772	75868.66366	77344.01952	74384.02897	75603.78639	71866.70758
15.74_107.0606m/z	107.0605575	15.73598333	pos	1-(1-Oxopropyl)-1H-imidazole	65880	Unclassified	Unclassified	Unclassified			39.1	0	M+H-H2O	C6H8N2O	1.474023366	11464.33923	9753.206683	11300.08273	11120.29664	9833.721906	9938.348995	10105.45597	10318.28155	11048.05354	11820.21512	11009.106	9280.939373	9207.177472	9888.182862	11188.14263	12300.7254	10647.47988	11129.18068	9922.607642
2.14_326.1244m/z	326.1244437	2.140316667	neg	"4,5-DIDEMETHYLSIMMONDSIN"	84952	Unclassified	Unclassified	Unclassified			39.1	0	M-H2O-H	C15H23NO8	-0.237094344	25449.22086	25090.70752	25043.18025	27526.02618	24844.53132	21412.38187	22449.10553	36518.92472	37311.12428	22125.51506	25345.98264	34145.86017	20887.11924	24591.04718	23532.50931	23740.81151	22338.82782	24492.46876	25177.47373
2.46_134.0458m/z	134.0458481	2.458216667	neg	Alanine	63614	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00041	39.1	0	M+FA-H	C3H7NO2	-0.373587222	1064.360887	1136.497623	1012.802242	1228.154503	1125.272988	1327.103551	1331.583274	1139.203947	1132.855759	1318.039945	1274.958711	910.024933	977.4618264	939.958342	1032.909842	925.4593054	978.5979981	991.0903026	1010.671512
3.62_470.1428m/z	470.1428103	3.619033333	neg	Norfluoxetine glucuronide	HMDB0061170	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			39.1	3.61	M-H	C22H24F3NO7	-0.849118376	6853.87975	7136.677518	7166.382411	7462.119893	7699.246464	8920.269533	5081.404603	5980.207673	5617.769621	6768.771727	6551.287654	5646.12357	7531.613081	9291.549403	7424.41531	7140.743073	7017.558946	8529.486405	6035.988148
3.74_407.1844m/z	407.1844118	3.742016667	pos	20-hydroxylipoxin A4	HMDB0062748	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		39.1	9.72	M+K	C20H32O6	3.706836472	2734.313672	2881.58521	2980.192481	2922.542375	3009.517074	3602.291991	2456.63732	6140.795813	3206.476411	2951.348648	2626.97167	4360.502983	2003.447836	2198.337221	2247.494013	3749.676718	2067.383853	2213.526229	1919.110897
3.76_134.0459m/z	134.0458512	3.764833333	neg	Sarcosine	51	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00213	39.1	0	M+FA-H	C3H7NO2	-0.338245223	234.8078416	278.5469311	244.7561396	303.8838592	260.6253545	264.8595941	345.9705419	281.8670225	328.9367856	325.5818515	312.9380539	228.5300125	254.6103315	262.669343	240.8094021	239.6754124	220.925428	297.5342323	241.8155745
3.83_199.0941m/z	199.0940646	3.82585	pos	L-Cladinose	69247	Unclassified	Unclassified	Unclassified			39.1	0	M+Na	C8H16O4	-0.085557473	3064.182186	4609.820867	3064.107584	2917.372933	3169.24112	3937.060868	2612.081161	4431.805304	3439.530085	3614.148343	2291.020307	38541.00304	4405.782786	5911.611124	3831.937029	2861.316613	2799.686883	3053.946597	2652.714188
3.87_270.0792m/z	270.079211	3.868866667	pos	BBT(OAc)2	LMFA12000344	Lipids and lipid-like molecules	Fatty Acyls	Oxygenated hydrocarbons			39.1	4.95	M+NH4	C12H12O4S	-0.969696286	1027.06023	1129.543886	1005.500557	59.03383564	0.000297236	0.000297236	0.000297236	313.8589417	1742.885328	64.06048583	0.000297236	16871.11519	1265.789489	265.8403651	0.000297236	0.000297236	56.28119072	0.000297236	259.7339555
3.89_239.1032m/z	239.1032441	3.892883333	neg	6-Hydroxypseudooxynicotine	63885	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C01297	39.1	0	M+FA-H	C10H14N2O2	-2.506170697	118.4738662	158.8728558	162.8470531	30.40245478	43.93788484	1092.411186	0.000297236	0.000297236	28.80739376	1038.366231	25.44830181	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	25.81171269	0.000297236
4.12_316.1764m/z	316.1764202	4.119566667	neg	N-(3-hydroxy-decanoyl)-homoserine lactone	LMFA08030037	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			39.1	0	M+FA-H	C14H25NO4	-0.519664003	594.2509592	540.0440414	604.2731976	94.30260717	295.4802683	827.1313797	100.4494011	4110.212405	2678.586997	433.4518086	267.1144559	632.0686407	115.9642704	113.2903773	77.2155855	256.1985854	35.87668865	184.8747622	136.3139449
4.16_214.1077m/z	214.1076545	4.161483333	neg	1-hydroxyoct-3-enoylglycine	HMDB0094733	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.1	3.69	M-H	C10H17NO4	-3.84474852	3933.306132	4322.505036	4023.881478	3100.052066	5509.35534	3550.827736	3249.15853	7046.524719	5228.003122	3079.447266	3123.028913	3405.521397	3718.643266	3971.930822	4127.850335	2685.371589	4174.066498	2760.894764	4372.382283
4.52_532.0037m/z	532.0036613	4.5199	neg	Carbovir Triphosphate	HMDB0061723	"Nucleosides, nucleotides, and analogues"	Nucleoside and nucleotide analogues	Unclassified			39.1	0.044	M+FA-H	C11H16N5O11P3	-0.93998071	4050.698045	3679.811187	3549.527418	6479.916052	3420.98752	2006.434951	3407.594067	3615.117939	3302.750578	1511.923975	3731.744512	4010.295976	2424.279571	3424.983931	3160.088577	3001.225375	4552.459774	3947.310318	2438.373579
4.92_120.0808m/z	120.0808172	4.92085	pos	"4-Hydroxy-2,6-dimethylaniline"	HMDB0060681	Benzenoids	Phenols	Cresols	**	C16570	39.1	0	M+H-H2O	C8H11NO	0.302608511	1310.671186	1201.221655	1225.378907	1485.498006	1150.45833	1489.110545	1165.684482	1289.378105	1093.348165	1224.299967	1074.695592	1211.157777	1268.042424	1190.322701	1393.769692	1164.871827	1380.452528	1433.403079	1836.977719
5.00_181.1220m/z	181.1220328	5.003183333	pos	"formyl 2Z,4E,6Z-decatrienoate"	97205	Unclassified	Unclassified	Unclassified			39.1	0	M+H	C11H16O2	-1.51771131	1997.675302	2240.315772	2187.711698	2413.470962	2215.819917	2163.376691	2000.573124	2210.04793	2388.139032	2168.84724	2386.790779	2085.327273	2257.414804	2326.015317	2309.77024	2383.771603	2293.156493	2420.894919	2191.542173
5.08_287.1460m/z	287.1459563	5.0822	pos	Histidinyl-Asparagine	HMDB0028880	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39.1	0	M+NH4	C10H15N5O4	-1.015128465	4099.75021	5647.546186	4072.749386	3021.179442	4609.87998	4301.38827	6555.420626	6088.475777	5018.892482	3734.406746	5982.622117	6326.438165	5470.137793	6213.206355	4222.992634	4364.814443	4100.47122	3633.761017	6600.852125
5.19_272.9106m/z	272.9105704	5.189216667	neg	Orthoperiodic acid	HMDB0034831	Homogeneous non-metal compounds	Halogen organides	Halogen oxides	*		39.1	2.35	M+FA-H	H5IO6	-3.151975618	1552.512694	1777.748904	1491.481441	187.2140804	98.52342518	118.2212824	108.4832876	10247.45324	10094.56765	217.450196	68.56104783	5626.63268	129.9571885	109.458314	96.92598129	185.8783402	127.5088358	166.7253045	119.955471
5.58_182.1174m/z	182.1173719	5.578866667	pos	4-(4-Hydroxyphenyl)-2-butanone	HMDB0033723	Benzenoids	Phenols	1-hydroxy-2-unsubstituted benzenoids	***		39.1	0	M+NH4	C10H12O2	-1.116862822	555.3797674	611.2303925	625.2817955	844.8178309	418.7024431	641.5542718	452.5110093	1034.283265	1171.447858	545.314229	423.9138777	637.5981959	474.3791845	295.1504281	475.7870336	436.1368476	568.3850394	638.9596555	544.0817256
5.84_313.1194m/z	313.1194428	5.835483333	neg	N-Butyl-beta-carboline-3-carboxylate	69712	Unclassified	Unclassified	Unclassified			39.1	0	M+FA-H	C16H16N2O2	0.231741322	1249.54566	1128.879054	968.2794855	742.8106444	2465.271965	1541.843741	973.8516474	1053.87346	1151.301117	1587.526438	967.0540693	1406.172864	881.3897734	951.9475076	1127.790189	1313.526057	1315.434099	1373.193769	1574.001482
5.96_384.9942m/z	384.9942378	5.96125	neg	"D-Fructose 2,6-bisphosphate"	HMDB0001047	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00665	39.1	0	M+FA-H	C6H14O12P2	-0.041705247	1107.083174	1028.841036	1121.807549	77.81908645	68.17446687	216.8488223	139.4944741	5365.669001	4342.059642	78.13815779	485.6087656	1784.619891	205.5440806	146.8426654	138.4989224	0.000297236	0.000297236	235.0140815	103.1899695
5.98_267.1237m/z	267.1236755	5.981116667	neg	Dehydrovomifoliol	HMDB0036819	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*	C04223	39.1	0	M+FA-H	C13H18O3	-0.54818805	426.5045218	434.5461752	459.1860034	394.1852414	265.5679995	434.3294786	782.6793421	609.5614014	634.5322545	865.4727131	608.0040736	917.2759303	509.6759503	791.0406416	983.4725774	633.3639783	199.1029426	243.7165683	1646.119845
6.72_589.1621m/z	589.1621164	6.7244	neg	Piperolactam D	93250	Alkaloids and derivatives	Aristolactams	Unclassified			39.1	0	2M-H	C17H13NO4	0.808236738	6427.614489	6818.108093	6273.035975	4510.595828	4785.267297	4077.184672	6795.05555	3851.863125	14838.32646	5187.912449	4839.083899	9169.24059	19516.82527	4603.825968	3529.671894	4507.822581	9353.876021	6055.587284	6491.798049
6.75_241.9647m/z	241.9647463	6.745816667	neg	Gold	HMDB0004138	Homogeneous metal compounds	Homogeneous transition metal compounds	Unclassified			39.1	0	M+FA-H	Au+	-0.128436683	1312.223055	1300.730574	1642.806577	1512.515347	1705.147072	1441.502158	1805.410769	1430.284364	1399.088684	1397.326897	1556.656319	1556.951544	1681.924588	1623.828957	1329.947029	1482.183158	1502.062056	1515.916379	1305.494854
6.98_232.9856m/z	232.9856329	6.979416667	neg	Perflutren	HMDB0014696	Organohalogen compounds	Organofluorides	Unclassified			39.1	0	M+FA-H	C3F8	1.086784065	1767.516564	1968.487678	1622.663567	2025.201102	1747.686591	1658.364257	1956.392548	1403.447937	1777.761345	1959.609471	1778.63455	1940.842956	1920.352869	1775.988892	2043.137364	1721.643948	1836.433543	2216.406646	1848.960024
7.00_313.1194m/z	313.1194041	7.001133333	neg	Lysergic acid	66676	Unclassified	Unclassified	Unclassified			39.1	0	M+FA-H	C16H16N2O2	0.087700392	3268.833917	3939.237838	3277.323054	2589.864827	5477.109835	3147.184599	2762.321255	2170.070493	2173.899203	4126.622767	2038.881825	3104.260438	1756.635412	1679.428589	2856.906078	3066.770807	2358.943855	3138.637188	3180.609223
7.00_445.1141m/z	445.1140575	7.001133333	neg	N-Acetylphosphinothricin	63588	Unclassified	Unclassified	Unclassified			39.1	0	2M-H	C7H14NO5P	-1.310040875	1487.660619	1604.665387	1082.501938	1948.714963	1333.307621	1139.949792	1615.446496	1296.590039	1325.255377	1116.911578	1646.331015	1413.09032	1372.230332	1310.277296	1472.15068	1213.503453	1440.967528	1204.289433	1143.032977
7.15_213.1094m/z	213.1093626	7.14945	pos	"2-Amino-4-hydroxy-6-(hydroxymethyl)-7,8-dihydropteridine"	3335	Unclassified	Unclassified	Unclassified			39.1	0	M+NH4	C7H9N5O2	-0.448635594	4777.000674	5805.694461	3732.704143	4064.687922	3358.525068	3174.104177	3767.831301	3449.932207	3471.760193	5504.083886	4534.338991	4577.736552	4885.440022	4111.702166	4206.621923	4353.458311	3706.658522	3900.05586	3730.559102
7.49_404.2652m/z	404.2651844	7.4858	neg	3-hydroxydodecanoyl carnitine	HMDB0061638	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.1	0	M+FA-H	C19H37NO5	-0.533789519	437.2720409	558.5500798	467.0387249	334.7921185	856.8557022	809.8677844	213.1984349	1389.430064	1962.348285	573.9103734	343.1510871	1246.339344	419.0043734	580.3995676	440.4758391	295.5225836	286.4200857	218.9236128	318.4417924
7.99_266.1397m/z	266.1396673	7.990466667	neg	2-(diethylamino)-4'-hydroxy-Propiophenone	2020	Unclassified	Unclassified	Unclassified			39.1	0	M+FA-H	C13H19NO2	-0.51747756	1516.738468	1021.866044	1170.115758	1051.129701	1478.431973	868.0646475	1420.131969	441.2066931	423.3745089	1415.054653	1296.766285	645.6347307	1304.55918	1399.507275	1472.282724	1215.257348	1712.303603	1957.233261	1414.455502
8.23_190.0496m/z	190.049592	8.229183333	pos	"4-(2-Aminophenyl)-2,4-dioxobutanoic acid"	5916	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C01252	39.1	0	M+H-H2O	C10H9NO4	-1.340505094	3240.002047	2828.13863	2797.279334	3015.254802	2754.578861	2775.008848	2822.699882	3093.841554	3074.74587	3114.705378	3128.579764	2665.461598	2902.423532	2994.286508	2959.961446	2972.973064	2964.559711	2993.425014	2676.116679
8.81_156.0208m/z	156.020814	8.807	pos	4-Ethynylaniline	4113	Unclassified	Unclassified	Unclassified			39.1	0	M+K	C8H7N	-1.651072196	4962.975678	5457.867473	5144.998132	5386.926221	4933.249702	5084.420282	5196.813582	5150.292387	5050.652361	5096.981873	5531.035204	5557.497684	5353.051451	5376.687162	5817.137431	5652.328529	4933.280178	5521.930134	5024.640019
9.07_388.2705m/z	388.2705335	9.06845	neg	L-Octanoylcarnitine n-butyl ester	3547	Unclassified	Unclassified	Unclassified			39.1	0	M+FA-H	C19H37NO4	0.209538399	1981.45421	1850.504768	1936.896249	1517.527313	2089.963276	1173.595982	2052.208754	2049.188342	4694.552317	985.4910131	2502.235914	3533.766613	1436.329153	1575.125599	1252.353586	1758.835218	706.8300864	1148.273436	1737.410028
9.11_356.1715m/z	356.171467	9.111633333	neg	Uplandicine	68316	Unclassified	Unclassified	Unclassified			39.1	0	M-H	C17H27NO7	-0.024672644	1931.974629	2478.581625	2074.324701	1707.467646	2804.407412	1562.050683	2480.062021	2598.694189	2692.814678	2548.231539	2389.10601	1911.592557	1815.803393	2457.950632	2820.608077	2092.181878	1382.489919	1633.376841	1735.413684
9.13_181.1221m/z	181.1221191	9.128083333	pos	"formyl 2E,4Z,6Z-decatrienoate"	97204	Unclassified	Unclassified	Unclassified			39.1	0	M+H	C11H16O2	-1.03855416	2095.537922	2489.952674	2181.683721	2278.445579	2254.861154	2295.961433	2186.554145	2250.4745	2238.913336	2023.028153	2404.299444	2502.184833	2254.380778	2075.360689	2278.312678	1757.227625	2263.747225	2165.900539	2263.920186
9.54_330.2457m/z	330.245718	9.537783333	pos	EPA (d5)	45772	Unclassified	Unclassified	Unclassified			39.1	0	M+Na	C20H25D5O2	1.736000314	1768.831241	1945.406316	2267.699666	1790.056948	2099.277955	2507.974033	2414.428805	2129.240998	2829.56228	1639.83779	2680.445706	1905.756649	2182.055747	2776.198707	2293.604144	2083.474608	2685.122201	3260.505063	2242.944005
9.64_451.0994m/z	451.0993628	9.6446	pos	RUTILANTINONE	43848	Unclassified	Unclassified	Unclassified			39.1	0	M+Na	C22H20O9	-1.378295801	29027.6746	37144.99174	30207.78887	32168.94735	28813.61386	26977.69161	33894.99539	29421.74344	27949.85414	32595.40624	29283.7921	36411.84466	33106.40743	33275.77197	36656.38044	33863.30164	32677.4878	29464.33792	29497.05161
9.73_121.1012m/z	121.1012182	9.7295	pos	"(2E,6E)-2,6-Nonadienal"	87534	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		39.1	0	M+H-H2O	C9H14O	0.299366124	3700.750336	3281.930171	3284.630095	3714.189937	3439.576299	3509.110037	4246.73622	3741.756897	3500.259832	3669.295656	4512.7046	3819.698567	3682.673226	3517.080976	3751.147942	3773.951643	3228.808333	3309.500006	3530.606423
9.79_186.1850m/z	186.1849981	9.7934	pos	"(+/-)-trans- and cis-4,8-Dimethyl-3,7-nonadien-2-ol"	88287	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39.1	0	M+NH4	C11H20O	-1.44330153	1234.956299	1001.972663	1153.079876	982.0902489	1322.762478	1035.68744	1667.000787	1496.106952	1510.557434	1043.767479	1401.329784	1248.397445	816.5912415	734.0212348	643.6358386	1354.452324	1172.281567	1205.189373	1294.106709
9.79_335.2229m/z	335.2229004	9.79065	neg	cis-3-Hexenyl crotonate	HMDB0032319	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39.1	0	2M-H	C10H16O2	0.349026973	805.7527398	1253.962427	877.4393408	616.9350714	829.9215316	1055.558567	800.9244069	991.6461264	471.8620516	507.3835336	368.0795525	1490.054278	902.2590899	1199.615472	1175.504058	772.1055172	673.2801657	776.2205507	850.672936
9.96_446.3260m/z	446.3259671	9.963066667	pos	"25-Hydroxyvitamin D3-26,23-lactone"	HMDB0060126	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	*		39.1	5.4	M+NH4	C27H40O4	-1.209853054	5253.887569	6733.241332	6091.728801	7898.351061	6831.533735	10225.66716	6695.750881	5390.852836	7906.39434	8155.982425	7240.882641	6455.770387	10455.82788	8553.395439	4674.185657	4820.552955	5007.40152	4975.997336	8612.924575
0.09_115.0392m/z	115.0391608	0.086083333	pos	Glutaric acid	3254	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives	**	C00489	39	0	M+H-H2O	C5H8O4	1.440982474	4425.566762	4892.359828	4056.249806	3976.000259	4067.149365	4175.064214	4214.933802	5069.504933	4027.325267	4029.360786	4665.447353	4482.829643	4098.750042	3785.058503	4556.111514	4485.818407	3664.6188	4741.128249	4058.223082
0.14_214.1931n	237.184575	0.140683333	pos	Tridecanoic acid	HMDB0000910	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C17076	39	0	"M+H, M+Na"	C13H26O2	-0.863371551	81685.5293	74652.84907	78142.85181	79665.17777	77349.56435	83493.32263	83015.86038	82545.05026	78945.8629	84873.11455	85596.78444	71885.59538	74137.48451	74658.60704	79147.1289	81728.45281	77661.57509	84637.766	78260.42064
0.42_103.0756m/z	103.075634	0.418316667	pos	Isovaleric acid	109	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C08262	39	0	M+H	C5H10O2	2.723758486	14555.36168	13677.75599	13789.99295	13796.64621	13073.2117	13780.08684	12968.09591	13530.86908	12894.50523	13668.07131	14961.08423	13437.22888	13307.29649	11880.55557	12841.64365	12999.04542	12143.2093	13833.16868	12519.27039
0.44_167.0337m/z	167.0337035	0.439416667	pos	Demethylphosphinothricin	63600	Unclassified	Unclassified	Unclassified			39	0	M+H	C4H9NO4P	-2.965603345	37238.40892	32298.76898	34888.77793	36810.2876	35402.02234	37211.02695	37863.96563	40110.27419	36318.76405	38794.58442	39088.46224	31541.52883	33435.87002	34438.43649	35763.30935	35740.42283	35115.47332	37915.45561	35137.36357
0.50_235.1697m/z	235.169709	0.499683333	neg	"1-Ethyl-3,5-diisopropyl-benzene"	HMDB0059739	Benzenoids	Benzene and substituted derivatives	Cumenes			39	0	M+FA-H	C14H22	-3.38918132	44279.64334	43230.79704	45180.71316	39276.99203	42854.61986	37320.28998	41387.40321	39770.52743	40077.43938	41692.00783	40514.45706	39934.68838	38090.24365	40275.70487	39671.05071	40902.24953	39605.44213	41284.3275	38391.80717
0.52_249.1492m/z	249.1492027	0.52135	neg	Abscisic alcohol	HMDB0039635	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		39	12.5	M-H	C15H22O3	-1.660607927	29662.11346	21756.13639	25041.27008	23275.01098	23554.44494	21248.2845	22292.17082	21637.04281	21544.40814	23079.9081	21238.56985	28024.12245	31241.11977	35026.54008	32764.39543	29148.93513	26036.1076	26164.5404	24243.29461
0.56_125.8978m/z	125.897767	0.5628	neg	Iodide	HMDB0012238	Homogeneous non-metal compounds	Homogeneous halogens	Unclassified	**	C00708	39	0	M-H	I-	4.495230919	212.9151027	170.8336145	129.9547471	174.3491209	194.0230347	167.379097	227.8227495	203.5359388	128.6558386	195.5877094	186.2876836	233.3031869	137.9700808	155.2881065	210.4539658	263.4522534	195.3031947	134.7870034	150.7838902
0.62_239.1144m/z	239.1144192	0.623133333	neg	3-Mercapto-2-methyl-1-butanol	HMDB0032373	Organosulfur compounds	Thiols	Alkylthiols			39	0	2M-H	C5H12OS	-0.318192856	791.0183459	1155.925128	1060.265848	533.9424949	1723.312331	790.4065931	591.6273928	4690.067002	2610.041017	897.5648861	321.6144162	1356.314367	537.081375	751.154552	389.8913398	256.2769271	417.3974386	257.8660771	491.6075605
0.66_251.0306m/z	251.0306212	0.660716667	pos	(-)-Dioxibrassinin	HMDB0038634	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39	9.64	M+H-H2O	C11H12N2O2S2	-0.410915508	75328.17341	64757.71071	64272.3371	61814.78784	70414.46008	63556.80852	64176.93384	123491.5909	84709.12634	69496.4296	51640.35274	114669.7729	60365.19853	74458.07368	63528.97327	67513.58205	61488.69819	61292.93943	79118.71383
0.68_164.0082m/z	164.0081608	0.677733333	pos	O-Phosphoethanolamine	HMDB0000224	Organic acids and derivatives	Organic phosphoric acids and derivatives	Phosphate esters	**	C00346	39	0	M+Na	C2H8NO4P	-1.093935434	16922.97781	20463.73314	22307.08438	16679.72464	17684.55084	16087.17137	26603.33951	20941.18374	17733.36115	16527.18805	23724.20365	13568.91346	21147.12316	19263.72504	17179.39032	20049.8992	20449.55157	14261.78513	22577.62233
0.70_132.0656m/z	132.0656088	0.695266667	pos	"2-Hydroxy-2,4-pentadienoate"	63523	Unclassified	Unclassified	Unclassified			39	0	M+NH4	C5H6O3	0.782220206	196585.3508	216075.9497	210699.6107	175682.8035	170263.8739	157307.1304	199730.0991	141862.9415	194528.3241	168690.6629	190083.095	412891.9206	225164.3811	270026.1233	144990.9386	151491.7452	199782.0768	226693.7582	252413.8694
0.70_280.0918m/z	280.0917753	0.695266667	pos	Cinoxacin	HMDB0014965	Organoheterocyclic compounds	Diazanaphthalenes	Benzodiazines		C08052	39	8.23	M+NH4	C12H10N2O5	-3.898622874	25278.18257	33181.96196	36819.24202	13011.19874	47795.40233	28461.62302	47983.63944	16186.42772	12831.23261	50420.76608	14142.45158	8569.108334	97701.29779	43414.21292	147120.1758	21131.33017	55877.05804	9050.720417	19064.61647
0.70_318.0497m/z	318.0497468	0.695333333	neg	5-Hydroxymethyldeoxycytidylate	63411	Unclassified	Unclassified	Unclassified			39	0	M-H2O-H	C10H16N3O8P	0.257401453	220957.898	223132.8634	226891.6768	290234.2487	235823.3128	495925.7069	154471.098	348382.589	346322.9051	263408.3142	243592.7106	245775.2175	193156.1198	147612.2635	150856.7613	188613.3948	133637.6338	162863.7724	132743.8395
0.71_113.0001m/z	113.000084	0.712233333	pos	Hydroxymethylphosphonate	63590	Unclassified	Unclassified	Unclassified			39	0	M+H	CH5O4P	2.341966344	48450.45556	49115.90376	46948.75839	66843.43333	34709.20497	50400.27985	49545.70184	45368.827	36803.83232	40636.83722	52401.2545	21742.42468	45207.27194	41090.48074	62519.4604	75665.47368	47568.71971	71294.39523	43114.41891
0.71_244.0223m/z	244.0222969	0.712816667	neg	O-Phosphohomoserine	HMDB0003484	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C01102	39	0	M+FA-H	C4H10NO6P	-2.41000916	302713.5884	334436.8853	328072.1735	348571.5486	268862.5539	275761.2834	344609.4481	256585.522	311993.4228	310260.373	362511.3572	337580.2036	308543.3389	366488.8158	349094.5786	381870.4122	357468.3413	372137.0903	376686.2303
0.71_391.1096m/z	391.1095868	0.712816667	neg	Gluconic acid	HMDB0000625	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	***	C00257	39	0	2M-H	C6H12O7	0.657480867	32572.81226	29168.9588	25095.83399	44656.89627	39311.59773	118294.0334	29050.05061	19965.28745	19862.01054	37325.41734	24256.72946	28307.94476	47996.09674	25336.59757	19407.24096	16942.12699	11414.54578	14311.28134	21821.70058
0.73_146.1175m/z	146.1174614	0.729216667	pos	3-Dehydroxycarnitine	HMDB0006831	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C01181	39	0	M+H	C7H15NO2	-0.646409288	76464.36734	81815.62119	76429.34234	70895.19557	90084.50352	90215.21267	70570.92469	90255.95498	89068.71923	85766.62806	71538.6156	105660.5245	71567.95581	81246.91316	69334.33176	77156.38683	81107.19991	70318.89073	81703.54772
0.73_182.0788n	205.0680434	0.729216667	pos	Galactitol	HMDB0000107	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01697	39	0.622	"M+H-H2O, M+Na"	C6H14O6	-1.207764883	60757.62561	67811.55389	62731.66426	4301.26382	120208.8394	51889.53709	32010.30074	18750.58828	43263.00491	101619.896	10013.37382	5715.536219	149863.948	120677.9512	127969.1059	16928.62184	71674.69257	36144.05661	100508.7944
0.75_217.1181m/z	217.1180855	0.7465	pos	"2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one"	90504	Organoheterocyclic compounds	Azepines	Unclassified			39	0	M+NH4	C9H13NO4	-0.994005262	5893.462145	6872.429743	4882.472961	3620.107469	11756.95352	4841.563238	6289.867741	2888.187041	4517.997476	13902.29822	6982.061346	795.1512323	7633.151795	10115.14889	8786.795884	5653.84398	6549.93753	4068.040939	7086.160067
0.75_356.1197m/z	356.1196702	0.746966667	neg	"1,7-Dimethylguanosine"	HMDB0001961	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			39	6.08	M+FA-H	C12H17N5O5	-4.825651556	72465.44752	73897.66427	72222.66756	62943.78645	73275.75578	67015.17298	70699.17702	84661.3948	76317.32909	76019.91583	77577.75095	80626.72686	55868.53319	68035.86411	65535.78765	66441.48063	69782.02292	72912.6377	80285.93347
0.78_226.9958m/z	226.9958314	0.781716667	neg	2-Oxo-4-phosphonobutanoate	63606	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C4H7O6P	-2.176249159	221370.706	174218.8037	181967.4384	178092.0684	189913.7143	131437.5565	251920.1684	128797.1589	157054.8355	174124.8404	194010.6265	103147.1748	263626.2608	223816.6919	215696.0786	241726.8993	193089.5413	178700.715	164969.6302
0.82_337.1075m/z	337.1074698	0.819	neg	Coumatetralyl	71356	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C19H16O3	-2.319027288	5770.798756	8615.887434	8369.954796	5803.805107	3625.199108	7184.737135	4075.748096	5011.586463	4605.998911	6497.461456	11633.67645	4506.157768	5853.316913	7760.832415	9209.745335	8785.194282	6426.381964	5456.500119	11183.49128
0.91_271.0009m/z	271.0009379	0.911233333	pos	"4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one"	HMDB0032659	Phenylpropanoids and polyketides	Coumarins and derivatives	Furanocoumarins			39	3.43	M+K	C12H8O5	2.613774991	46069.96988	39904.48076	45859.05173	37859.40762	45588.67079	50709.66355	36551.29338	37258.54043	37472.71513	51029.99656	35046.633	58521.79814	44965.11449	41257.1191	45322.6982	39884.32209	40703.79604	40601.55681	43060.64106
0.93_362.9881m/z	362.9881073	0.929766667	pos	5-O-(1-Carboxyvinyl)-3-phosphoshikimate	3454	Unclassified	Unclassified	Unclassified			39	0	M+K	C10H13O10P	0.975169695	4218.85992	4923.242184	4081.992891	3768.850409	4547.043772	4782.005951	3824.852449	3261.751887	3676.600413	5522.453808	2798.156791	6781.936416	4480.607636	5192.378442	4526.158961	3853.235303	3870.172865	4228.246848	4285.231107
1.03_111.0443m/z	111.0443321	1.026666667	pos	Methyl 4-oxo-2-pentenoate	265043	Unclassified	Unclassified	Unclassified			39	0	M+H-H2O	C6H8O3	2.157320255	4041.799659	4689.846663	4158.807477	4063.98874	3721.105093	3729.699414	4135.940188	5421.294832	6142.0945	5087.139216	5553.442603	4101.291912	3845.230507	4326.869771	4314.456172	3912.726259	4389.784248	3835.114841	3794.589922
1.14_124.0968m/z	124.0967996	1.13905	pos	Diethylene glycol	70263	Unclassified	Unclassified	Unclassified			39	0	M+NH4	C4H10O3	-0.189352644	86.71010672	49.03452653	68.31869507	64.77843298	48.69845903	56.21038336	151.9435648	152.4818923	176.2823506	49.99242132	183.9952286	183.8085852	67.54669707	41.97622954	77.84894231	84.45313906	44.80858262	74.91144546	0.000297236
1.14_258.1459m/z	258.1459101	1.13945	neg	Propenyl-L-NIO	45344	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C10H19N3O2	-0.092059944	528.8373112	750.3443294	597.2817827	405.1778732	796.8387538	491.4527786	1263.941211	227.8379406	196.2327769	816.5223194	649.94961	127.7254982	939.4114886	923.2560042	766.7270261	683.6097475	815.693462	211.9981193	884.1292796
1.18_474.0919m/z	474.0918821	1.1797	neg	Chondroitin 6-sulfate	5570	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C00635	39	0	M-H	C15H25NO14S	-0.877544122	7981.781775	9324.619001	10697.75875	9928.78761	10048.27651	10943.82478	10999.24935	10430.41028	9013.879665	10441.62934	9643.3042	8110.712302	10977.13822	9797.620499	7798.346085	9761.430653	10740.61174	8423.889262	10173.5607
1.20_336.1300m/z	336.1299805	1.199216667	neg	Streptobiosamine	66705	Unclassified	Unclassified	Unclassified			39	0	M-H	C13H23NO9	-0.072465168	1004.19878	1002.943165	959.2768592	1088.960612	1497.577188	839.8760823	1039.735412	922.3201715	437.7755859	931.1526334	837.7843424	1043.510209	1019.738608	810.6836199	977.5955303	1443.035976	1122.978751	1038.633336	1710.789147
1.22_187.1326m/z	187.1326474	1.219283333	pos	3-Hydroxy-5Z-octenyl acetate	HMDB0030369	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		39	7.2	M+H	C10H18O3	-1.200751853	5269.181146	3984.08317	4744.069247	5403.750882	5036.324876	5788.858944	6160.622628	5672.66914	5172.527699	4473.537266	5849.969162	4383.361092	4532.280894	4705.229403	5740.787476	4620.621909	5182.586795	4384.25919	5240.659785
1.22_383.0473m/z	383.0472736	1.220333333	neg	Diketogulonic acid	HMDB0005971	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C04575	39	0	2M-H	C6H8O7	1.418563653	1712.542557	2085.475521	2030.527091	2115.834794	1634.11107	1917.148219	2115.562149	653.7126016	841.1584746	2296.505494	1954.799297	1392.169506	2749.069868	2644.640859	2591.4793	1827.144308	2091.076842	2306.810586	2304.720196
1.24_123.0805m/z	123.0804585	1.239083333	pos	1-Methoxy-4-methylbenzene	HMDB0032076	Benzenoids	Phenol ethers	Anisoles	*		39	0	M+H	C8H10O	0.1401577	1916.268702	1304.059107	1693.385927	2473.923139	2095.167132	2110.774678	2087.131366	1580.156126	1804.040808	2206.401554	2301.440861	1463.258851	1575.451571	2032.862203	1426.085967	1994.972153	1942.87697	1893.270862	1307.249867
1.26_709.1130m/z	709.1130006	1.25845	pos	5'-Phosphoguanylyl(3'->5')guanosine	72013	Unclassified	Unclassified	Unclassified			39	0	M+H	C20H26N10O15P2	0.41061529	12495.29946	12001.94886	13895.64734	0.000297236	37029.72671	12959.26563	29757.75818	0.000297236	2691.571671	44750.26132	18978.79088	1277.369729	17776.43555	17044.34505	16909.07149	10721.42869	24892.00927	2787.250737	9938.273026
1.28_403.0482m/z	403.0482115	1.278416667	neg	"1,2-Glyceryl dinitrate glucuronide"	1583	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C9H14N2O13	1.173304717	139334.5051	150193.0762	164787.6758	178130.0597	137630.0686	167094.6467	166840.2732	140304.3597	153110.5276	153853.5383	162221.0296	111434.1326	145917.2534	127994.126	150374.8129	156135.2688	149049.4155	171630.5925	156839.3909
1.38_127.0391m/z	127.0390986	1.375966667	pos	2-Methyleneglutarate	63876	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39	0	M+H-H2O	C6H8O4	0.889166842	2146.869425	2251.815753	1975.740377	2132.595821	1932.303738	2184.716415	1775.133405	3165.901665	2726.751019	2081.742511	1908.370166	2438.12074	2055.728169	2208.020162	2179.473838	2086.13364	2058.794438	2024.070757	1986.140777
1.42_266.0894m/z	266.0894137	1.420133333	neg	2-Deoxysepiapterin	5378	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C9H11N5O2	-0.288718558	607.8688434	574.9212823	576.0480487	619.6978028	464.6853629	318.4947025	498.9249784	881.8555776	1131.017729	377.175447	509.1528641	1226.946605	444.7230467	398.6732045	627.2590912	657.1549831	420.0291126	631.02806	466.2111678
1.48_315.0836m/z	315.0835558	1.48375	neg	Chloramphenicol alcohol	638	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C11H14N2O6	0.617496421	2565.283915	2654.686553	2688.488095	3225.272924	1906.653405	1376.548932	3047.584177	3046.652639	2652.508286	1590.324353	2762.049752	4134.206253	2989.452448	2595.810057	2522.27544	2127.269312	2553.071918	2073.870764	2701.554953
1.48_433.1575m/z	433.1574678	1.48375	neg	Glutamyl-Alanine	85726	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39	0	2M-H	C8H13N2O5-	-0.342686773	743.8935144	878.6987803	970.4725831	594.0880717	1203.104474	1307.260363	985.4104433	1775.895915	1392.102749	1261.065051	982.9185958	1008.169807	630.8567127	950.3509563	610.5144055	627.5083653	632.5192098	624.3952748	743.651609
1.53_271.0823m/z	271.082312	1.526883333	neg	"4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid"	HMDB0041679	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives	*		39	0	M+FA-H	C11H14O5	-0.063801996	311.3683115	283.4232603	406.2469509	208.2234656	572.0373076	1109.072209	227.3848204	204.3980696	100.7854366	822.1783929	195.5239056	218.6754009	530.7618199	512.3913562	133.9541337	131.804834	244.8924879	92.92474467	373.3197408
1.61_247.1108m/z	247.1108252	1.613583333	pos	Methionyl-Proline	HMDB0028981	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39	0	M+H	C10H18N2O3S	-1.075587341	2440.896895	2716.153953	2334.116227	2115.347673	3901.570585	2544.858663	2301.587737	1478.208319	1294.660872	3891.015842	2204.51163	2183.631218	2836.754501	4555.346815	3822.33994	2595.360519	2945.604331	3229.013896	3607.896216
1.63_335.0296m/z	335.0296089	1.633016667	neg	Butanoylphosphate	65782	Unclassified	Unclassified	Unclassified			39	0	2M-H	C4H9O5P	-1.888923127	548.6314165	796.0704692	530.5598717	419.4377862	718.6045755	775.4853734	1341.964923	261.5478632	246.0241441	1158.540113	799.4414836	109.7094955	1316.587378	1177.775075	612.923511	576.6550891	829.1376311	221.1633538	512.4452597
1.75_201.0731m/z	201.0730964	1.748516667	pos	2-O-Methyl-L-fucose	HMDB0033789	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			39	0	M+Na	C7H14O5	-1.391364463	3414.171197	3198.829364	2995.116451	2272.716052	4801.442457	6020.917383	2150.670179	4021.894639	2562.756906	4766.261237	1505.218535	2563.836885	4427.220581	2286.485049	4571.673311	1998.507233	3846.774697	3537.557027	2704.859146
1.81_197.0003m/z	197.0003367	1.807683333	pos	"1,4-Naphthoquinone"	65798	Unclassified	Unclassified	Unclassified			39	0	M+K	C10H6O2	2.525943532	2046.98511	2228.495071	2134.306627	1954.466914	1965.286813	1860.385971	2030.685124	2436.25495	1838.633346	2463.393874	1984.824238	2772.211117	2486.22453	2622.258948	2475.161231	2321.98087	2067.284878	2562.188398	1873.285712
1.90_137.0961m/z	137.0960635	1.903316667	pos	"1-Methoxy-2,4-dimethylbenzene"	HMDB0032149	Benzenoids	Phenol ethers	Anisoles	*		39	0	M+H	C9H12O	-0.205326049	22187.07793	19937.67717	19840.01745	19843.96334	19260.1577	21129.2194	20122.19515	20860.08563	21244.41813	20858.23334	22554.8761	21528.05804	19791.84904	19980.12341	21168.93464	19777.73413	20604.85923	19177.36483	18547.41105
1.96_281.0605m/z	281.0605308	1.9633	pos	N-Acetylserotonin sulfate	HMDB0060834	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acid derivatives			39	11.3	M+H-H2O	C12H14N2O5S	4.953584245	3096.707129	3687.466973	3180.93028	0.234135739	361.5246272	6.4140351	3.361336622	33262.01424	6944.319824	0.000297236	1.351766757	1142.329552	18.15753501	0.017861871	0.000297236	2.071201316	104.1769098	3.677449016	9.166959987
1.98_157.1586m/z	157.1586476	1.98295	pos	(-)-Menthol	LMPR0102090001	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids	**	C00400	39	0	M+H	C10H20O	-0.282251258	967.2708859	1118.452335	1094.355806	1229.236876	1124.792973	911.4553495	1289.844719	1181.3947	1000.090103	1143.730387	1037.811784	1202.292346	1141.400524	1319.074631	1044.340657	1298.039731	970.8331768	877.5084021	863.6956547
10.28_278.1108m/z	278.1108487	10.27795	pos	HC Blue No.1	72968	Unclassified	Unclassified	Unclassified			39	0	M+Na	C11H17N3O4	-1.089760431	2877.149453	4449.557812	3800.024488	4079.65567	3694.008724	4913.721943	4039.202056	1677.547346	2534.178304	2479.310004	4119.541965	3178.748366	4882.61192	4123.838688	5131.610589	5184.765846	4631.512781	4666.980019	5531.600812
10.57_284.3306m/z	284.3305839	10.56793333	pos	14S-Methyl-1-octadecene	LMFA11000019	Lipids and lipid-like molecules	Fatty Acyls	Hydrocarbons			39	0.82	M+NH4	C19H38	-2.226154372	13416.73605	13432.90714	13090.8928	12848.15847	12799.71411	13546.84412	14466.80114	12381.22401	13221.27336	11900.54392	12080.14686	15483.22223	12539.01195	15140.8628	13673.59397	12057.30072	13640.66641	13058.45888	11740.50695
10.69_524.2984m/z	524.2983858	10.69353333	pos	Isoamoritin	LMPK12140384	Lipids and lipid-like molecules	Polyketides	Flavonoids			39	11.4	M+NH4	C31H38O6	-4.500953545	93432.55736	75549.63453	95123.55221	98297.98915	105771.3041	113522.3017	103326.4743	66556.46449	92763.96948	90813.85956	99347.81343	95676.44597	98104.07131	109696.818	105290.2774	103028.0733	122891.4797	99210.71678	119212.1513
10.87_803.5674n	802.5604769	10.87058333	neg	PT(18:0/18:1(9Z))	LMGP00000048	Lipids and lipid-like molecules	Glycerophospholipids	Other Glycerophospholipids			39	7.25	"M-H2O-H, M-H"	C43H82NO10P	-0.24360988	3647427.46	3135135.24	3064194.757	3158046.918	3229805.213	3347481.775	3490225.728	3364839.187	3480495.653	3254122.734	3289954.578	2825280.211	2734626.043	4099296.664	1527898.459	4235832.736	3760233.386	4294708.863	3177651.142
11.19_339.1570m/z	339.1569727	11.1894	pos	"13,14-dihydro-15-keto-tetranor PGF1α"	2294	Unclassified	Unclassified	Unclassified			39	0	M+K	C16H28O5	0.468457853	14248.14131	12945.42371	14371.41711	11617.30822	18363.22706	8416.437911	10850.83308	17127.95641	23828.83751	9157.986957	13084.64802	24260.48535	19641.95558	14375.10537	14272.10371	9862.53575	11039.00459	9216.444311	16884.00368
11.51_360.2543m/z	360.2542904	11.50813333	neg	U-75302	43455	Unclassified	Unclassified	Unclassified			39	0	M-H	C22H35NO3	-0.352008093	8936.828565	8062.175072	8903.901759	11333.92715	10744.94291	13075.65676	7780.734437	6479.669343	7172.661601	10479.51844	8486.212365	12055.87274	9495.498977	10474.10533	10168.39036	11902.50388	11681.1358	13042.84663	10755.39425
12.18_367.1883m/z	367.1882755	12.17966667	pos	"9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R]"	36203	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C14795	39	0	M+K	C18H32O5	0.4366439	24326.59837	19685.70659	23273.93047	23319.72371	33289.42663	19547.30201	20883.35235	28856.00333	34680.0314	19333.22155	22616.71654	29080.21636	34395.23753	26888.08308	21766.81389	18512.04678	20558.07574	20122.17374	26400.06675
12.68_337.1664m/z	337.1664217	12.68373333	pos	Norfloxacin	HMDB0015192	Organoheterocyclic compounds	Tetrahydroisoquinolines	Unclassified	**	C06687	39	0	M+NH4	C16H18FN3O3	-1.953760327	61555.69132	55339.07336	68599.49869	61919.05816	75382.15507	47822.68986	53702.81281	113380.0344	103410.9705	50753.12845	57599.47829	86200.13694	66070.03258	53422.90738	67923.24757	63442.23127	70048.79207	66072.13884	61842.54196
12.76_435.8088m/z	435.8087665	12.76438333	pos	IODOQUINOL	44166	Unclassified	Unclassified	Unclassified			39	0	M+K	C9H5I2NO	-1.13733789	45162.22544	37712.67501	61349.73412	57027.19955	53016.57478	56965.91444	54446.7968	51843.57245	52399.14177	56260.24316	50457.52518	39286.18507	52688.72652	54280.48561	56093.13196	55903.82706	79040.06682	80539.06137	71843.95862
13.62_226.0116m/z	226.011595	13.62076667	pos	2-(Acetamidomethylene)succinate	63871	Unclassified	Unclassified	Unclassified			39	0	M+K	C7H9NO5	1.948912478	362699.9338	326232.9635	378780.5556	395194.6369	356944.0582	367601.1442	371200.6286	372979.0864	357412.1084	366544.6326	376362.979	344988.3503	395638.2815	379907.4102	403171.0107	415947.5324	403359.9912	410853.2705	386039.2292
14.30_425.2461m/z	425.2460971	14.2988	pos	3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester	70663	Unclassified	Unclassified	Unclassified			39	0	M+H	C23H37O5P	2.262213272	3630.518747	2066.914898	3421.268692	3748.609495	3594.758165	3260.373348	3417.12029	3131.782293	3512.47639	3142.451533	3833.06669	2551.737228	3885.38304	3912.20891	4028.232766	3661.214155	3907.990166	4301.541317	3606.328246
15.53_150.1023m/z	150.102257	15.52508333	pos	"1-Methylpyrrolo[1,2-a]pyrazine"	HMDB0033171	Organoheterocyclic compounds	Pyrrolopyrazines	Unclassified			39	3.74	M+NH4	C8H8N2	-2.398819056	100102.1323	90937.99879	97056.11641	93439.10325	92009.50062	100949.8688	101181.4637	104122.5037	107219.4002	97665.27269	101754.2636	101627.9634	99055.9647	93249.11229	103236.3434	109335.3738	101544.9722	106084.3023	92525.85402
15.74_117.0659m/z	117.065864	15.73598333	pos	Hymexazol	68844	Unclassified	Unclassified	Unclassified			39	0	M+NH4	C4H5NO2	0.101287237	12127.12077	12840.71023	12205.42651	12039.53514	11015.92768	12108.61794	12301.30922	11907.56365	11754.6505	12064.98494	12401.49077	12012.16136	12943.04015	12077.05817	13079.38264	12631.90763	11533.07629	12127.04154	11688.47005
15.76_101.0348m/z	101.0348177	15.75651667	pos	Hydantoin	66294	Unclassified	Unclassified	Unclassified			39	2.34	M+H	C3H4N2O2	2.63802394	17933.06587	18941.97886	18311.43647	16648.5904	15327.78583	17879.42365	17325.34482	17902.90307	16585.14034	18044.57714	17197.35402	18873.89567	18654.28155	17923.35833	19487.34375	17403.51541	15804.59282	18292.26618	16433.85422
2.20_181.1585m/z	181.158527	2.196466667	pos	trans-Dodec-2-enoic acid	HMDB0010729	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39	0	M+H-H2O	C12H22O2	-0.831363013	8454.836943	7730.760347	7949.047714	8336.419378	7490.724593	8250.650945	7895.789816	8309.379551	7604.704631	8525.035473	8382.129298	8225.356165	7899.137949	8666.063425	8679.817945	8061.29499	8280.187279	7806.413906	7324.461219
2.35_219.1337m/z	219.1336725	2.351833333	pos	N-(3-hydroxy-pentanoyl)-homoserine lactone	LMFA08030032	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			39	0	M+NH4	C9H15NO4	-1.297966287	7172.396601	7529.133266	6922.991056	4442.064778	10381.14957	6825.193883	10677.14163	2495.282237	2381.646298	10797.24633	5890.985311	2597.972763	10560.00395	10477.04887	9421.387906	7905.178649	8331.910556	4650.94383	9070.499829
2.37_199.1076m/z	199.1075896	2.372466667	pos	DL-Tyrosine	65607	Unclassified	Unclassified	Unclassified			39	0	M+NH4	C9H11NO3	-0.713123011	1511.252552	1490.212723	1459.646937	2375.452048	483.5053114	363.8153131	1957.200847	520.4446678	11.30523392	497.8817102	1627.886724	563.9625069	3982.3175	4648.44486	1469.570664	1267.04541	1204.90488	866.7110546	3313.808625
2.59_181.1223m/z	181.1222917	2.586333333	pos	"2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene"	HMDB0030007	Organic oxygen compounds	Organooxygen compounds	Ethers			39	0	M+H	C11H16O2	-0.080648498	9458.150636	9572.331464	9599.93225	9825.578376	8692.886258	9467.71199	9076.339142	9119.989901	8320.200627	9651.841004	9903.45984	9728.614433	9018.603336	9464.404689	9634.524892	10432.83848	9345.975862	9890.022356	9070.113139
2.76_237.1226m/z	237.1226204	2.763916667	pos	AAPH	64879	Unclassified	Unclassified	Unclassified			39	0	M+K	C8H18N6	0.846275472	1681.045479	1755.871542	1703.368962	942.1491395	2970.402387	1922.913556	2309.950321	735.5981523	458.0226509	2268.765595	1902.274811	440.9405704	2514.667891	2362.25242	2178.931931	1155.911091	1803.079261	1077.712298	2454.100161
2.76_274.1646m/z	274.1646486	2.763916667	pos	"1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol"	HMDB0031772	Benzenoids	Benzene and substituted derivatives	Phenylpropanes			39	0.352	M+NH4	C13H20O5	-0.978856793	3415.797727	4000.300428	3528.947497	1820.035308	2929.455961	4605.817357	1611.262313	21601.76469	8389.316244	2506.616769	2085.058499	3892.378903	2569.431422	2361.869252	2040.392637	1809.655521	2062.540853	1055.180381	1971.514861
2.80_105.0338m/z	105.0338014	2.803866667	pos	4-Hydroxybenzaldehyde	62451	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C00633	39	0	M+H-H2O	C7H6O2	2.541616998	1235.965001	1354.829849	1174.186358	1296.276655	1223.212969	1414.019615	1245.752046	1418.941278	1311.10096	1375.682749	1459.108694	1220.004975	1186.452977	1212.71955	1364.637402	1607.884615	1186.884544	1384.748672	1203.807103
2.98_187.0938m/z	187.0937954	2.979516667	pos	Dimethylenetriurea	66392	Unclassified	Unclassified	Unclassified			39	0	M+H-H2O	C5H12N6O3	-0.022873345	9031.424495	13179.46073	10154.59586	20724.19456	16312.90536	11730.05464	21344.80327	17570.60913	17938.76921	16646.3369	20495.33938	23990.23946	27087.14161	17508.33118	22811.59558	18785.48678	16620.89012	18776.10056	18817.13659
3.04_175.1116m/z	175.111619	3.040566667	pos	4-Methyl-2-phenyl-2-pentenal	HMDB0037281	Benzenoids	Benzene and substituted derivatives	Phenylacetaldehydes	*		39	0	M+H	C12H14O	-0.703763396	1143.434018	936.9458903	1088.014866	1192.633397	1128.289103	1085.50237	1165.110355	1387.917086	1211.190293	1134.666268	1156.666443	1279.631869	1248.049952	1082.809877	1082.838331	822.1926174	1475.525264	1151.251376	939.7130772
3.06_157.1586m/z	157.1586041	3.059866667	pos	Menthol	HMDB0003352	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	**	C00400	39	0	M+H	C10H20O	-0.560986383	1965.559264	2049.157347	2023.842728	2105.693796	2018.44802	2088.711964	2277.525881	2006.736502	2206.748629	2075.9429	2234.606185	2372.231028	2001.686514	2117.351364	2009.410566	2061.710111	2364.913252	2022.212394	1805.726805
3.30_309.2033m/z	309.2032902	3.295016667	pos	16-Hydroxy-10-oxohexadecanoic acid	HMDB0041287	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39	0.673	M+Na	C16H30O4	-1.187555203	22915.56721	22190.63466	22101.51084	21500.28903	20906.12016	22228.51308	22704.9092	21107.96693	24510.93206	22219.57581	23481.71151	24075.29981	21428.90879	22066.07649	24700.23905	24483.76036	22225.60092	22280.73523	19807.82777
3.42_433.1397m/z	433.1396687	3.416116667	neg	COTARNINE	43778	Unclassified	Unclassified	Unclassified			39	0	2M-H	C12H11NO3	-1.937909353	505.5034388	506.969115	490.1648541	0.041380816	347.1285594	262.1491045	611.5444946	3694.056947	1518.637395	340.8422636	230.4144565	351.8954686	228.6562353	154.2972317	87.86890258	180.9533654	156.6905922	0.000297236	196.932303
3.58_519.2670m/z	519.2669572	3.5769	neg	Leucyl-Glutamate	HMDB0028928	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			39	0	2M-H	C11H20N2O5	-0.403333944	692.3403818	995.830943	875.1635165	1033.389161	954.2526844	766.4316918	567.741118	305.3862242	173.6586954	561.2665058	563.7195063	1062.188185	1138.479942	837.2801303	1176.84342	824.1988805	905.8699557	1328.88204	1548.415799
3.74_319.0965m/z	319.0964698	3.743483333	neg	"Naphthalene-1,2-diol"	65883	Benzenoids	Naphthalenes	Naphthols and derivatives	**	C03012	39	0	2M-H	C10H8O2	-3.476289884	1158.870918	1217.834834	927.3294015	682.8932357	896.0870132	1082.307419	784.6197794	3781.035623	2061.282445	859.8597996	870.5757733	1512.531694	943.8353872	862.6219907	764.4227741	757.9948091	617.2426973	779.2038879	774.7204514
4.08_251.0671m/z	251.067063	4.078183333	neg	"2,3-dihydro-2-oxo-1H-Benzimidazole-1-propanoic acid"	2386	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C10H10N2O3	-1.3689787	245.147886	376.9451495	303.6553601	217.8113232	292.7487032	190.7218271	238.7689953	1047.103676	348.9644223	70.52392967	111.8720592	368.6416757	92.76137247	65.80710806	179.6348861	145.6539181	211.287443	196.614496	53.94206209
4.12_144.1018m/z	144.1018469	4.11915	pos	Allyl crotonate	HMDB0032067	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39	0	M+NH4	C7H10O2	-0.461883388	1803.029018	1878.719821	1857.3815	1899.112356	1446.660468	2077.92579	1375.089307	1827.236883	1516.272611	1591.062732	1398.043129	2263.327621	1835.223944	1592.065253	2171.411103	1519.445275	1916.305247	2095.616769	2904.21149
4.41_326.1959m/z	326.1958591	4.410033333	pos	ACRL Toxin II	87016	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		39	0	M+NH4	C17H24O5	-1.104198584	5254.928514	5572.747383	5243.822571	4493.40955	6426.665148	6925.900465	4333.824474	5154.277671	7104.282171	6940.790216	4588.47593	8570.307277	5280.973735	4268.962859	4094.811995	4475.32887	4165.408288	4716.537807	4344.365646
4.52_260.0538m/z	260.0538263	4.5199	neg	sn-glycero-3-Phosphoethanolamine	HMDB0059660	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			39	1.6	M+FA-H	C5H14NO6P	-1.164213666	36499.58827	34927.78387	34575.84655	63045.79017	33290.6801	22244.68083	34770.20962	37234.68855	36050.35603	16566.36606	34768.56037	44962.65323	29363.9826	35197.35703	31267.94328	34780.424	46637.55639	39324.25814	24563.87441
4.56_277.1555m/z	277.1555453	4.5621	neg	norfentanyl	HMDB0061006	Benzenoids	Benzene and substituted derivatives	Anilides			39	2.85	M+FA-H	C14H20N2O	-0.951447398	911.4255719	693.9951137	729.2565231	941.8928678	804.731921	925.5699212	791.9916964	598.6759717	352.6735961	821.6772152	469.0564212	680.5048372	656.1586304	816.6229613	760.7704853	754.1494353	803.067342	717.3469968	1144.611008
4.68_257.1356m/z	257.1355671	4.67675	pos	"7,8-Dihydrobiopterin"	65872	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	**	C02953	39	0	M+NH4	C9H13N5O3	-0.40868814	2387.841088	2809.651702	2415.229963	1818.071102	2397.630021	2976.205227	3318.039443	3158.200405	2264.038782	2230.450153	3994.122208	3078.047628	2995.994347	2747.762556	2043.415756	2131.531134	2153.755983	1716.742237	3591.932059
4.71_284.1503m/z	284.1502959	4.7107	neg	Macrophylline	68265	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C13H21NO3	-0.21100441	497.1143206	736.6946402	713.4910164	861.8121161	444.5628532	524.5155464	715.6286557	165.4733287	377.246608	436.3268302	873.4889134	283.402463	877.0661357	776.4169097	818.9556571	711.8670974	979.131304	1005.590872	853.6818588
4.89_386.0155m/z	386.0155095	4.890966667	neg	dCDP	HMDB0001245	Organic oxygen compounds	Organic oxoanionic compounds	Organic pyrophosphates	**	C00705	39	0	M-H	C9H15N3O10P2	-1.242939249	600.9313323	754.2564846	535.1796194	342.2600404	1096.58438	415.8308537	426.3890839	740.7826666	863.9768608	454.1864148	584.5960623	416.694477	762.484361	775.0590425	741.4419559	773.8268405	755.5082226	557.2020451	719.9428027
4.94_191.1037m/z	191.1036542	4.9422	pos	"5E,9-decadienoic acid"	LMFA01030211	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39	16.3	M+Na	C10H16O2	-3.546583731	9800.360771	6136.102075	6981.871004	6977.040684	6661.797903	7369.393608	6552.686803	6407.827117	6075.647391	6328.69751	8735.146964	6349.923952	6314.706434	6028.751074	6345.289365	5273.168518	6021.76948	6517.174028	6181.45615
5.06_286.1094m/z	286.1093823	5.0602	neg	zeleplon	85038	Unclassified	Unclassified	Unclassified			39	0	M-H2O-H	C17H15N5O	-1.431097	760.7660937	1079.924366	816.8783592	514.6947414	760.4734191	508.0884158	845.7936311	1666.18955	837.3384768	480.5045592	651.2213656	669.215076	543.2420818	675.8836432	802.6922892	452.0393482	639.2697045	440.8578093	675.0018433
5.29_385.2232m/z	385.2232108	5.289466667	neg	"Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-)"	763	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C19H32O5	0.099509014	607.0837477	585.2793504	623.3740994	683.5167921	526.8245553	1254.947218	409.0774024	266.4733318	111.5447039	629.5906245	505.0770553	434.9713501	527.9204729	195.6447716	647.9257289	552.638088	794.0217794	903.3159638	1451.720835
6.14_237.1475m/z	237.1474847	6.140633333	pos	Guanethidine	HMDB0015301	Organic nitrogen compounds	Organonitrogen compounds	Guanidines		C07036	39	0	M+K	C10H22N4	-0.606032689	2999.322764	3496.03605	2957.699959	2837.834174	3102.839859	2836.196762	2747.591418	3000.183693	2877.501845	3103.569194	2752.248343	3318.220489	2871.136392	3124.381249	3177.259445	2952.652813	2941.536218	2811.532176	3048.493033
6.34_190.0495m/z	190.049531	6.341866667	pos	"1-Nitro-5,6-dihydroxy-dihydronaphthalene"	HMDB0060328	Benzenoids	Naphthalenes	Nitronaphthalenes	**	C14801	39	0	M+H-H2O	C10H9NO4	-1.634720296	2356.590453	2029.020554	2227.046089	2305.41751	2206.144139	2265.436306	2460.14963	2162.267712	2203.051363	2349.408701	2236.647652	2463.274649	2249.320467	2256.253255	2412.690802	2446.81159	2432.270269	2663.861347	2202.125985
6.46_190.0496m/z	190.049562	6.46085	pos	α-Cyano-4-hydroxycinnamic acid	4116	Unclassified	Unclassified	Unclassified			39	0	M+H	C10H7NO3	-1.626865643	1676.70322	1622.374225	1718.446714	1794.996822	1553.559813	1742.909357	1803.456265	1574.297504	1521.522716	1629.313099	1713.329793	1591.55792	1900.912861	1636.119089	1955.331981	1773.238335	1549.179835	1583.429538	1672.401287
6.52_267.1600m/z	267.1599942	6.52395	neg	"(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one"	92448	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		39	0	M+FA-H	C14H22O2	-0.848836148	441.903834	488.461417	523.561991	180.8653803	700.9230186	1042.7336	200.7119707	132.8672338	159.8598958	1179.634629	229.1364212	239.1645132	276.5458728	388.5376898	250.8499937	92.67174439	212.801061	203.3119411	227.617477
6.87_223.0970m/z	223.0969506	6.873266667	neg	"(2E,4E)-2,4-Hexadienoic acid"	HMDB0029581	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		39	0	2M-H	C6H8O2	-2.819875093	519.9623125	580.8670482	539.9655538	642.1185229	669.1024519	806.7234718	724.3617215	476.729618	523.7963174	721.3139353	605.5300519	466.9982498	585.5421463	839.4464785	576.6636479	782.659746	734.7841884	534.7038213	677.4365285
7.26_489.2082m/z	489.2082385	7.260533333	neg	Difluprednate	HMDB0015676	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids		C12695	39	7.47	M-H2O-H	C27H34F2O7	-2.322299413	7007.606241	5515.251165	5406.839041	9856.678797	2749.726841	6882.528579	3920.844729	7546.951325	4306.886388	3626.301939	5130.389435	6534.410207	6049.9193	6187.908048	5043.068158	5796.489281	6736.782577	6912.144819	7439.840424
7.64_253.1442m/z	253.1441558	7.644766667	neg	Carvyl propionate	HMDB0038047	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		39	0	M+FA-H	C13H20O2	-1.81083768	645.5283585	584.1246059	620.357478	422.9457824	1239.418631	1422.221703	517.9487847	600.4382446	567.0144117	1174.577241	432.9244118	393.5818318	412.5482314	428.3069974	601.5003073	505.0792043	411.7715858	392.7179539	473.8489802
7.77_372.1655m/z	372.1655436	7.771166667	pos	Methyl helianthenoate F glucoside	HMDB0040797	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		39	1.06	M+NH4	C17H22O8	0.707116595	1961.508267	2681.876997	2736.568653	1887.480069	2708.906862	2843.169737	4484.569655	2115.830222	1513.733976	3544.679893	3414.28933	2048.542854	2469.198654	4016.635301	2588.510552	3617.123478	2761.887422	1447.801749	1795.499416
7.95_183.1014m/z	183.1013927	7.94965	pos	Furfuryl pentanoate	92550	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		39	0	M+H	C10H14O3	-0.9776279	2327.161658	2017.187147	2150.435604	2500.045223	2134.652976	2430.473379	2278.908249	2164.182768	1524.399593	2267.967858	2669.30491	2210.792064	2294.710498	2205.628178	2314.150254	2545.787951	2877.522301	2296.320193	2242.827233
8.37_301.2845m/z	301.2844822	8.368816667	pos	Prosafrinine	53951	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			39	0	M+NH4	C17H33NO2	-1.668583135	7478.185572	7270.086254	7236.239846	1470.398581	1351.52528	708.2320652	990.95704	1204.126422	797.2805641	712.1631105	1192.821319	1104.175973	1556.04201	973.8152445	1335.026555	740.2513356	810.464776	1392.38071	2515.153417
8.45_484.2681m/z	484.2681452	8.446666667	neg	LysoPE(15:0/0:0)	62289	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		39	0	M+FA-H	C20H42NO7P	0.120659142	1483.769541	1704.96223	1362.870003	1392.832599	2221.865617	1679.641421	1425.326511	779.0912642	1352.050868	629.3178433	1312.36346	2391.876807	2251.077778	1074.392587	1721.062094	757.4653996	1306.573616	651.4508818	2468.837445
8.52_351.2176m/z	351.2176112	8.518133333	neg	"5-Androstene-3b,16b,17a-triol"	LMST02020098	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	*		39	0	M+FA-H	C19H30O3	-0.282566192	1924.405736	2325.438903	1947.280576	3119.600976	1233.039906	1775.953635	1497.382749	1282.772295	528.7568168	919.4635414	1741.608435	3053.676404	1678.823935	1510.643166	1504.787356	1929.361575	2059.149059	2951.164798	2590.525876
8.96_322.9935m/z	322.9935253	8.964533333	neg	"2-C-Methyl-D-erythritol 2,4-cyclodiphosphate"	64016	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C5H12O9P2	-1.197015096	2478.439753	2446.938012	2373.086186	2987.282655	3221.020079	2808.687025	2987.597699	2931.851382	2879.827405	2906.651081	3108.512107	2833.087714	2628.91475	2849.865151	2727.23877	2720.961001	2892.519585	2784.618088	2300.949387
9.05_267.1138m/z	267.1138121	9.04535	neg	Schradan	72766	Unclassified	Unclassified	Unclassified			39	0	M-H2O-H	C8H24N4O3P2	-2.483847409	723.3076923	710.0414526	731.479052	414.8897815	1653.621111	724.6070307	433.1498034	517.139498	802.5992689	935.5225398	474.4254765	640.6363848	288.5525975	330.2674245	614.0306776	601.700967	581.4693138	946.2355058	998.0564852
9.57_353.0042m/z	353.0041915	9.566216667	neg	(R)-Mevalonic acid-5-pyrophosphate	HMDB0001981	Organic oxygen compounds	Organic oxoanionic compounds	Organic pyrophosphates			39	0	M+FA-H	C6H14O10P2	-0.750998723	22169.06971	21929.8648	23206.47897	22556.62319	22850.44303	22792.53677	22226.03174	21822.42997	22977.43378	22615.67544	23479.84759	19901.87385	22113.90936	21040.77638	22639.62247	22284.67137	21366.18254	21400.83325	21113.37369
9.67_325.2520m/z	325.251982	9.665583333	pos	18-fluoro-octadecanoic acid	LMFA01090045	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39	0	M+Na	C18H35FO2	2.159660708	579.0846374	496.7029661	462.1671448	432.1696631	211.2421406	455.1273583	764.2552126	0.000297236	0.000297236	1006.496199	916.5761404	0.000297236	86.67738067	144.8904977	1274.676773	948.1866643	636.2782567	1111.723124	166.0198265
9.96_302.3049m/z	302.3048686	9.963066667	pos	"4,8-dimethyl-hexadecanoic acid"	4325	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			39	0	M+NH4	C18H36O2	-1.714393084	8253.702196	9431.027401	8155.986248	8187.469735	8420.904555	8578.861178	8017.704813	9501.615357	8907.484221	6038.3133	9744.929072	13882.27477	8166.306912	9225.645496	7718.928929	7348.087371	6730.525256	7280.269588	8289.366304
9.96_394.2962m/z	394.2962273	9.9571	neg	Mead Acid Ethanolamide	36766	Unclassified	Unclassified	Unclassified			39	0	M+FA-H	C22H39NO2	-0.157599307	678.4646991	688.6741702	397.9127922	334.5796056	430.9431081	441.0761958	516.3898996	543.3239877	394.2265789	528.4446979	520.5591683	386.4244415	536.4262026	7744.405175	442.3841937	727.2245735	483.464472	798.5693728	267.4305799
0.06_159.0762m/z	159.0761933	0.06475	pos	2-Aminomuconate 6-semialdehyde	3248	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C03824	38.9	0	M+NH4	C6H7NO3	-1.597319132	6893.127572	4869.125442	5821.871711	5763.69699	5226.873267	5214.595656	5990.843171	7472.546762	6337.782212	5767.379089	6111.855974	4416.735088	5501.805068	4783.068672	5322.560691	5738.007474	5279.716846	6979.728798	4964.656405
0.16_103.0392m/z	103.0392436	0.158616667	pos	Acetoacetic acid	276	Organic acids and derivatives	Keto acids and derivatives	Short-chain keto acids and derivatives	**	C00164	38.9	0	M+H	C4H6O3	2.677137394	2191.759225	2981.844173	2970.480482	2604.938365	2724.243239	3086.706917	2894.938299	3011.677191	2818.279776	2731.037566	3128.316011	3440.088491	3216.583685	2847.966507	3148.944721	2883.637892	2518.138316	3116.270414	2617.499574
0.16_269.2121m/z	269.2120627	0.159816667	neg	2-Pentadecenal	265104	Unclassified	Unclassified	Unclassified			38.9	0	M+FA-H	C15H28O	-0.694488563	7428.920422	7127.762711	7329.672658	7305.342427	7774.422213	6918.493414	7387.057914	7614.422654	7208.517026	7364.427857	7134.034721	7193.352166	7645.519429	7347.966214	7702.834184	7397.964364	7234.965941	7681.136371	7150.711155
0.23_115.0392m/z	115.0392158	0.231516667	pos	(S)-2-Acetolactate	HMDB0006855	Organic acids and derivatives	Keto acids and derivatives	Short-chain keto acids and derivatives	**	C06010	38.9	0	M+H-H2O	C5H8O4	1.858137992	2661.04922	3002.904933	3101.013987	2578.018891	2975.758148	2860.973718	3064.278753	3146.172975	2954.398232	3274.983392	3008.65217	2934.804193	3309.762422	3205.493822	3059.401289	3083.633266	2856.558498	3099.423963	2730.595695
0.27_134.0359m/z	134.0358985	0.266316667	neg	"1,2-Diamino-4-nitrobenzene"	73087	Unclassified	Unclassified	Unclassified			38.9	0	M-H2O-H	C6H7N3O2	-0.567764339	831.6662987	1049.81416	978.4990578	1115.442599	1007.903367	1034.515602	963.0622478	797.5978509	909.4437698	924.5261651	858.9816257	840.0223487	876.5485609	959.1000586	962.8328788	898.2492029	859.7082468	909.9722973	785.1835178
0.44_194.1669n	195.1741565	0.439416667	pos	"(3S,6E)-Nerolidol"	HMDB0041629	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	**	C09704	38.9	0	"M+H, M+Na, M+H-H2O"	C13H22O	-0.953962991	143675.7036	130011.5194	135002.3335	131733.7407	132797.6482	144727.2698	127448.0763	136292.4976	128722.6425	149187.5476	138114.7356	159619.6884	140533.7308	136589.4686	135369.5511	129048.8594	117547.0455	135298.4547	121295.9131
0.44_264.1603m/z	264.1603467	0.435666667	neg	Fabianine	68036	Unclassified	Unclassified	Unclassified			38.9	0	M+FA-H	C14H21NO	-0.777717072	9598.531112	9935.431062	9359.222043	9810.989858	10283.48781	8911.02836	9803.899065	9994.665049	9822.95441	10913.4448	10028.92286	8906.866903	9144.610736	9539.367053	9401.855197	9680.927097	9266.447759	10030.03271	9592.01299
0.48_209.1322m/z	209.1322161	0.478916667	pos	"trans-1,2-Diphenylcyclobutane"	70915	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		38.9	0	M+H	C16H16	-1.253237621	4419.171304	4252.272061	4350.305563	4273.523064	4550.20863	4935.14662	4737.060566	3733.380056	4298.286815	4567.958755	4219.403329	3655.935921	4217.844935	3625.464172	3694.176306	4663.134708	4188.721563	3601.166742	4963.864424
0.70_215.0697m/z	215.0696936	0.695266667	pos	"3-[(1E)-but-1-en-1-yl]-5,6-dihydroxy-1H-isochromen-1-one"	HMDB0130045	Phenylpropanoids and polyketides	Isocoumarins and derivatives	Unclassified			38.9	10.6	M+H-H2O	C13H12O4	-2.486260177	94686.75705	103903.5263	105389.764	89167.3073	111130.8225	108715.1088	88992.59156	140090.3036	104683.0232	104977.4288	85415.67222	114021.3083	81544.10096	106263.9541	80471.3125	80155.76992	96371.35943	84009.91845	109103.7002
0.70_217.0291m/z	217.0290877	0.695333333	neg	Aspartyl-Cysteine	HMDB0028750	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.9	1.36	M-H2O-H	C7H12N2O5S	1.001189566	818115.1857	922488.117	791284.1754	973092.7791	857900.2167	865260.8538	1020635.386	843819.5695	832697.9554	787075.1466	934698.6945	796543.8582	702707.0194	825512.7231	883142.4659	1033547.72	929851.5779	879573.579	765196.288
0.71_219.0446m/z	219.0445686	0.712816667	neg	Cystathionine sulfoxide	HMDB0002399	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.9	6.9	M-H2O-H	C7H14N2O5S	0.282185552	178325.7473	177319.8684	181275.3642	26227.3458	343686.9587	166542.0879	108373.9806	69054.62781	163633.845	338638.9431	43472.26807	36086.10893	378757.8649	325948.5105	291655.9924	52012.3114	221231.6061	99501.23983	299475.775
0.73_199.1439m/z	199.1438985	0.729216667	pos	"cis-6-Nitro-p-mentha-1(7),2-diene"	HMDB0035195	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.9	7.15	M+NH4	C10H15NO2	-1.136013804	7642.500922	5087.064987	5019.185163	11245.24744	2982.274498	5122.415689	3895.506451	2748.844326	3516.783191	3509.261828	8661.492642	10921.95193	4162.752188	5036.668365	7113.91078	11218.84996	7381.627788	13601.91194	13809.40678
0.75_143.0814m/z	143.0813567	0.7465	pos	N-Ethylmaleimide	65769	Unclassified	Unclassified	Unclassified			38.9	0	M+NH4	C6H7NO2	-1.178312104	3817.481425	5602.085078	5099.28035	2255.315694	7333.69897	27557.28343	1566.698292	1578.057778	768.235723	20361.17738	1373.483592	1955.151863	2404.762293	1635.19606	1920.803132	1728.948993	2246.156603	2293.782129	2310.383644
0.76_371.1124m/z	371.1124081	0.764	pos	Tryptophyl-Glutamine	HMDB0029081	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.9	4.32	M+K	C16H20N4O4	2.393003083	202733.5184	192150.0619	167953.4784	157205.6413	214189.4073	245776.4636	138255.5502	142516.9699	141018.8347	227827.6841	154877.8257	165276.4173	243080.1864	190654.4723	177131.5974	213413.4298	171309.7288	185554.8887	204943.1298
0.82_291.0348m/z	291.0347573	0.819	neg	Oxoglutaric acid	HMDB0000208	Organic acids and derivatives	Keto acids and derivatives	Gamma-keto acids and derivatives	***	C00026	38.9	0	2M-H	C5H6O5	-3.468250987	6935.412764	5951.045383	7231.980304	5350.374309	7008.477454	5898.808165	6315.245127	7158.511317	6943.541402	8283.834537	6864.00359	8480.589675	4908.777337	6271.121672	5372.014707	6837.0575	6910.84328	5552.154481	7176.511299
0.82_424.1123n	405.0945077	0.819	neg	p-Hydroxyphenobarbital glucuronide	1822	Unclassified	Unclassified	Unclassified			38.9	0	"M-H2O-H, M-H"	C18H20N2O10	1.30616781	6936.088704	8489.220082	7570.857268	6031.455644	5218.3232	7820.494211	4486.385433	3403.442333	3226.768778	5624.994719	14125.90893	4082.258993	7769.520192	7330.71357	8717.354949	9494.505695	7297.416245	5750.39165	8811.246104
0.92_213.0121m/z	213.0121418	0.919466667	neg	Cyclobrassinone	HMDB0034209	Organoheterocyclic compounds	Indoles and derivatives	Indoles			38.9	6.75	M-H2O-H	C11H8N2O2S	-2.868432296	16210.74762	18355.54655	17466.93071	16570.13056	18099.22411	22714.97723	13695.07772	16786.84274	18599.12078	19908.31994	15036.34088	21274.36673	17003.07696	15671.373	15174.11695	16404.53658	16545.92913	17900.72381	16900.94937
0.95_239.1615m/z	239.1614911	0.94875	pos	xi-5-Hydroxydodecanoic acid	94705	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.9	0	M+Na	C12H24O3	-1.268330988	53455.64963	45704.74729	49033.75076	42778.35694	49631.31757	57841.48137	58528.80428	51165.29895	44745.53918	50705.05038	59209.42788	50258.35538	45984.88959	42244.42177	42682.63111	44934.62583	47253.76682	49221.78818	41689.75556
1.05_191.0483m/z	191.0482681	1.0453	pos	Cysteinyl-Serine	HMDB0028784	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.9	8.4	M+H-H2O	C6H12N2O4S	-1.064833975	5709.155762	3796.969372	4917.137882	2494.928984	9946.343903	5849.552119	8151.456851	5496.927233	6478.386078	4980.338584	3723.400979	2085.935942	8667.299274	5298.268537	5757.431872	1886.571013	5069.924756	4780.431244	3707.716673
1.08_136.0383n	159.0275562	1.079266667	pos	Allopurinol	HMDB0014581	Organoheterocyclic compounds	Pyrazolopyrimidines	"Pyrazolo[3,4-d]pyrimidines"			38.9	2.22	"M+Na, M+K"	C5H4N4O	-1.288161277	622393.7204	615643.9518	610860.1488	631606.0141	568958.1567	597255.1154	662612.9579	519467.1026	531864.8948	578885.9664	613870.3292	609120.1122	612415.8107	632102.3142	672680.752	717286.8866	660250.476	595833.9083	626094.7227
1.14_301.1518m/z	301.1517846	1.13945	neg	Neuromedin B (1-3)	HMDB0013016	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.9	0	M-H	C12H22N4O5	0.136263345	456.9180993	431.6209138	456.7842178	243.5601782	638.4964367	709.0685876	898.7798184	248.4789249	191.6802933	651.9947932	539.3467479	108.9597796	694.3936966	638.0681918	700.8340867	349.857489	642.780849	117.6848391	626.5789356
1.20_295.0935m/z	295.0934591	1.199216667	neg	1-iodo-2-methylundecane	HMDB0062727	Organohalogen compounds	Organoiodides	Unclassified			38.9	0	M-H	C12H25I	2.15028956	2906.834155	2775.16346	2713.751719	2893.289929	2791.462963	3129.619674	2716.654996	2215.064985	2698.614839	2578.584878	2730.27094	2461.881409	2817.975838	2652.049063	3021.185885	2787.028005	2968.499229	3314.974186	3554.299503
1.20_400.0310m/z	400.0309596	1.199216667	neg	5-Methyldeoxycytidine diphosphate	66129	Unclassified	Unclassified	Unclassified			38.9	0	M-H	C10H17N3O10P2	-1.698063051	1460.60006	784.7102365	1292.848939	688.921856	1307.251139	936.8164651	900.4616279	1180.112038	783.2863431	476.9878932	452.31893	1465.042717	1187.708635	1035.452226	836.6029714	751.1564623	1340.41047	1104.422449	1351.115241
1.24_220.0813m/z	220.0812763	1.239083333	pos	O-Succinyl-L-homoserine	362	Unclassified	Unclassified	Unclassified			38.9	0	M+H	C8H13NO6	-1.311225721	4269.427678	4989.315232	4531.715805	4355.696883	3720.762357	6242.711499	3104.274992	2593.409113	2471.136497	5422.372859	2933.917298	4410.12026	5339.391487	5369.151925	6677.95107	4003.847807	5909.022691	4574.474536	6460.121939
1.24_400.1107m/z	400.1106513	1.2412	neg	CHONDROSINE	43949	Unclassified	Unclassified	Unclassified			38.9	0	M+FA-H	C12H21NO11	2.782106622	19762.15664	16934.71631	16073.76832	3911.335673	38326.09583	9532.417263	31328.64442	1528.043734	12299.23343	27758.82773	19523.01148	2063.343075	22733.85323	32851.89098	17838.90325	14296.88363	13293.66351	5505.431539	7607.154091
1.34_283.1033m/z	283.1032849	1.336933333	neg	"(x)-1,2-Propanediol 1-O-b-D-glucopyranoside"	HMDB0033065	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.9	0	M+FA-H	C9H18O7	-0.717784839	1179.995085	968.2969795	1172.682953	333.867733	1691.931801	351.6458197	578.649661	2174.004787	1906.370717	648.9698129	802.6193695	1213.03601	919.5090125	1408.29073	926.7353402	669.240321	968.1825974	425.2926089	1320.798286
1.38_139.0389m/z	139.0388933	1.375966667	pos	m-Salicylic acid	3262	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	**	C00587	38.9	0	M+H	C7H6O3	-0.559189318	6067.272055	5431.862197	4919.096405	4733.649003	5193.547332	4910.096524	5340.511322	6153.049597	5781.094935	5344.577408	5713.766176	5250.415855	5133.597205	5564.887662	6363.221264	5225.032023	6060.322603	5802.988107	4964.059192
1.42_167.0705m/z	167.0704967	1.417983333	pos	Ipomeanine	HMDB0034243	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	***		38.9	0	M+H	C9H10O3	1.361674846	2262.470526	2082.47267	1886.305532	1935.994371	1912.887634	2154.099853	2221.888021	2118.622496	2381.848092	2187.196111	2258.333892	2095.714264	2087.704748	1987.535491	1837.737165	2088.590195	2096.949746	1952.93202	2192.140626
1.55_306.1557m/z	306.1557499	1.548516667	neg	hydroxyisovaleroyl carnitine	LMFA07070073	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.9	0	M+FA-H	C12H23NO5	-0.290216535	2202.852745	2061.146823	2194.863487	2365.272146	1649.784588	2083.518841	3434.437031	3154.742861	3825.621835	1989.848104	2681.963307	1893.551739	1269.901632	1614.607269	1610.127653	1520.065896	1646.269501	1415.873835	1617.971891
1.63_159.0683n	160.0755597	1.6338	pos	Indoleacetaldehyde	HMDB0001190	Organoheterocyclic compounds	Indoles and derivatives	Indoles	**	C00637	38.9	0	"M+H, M+NH4"	C10H9NO	-0.821567579	2632.966785	3046.239673	3013.53751	2245.474069	4556.986066	3997.859082	4142.599353	462.1242277	819.1282994	5993.192309	2848.290444	746.8683966	2623.034168	2628.62309	4556.578688	3695.85725	4185.270016	1989.418427	3591.865177
1.65_213.0373m/z	213.037265	1.6536	neg	fluorobenzoylpropionic acid	HMDB0060951	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.9	2.16	M-H	C10H8F2O3	1.825955392	4281.482159	4369.656495	4684.993904	4078.857749	902.137677	3205.846447	648.0939358	10956.38622	9616.870179	1182.856897	2256.174311	16723.46478	2534.668019	2363.402077	1809.17356	2874.856954	3567.950573	5392.17631	4244.314949
1.65_281.0256m/z	281.0256075	1.6536	neg	Isosorbide dinitrate	857	Organoheterocyclic compounds	Furofurans	Isosorbides		C07456	38.9	0	M+FA-H	C6H8N2O8	-2.798591954	2350.594328	2511.369735	2429.875335	2201.657281	515.428959	1627.564764	324.9285079	5644.845041	4789.562945	486.6306147	1116.642659	8734.443522	1293.502688	1167.485937	1020.431242	1665.356965	1888.139663	2909.756298	2054.487453
1.71_124.0969m/z	124.0968835	1.70895	pos	"(2R*,3R*)-1,2,3-Butanetriol"	HMDB0034778	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			38.9	0	M+NH4	C4H10O3	0.601564084	2306.287896	2159.052063	1974.277444	2070.120158	1999.899026	1948.898594	2216.19089	1951.405512	1910.570039	1809.023118	2073.580825	2216.62014	2230.254553	2257.588832	2148.798931	2225.894625	1809.198524	1939.158758	1866.409973
10.11_496.3047m/z	496.3046975	10.10533333	neg	PC(P-14:0/0:0)	40398	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			38.9	0	M+FA-H	C22H46NO6P	0.487121526	2930.726657	3129.498245	3592.341648	3990.470389	3973.770146	4865.452202	6048.115825	2991.316169	2956.742832	4206.592454	4539.787427	2429.319732	4049.129175	4171.981733	4299.923573	3277.971302	3778.939875	3706.625901	4115.983086
10.17_243.1962m/z	243.196165	10.16935	neg	10E-Tridecen-2S-ol	LMFA05000518	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			38.9	3.9	M+FA-H	C13H26O	-2.035056544	2304.691594	2294.410642	2641.138434	2283.570297	3186.47399	2490.279531	2476.435286	2482.441508	2890.393176	2914.948941	2549.881022	2533.615858	2235.314974	2328.105371	2343.501779	2410.518845	2351.579618	2098.701499	2733.926836
10.18_327.3364m/z	327.3364356	10.17525	pos	Oleoyl Ethyl Amide	44905	Unclassified	Unclassified	Unclassified			38.9	0	M+NH4	C20H39NO	-1.793797038	14268.66913	14918.7981	15594.17958	215.560611	199.6810558	0.000297236	0.000297236	128.4980449	0.000297236	0.000297236	119.8864114	189.0184567	116.0592342	0.000297236	95.95677171	0.000297236	0.000297236	0.000297236	515.3623507
10.20_357.3470m/z	357.3469526	10.19575	pos	AM3102	45552	Unclassified	Unclassified	Unclassified			38.9	0	M+NH4	C21H41NO2	-1.775482666	15867.0837	16679.57413	18015.30115	730.194421	611.8323505	120.0631877	119.9577563	366.6859247	297.9691706	0.000297236	144.9530535	916.6566769	368.7216252	130.3122035	127.632945	0.000297236	116.9774161	0.000297236	692.914328
10.23_279.2325m/z	279.232527	10.23283333	neg	(Z)-6-Nonenal	87316	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		38.9	0	2M-H	C9H16O	-1.522938293	515.284904	436.7960202	674.3679405	385.8944557	512.9641764	753.290063	471.7110324	1227.073484	1119.12861	565.1055498	452.0376818	908.567788	645.0967954	624.1473681	508.5968624	547.1298011	687.2895808	455.0200596	343.7285012
10.24_316.2241m/z	316.2240799	10.23813333	pos	3-Oxotetradecanoic acid glycerides	94395	Unclassified	Unclassified	Unclassified			38.9	0	M+H-H2O	C17H33O6-	-1.037191829	12369.87312	11206.5882	12111.63425	8697.301315	21028.04192	4492.276894	31127.35234	30826.91787	7588.034184	23051.80828	7705.44414	5161.397613	13779.87151	16859.36671	5218.069064	5217.386422	6174.868904	7962.598516	9668.604807
10.48_258.2786m/z	258.2786366	10.48398333	pos	11E-Hexadecen-1-ol	LMFA05000195	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			38.9	0.934	M+NH4	C16H32O	-2.100141525	76981.80843	76553.94184	77080.37381	79897.65391	75351.14186	74942.8886	76384.54673	77015.99561	78509.82451	77879.72017	77057.5833	80087.20564	80185.18105	79747.27751	81299.12121	84201.15046	76819.542	80816.22505	76360.5549
10.59_476.3729m/z	476.3729003	10.58955	pos	"(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one"	HMDB0035142	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	*		38.9	0.91	M+NH4	C29H46O4	-1.167758517	13027.14004	14028.20077	11740.7048	10315.40208	10934.72159	13030.68609	14671.91985	23641.2036	26163.93928	12712.22023	7875.358571	26913.67647	12794.4187	8733.872949	10704.96215	9020.109157	13614.71451	9738.369229	8030.753854
10.95_417.2757m/z	417.2756941	10.9545	neg	"3,4-DMMA"	96606	Unclassified	Unclassified	Unclassified			38.9	0	2M-H	C12H19NO2	-0.447423951	867.1520332	900.9133846	1079.204915	1384.065978	859.2966985	795.6657383	561.7790671	1029.518091	856.327055	615.0559641	842.013481	2330.108948	522.2134006	1007.925511	845.2895038	1176.477609	1240.762705	1354.816008	917.6183965
10.95_523.1901m/z	523.1901252	10.9545	neg	"1,6-Dimethoxypyrene"	72104	Benzenoids	Pyrenes	Unclassified		C18260	38.9	0	2M-H	C18H14O2	-2.590063017	2422.661179	2695.758642	3406.127369	1786.00188	1551.941241	4020.235058	2129.208491	4069.641311	1424.914141	2327.692622	1769.975201	6182.655829	2126.296431	1405.108633	3362.631537	3815.330872	4904.144938	4509.625391	4203.632623
11.07_355.2196m/z	355.2195753	11.06651667	pos	Istamycin AO	71978	Unclassified	Unclassified	Unclassified			38.9	0	M+NH4	C13H27N3O7	2.519454969	26724.11305	17191.05053	27170.54403	28547.25579	24988.40315	26678.99162	26696.21109	25643.42637	25692.53491	26174.24053	26272.69465	18900.71439	16476.62303	22876.33265	26619.10226	26396.24027	24717.11237	26671.57806	25621.84715
11.13_383.2917m/z	383.2916537	11.12618333	neg	N-palmitoyl glutamine	75509	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			38.9	0	M-H	C21H40N2O4	0.318371467	683.3079407	523.7857884	699.549675	619.4910106	647.1528811	578.1053922	328.0060298	863.7859014	277.7489739	398.5346925	431.0458957	714.0903175	770.7825869	623.465965	594.6471891	869.0673422	856.5733385	1046.434286	465.4140335
11.38_492.3104m/z	492.3103912	11.37623333	pos	17-phenyl trinor PGF2α cyclohexyl amide	64899	Unclassified	Unclassified	Unclassified			38.9	0	M+Na	C29H43NO4	4.179883993	6553.231233	3970.831182	4795.171707	10525.65422	4689.429265	8224.858026	4342.578173	6033.61652	4652.744006	3964.860376	6735.588831	5753.424942	5523.311001	5154.873634	6310.627013	7094.468259	6584.309253	9576.255864	6945.57388
11.57_257.2117m/z	257.2116781	11.57193333	neg	12-Methyltridecanal	LMFA06000257	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*		38.9	0	M+FA-H	C14H28O	-2.545807865	858.6555671	1221.26196	821.5785382	673.0281256	822.8024586	593.2197968	691.9125634	727.6936279	605.5646548	712.7259838	766.0922547	796.5818697	730.7669558	780.6274858	708.5361236	605.9313582	612.725442	770.673265	568.3196627
11.58_527.3041m/z	527.3041367	11.58355	pos	N3'-Acetyltobramycin	65882	Unclassified	Unclassified	Unclassified			38.9	0	M+NH4	C20H39N5O10	1.214935152	31219.92089	20462.39691	31877.10198	31983.09733	30168.8635	32228.17067	33016.12954	33313.47225	29160.63683	33704.70387	34027.41082	18868.2286	20356.95357	23619.58679	25007.21718	28687.58171	26453.4466	28346.05302	27292.95477
11.93_846.5474m/z	846.5473888	11.93223333	neg	"PS(17:0/20:2(11Z,14Z))"	LMGP03010240	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			38.9	16.3	M+FA-H	C43H80NO10P	-3.491256109	421622.898	363954.4027	417504.0711	434919.5394	350847.9416	321455.0249	357593.7506	372006.5929	368702.3901	347181.3595	385291.05	347596.636	415877.5402	313199.7334	355591.261	376961.8029	234209.6321	255899.0655	351586.2466
12.31_338.9882m/z	338.9882045	12.311	neg	"beta-D-Fructose 1,6-bisphosphate"	HMDB0060444	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C05378	38.9	0	M-H	C6H14O12P2	-1.671289429	1924.160746	2027.924165	1821.932038	1863.428338	1936.559459	1476.956221	2075.913936	2082.166112	1904.224385	2134.209965	1995.989037	1912.942009	2058.834662	1720.839997	1779.181772	2159.148632	2220.101538	2147.783831	1816.075381
12.35_369.0349m/z	369.0348537	12.35293333	neg	Pseudouridine 5'-phosphate	HMDB0001271	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01168	38.9	0	M+FA-H	C9H13N2O9P	2.419946941	2984.962999	2237.022712	2295.17394	2138.108528	2598.354981	1505.523969	2288.218191	2465.119782	2238.92367	2235.784132	2549.972771	2183.015517	2447.104992	2148.889506	2256.3055	2110.731908	2536.131516	2367.106979	2063.949393
12.67_338.9885m/z	338.9884569	12.6693	neg	DL-Glyceraldehyde 2-Phosphate	103468	Unclassified	Unclassified	Unclassified			38.9	0	2M-H	C3H7O6P	-0.928960639	3279.004237	3199.364955	3050.460556	3373.044426	3729.985269	3194.924284	3363.271251	3834.913191	3169.644194	3516.88983	3756.191981	3452.621678	3068.824003	3248.211612	3475.452512	3553.628044	3234.116194	4095.80668	3190.880367
14.45_166.0972m/z	166.0972163	14.44995	pos	"N,N-dimethylhistidine"	44783	Unclassified	Unclassified	Unclassified			38.9	0	M+H-H2O	C8H13N3O2	-1.486088699	231580.7197	192595.2451	228204.9228	233735.2737	222769.4356	223940.0304	227690.4794	234052.6156	227953.383	231840.2436	236854.3206	207631.5201	221926.7244	218730.8902	233634.17	243213.6632	235038.009	238927.7092	226494.4306
15.37_350.9886m/z	350.9885502	15.37448333	neg	Sedoheptulose pyrophosphate	419	Unclassified	Unclassified	Unclassified			38.9	0	M-H2O-H	C7H16O13P2	-0.60134565	1889.812252	2001.129357	1846.776917	2232.168324	2298.29118	2322.67388	1994.54306	2222.09167	1727.340213	1592.856882	2040.273538	1747.234906	1775.255693	1666.562043	1824.012202	2019.960094	1919.822208	1966.083009	2146.883098
15.41_184.9856m/z	184.9855559	15.41376667	neg	D-Glycerate 3-phosphate	150	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00197	38.9	0	M-H	C3H7O7P	-0.574654222	541.7288447	455.7310209	450.5033296	434.2847352	412.9235537	476.5913627	326.3363661	544.0015052	448.4005715	594.3604295	528.3752073	445.2811196	576.4420395	367.0725785	445.2507697	451.4696162	423.5276807	550.1226479	379.5749986
15.72_169.0855m/z	169.0854566	15.71671667	pos	Agmatine	HMDB0001432	Organic nitrogen compounds	Organonitrogen compounds	Guanidines	**	C00179	38.9	0	M+K	C5H14N4	3.474065452	2455.83758	2569.144826	2411.743168	2743.606286	2452.43532	2730.098984	2788.136983	3087.592516	3259.349807	3325.779609	3361.194085	2881.57536	3028.281689	3087.607847	2793.148111	2536.39437	3046.342366	3049.842599	2704.188565
2.22_239.0943n	240.1016243	2.21525	pos	"2,3-bis (4-Hydroxyphenyl) Propionitrile"	45149	Unclassified	Unclassified	Unclassified			38.9	0.303	"M+H, M+Na"	C15H13NO2	-1.174319997	7268.387536	8101.275461	7555.257114	4675.195876	5007.810618	6474.406547	5205.582129	13691.77692	16078.08502	6016.958201	5359.654136	24041.45593	4998.825678	4924.937205	5336.051886	4599.60527	5998.05931	4890.166443	4843.175629
2.33_249.1266m/z	249.1265568	2.33315	pos	Valyl-Methionine	86025	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.9	4.24	M+H	C10H20N2O3S	-0.738205031	1391.915659	1857.454186	1552.46314	1421.282422	1858.06255	1566.783418	2197.305546	741.5311958	563.162068	2120.504766	1124.002051	672.2447821	2190.294963	1944.985596	1772.26599	1489.396614	990.5080445	881.4007833	1865.274692
2.39_120.0446m/z	120.0445637	2.392566667	pos	2-Aminobenzoic acid	HMDB0001123	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	**	C00108	38.9	0	M+H-H2O	C7H7NO2	1.266024339	1453.995945	1560.122944	1500.107771	1501.415557	1696.05692	1569.135624	1510.952822	1593.399852	1241.824837	1848.749226	1243.372277	1292.481191	1525.112787	1796.525861	1846.469132	1775.912396	1774.742255	1590.035289	1484.556435
2.50_259.1297m/z	259.1297115	2.5002	neg	Prolyl-Valine	85923	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.9	0	M+FA-H	C10H18N2O3	-1.091798401	462.924592	467.4573609	503.919843	252.5783379	581.8426734	549.4535542	636.6127994	186.2377725	164.2597285	732.7397473	364.8112637	187.0082224	675.2160299	755.8829874	557.083958	552.884882	650.208324	381.407788	580.940138
2.75_314.0636n	627.1081556	2.754933333	neg	1-Salicylate glucuronide	HMDB0010313	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.9	0	"M-H, 2M-H"	C13H14O9	-0.565766453	2283.540812	2318.471907	1982.942912	2981.292817	1759.090045	3090.372133	2759.166953	1800.660901	1515.9062	3184.958693	1670.081948	1370.949827	2400.908666	1670.24361	1607.610632	1364.989168	1503.199001	2112.541963	1756.407334
2.78_221.0924m/z	221.0923577	2.775366667	neg	Serotonin	HMDB0000259	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives	**	C00780	38.9	4.22	M+FA-H	C10H12N2O	-4.589291783	1066.108456	1105.808965	1023.772034	664.9093083	1838.567905	1756.290104	2162.46895	698.2686213	644.8236448	1368.772567	1353.633765	310.5410127	1508.126081	1373.928663	1309.120102	775.8722225	1101.811977	773.8455883	1265.982212
3.16_121.1013m/z	121.1012568	3.156716667	pos	"2,4-nonadienal"	LMFA06000045	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		38.9	0	M+H-H2O	C9H14O	0.579078024	34145.12745	27563.39144	29039.70409	29619.15359	28738.42983	29993.70854	30461.54742	30296.77072	30520.30019	30490.83131	32893.40044	30812.70397	27125.47072	27344.3405	29098.24394	29104.38353	28386.45954	28500.36582	26170.78244
3.33_214.0896m/z	214.0895752	3.334066667	pos	2-(4-Methyl-5-thiazolyl)ethyl butanoate	HMDB0032418	Organoheterocyclic compounds	Azoles	Thiazoles			38.9	0	M+H	C10H15NO2S	-0.238986372	4614.268139	4024.944793	4237.216395	4230.769174	4594.426865	4521.868171	4330.758272	4565.87864	5162.617437	4955.76818	4570.19142	4028.701923	4194.769556	4230.090499	5062.609547	5735.829438	4287.723801	4364.041155	4369.24793
3.53_301.0807m/z	301.080656	3.534466667	neg	Nicotinate D-ribonucleoside	HMDB0006809	Unclassified	Unclassified	Unclassified			38.9	0	M+FA-H	C11H14NO6+	1.331482856	794.0751302	573.2564774	728.4785976	961.2480682	890.0911589	645.8992135	754.4450561	666.9487234	528.0720997	638.3169529	530.3563965	687.8573347	817.9649462	830.7573076	714.0621858	868.7525305	585.1154522	927.0580035	930.9995098
3.53_315.0596m/z	315.0596028	3.534466667	neg	Leflunomide	66762	Benzenoids	Benzene and substituted derivatives	Anilides		C07905	38.9	0	M+FA-H	C12H9F3N2O2	-0.786056786	959.5556331	1148.908283	1068.11154	1156.412109	1177.628741	1149.15956	1166.207409	701.5959774	788.7445347	1199.260122	1206.420757	1143.393599	882.6280688	1298.970155	1110.117622	1091.345287	1128.077704	1157.072	1336.181242
3.60_231.1700m/z	231.1700422	3.598316667	pos	Valyl-Leucine	HMDB0029131	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		38.9	0	M+H	C11H22N2O3	-1.202700315	4295.896144	4532.461144	4071.024152	3779.842024	4757.811961	3508.52888	4955.212134	2999.300991	2538.469072	4715.631452	3122.932559	2700.330132	4635.439911	5711.139419	5310.434134	4418.091153	4942.7265	4060.679591	5163.377131
3.85_336.1202m/z	336.1202348	3.850883333	neg	Serinyl-Tryptophan	85943	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.9	0	M+FA-H	C14H17N3O4	0.432475739	1486.661022	1410.755773	1223.295764	1468.809188	1434.861463	1676.999651	1518.036359	1299.756374	1215.508159	1378.838413	1414.190206	1577.903325	1381.197872	1179.86312	1367.409689	1242.153953	1441.427536	1380.600852	1265.404859
3.96_383.0837m/z	383.0836661	3.9553	neg	L-Ascorbic acid-2-glucoside	72159	Unclassified	Unclassified	Unclassified			38.9	0	M+FA-H	C12H18O11	1.632113696	4367.455162	4066.275546	4308.513921	3738.070123	4468.587943	4005.705557	3588.190803	5611.381711	5892.15809	4415.512983	3786.10925	5261.059915	4404.100468	3976.160026	4545.958338	4061.36833	4411.752551	4188.735993	4697.362073
4.02_159.0162m/z	159.0162015	4.0166	pos	Carbamoyl phosphate	HMDB0001096	Organic acids and derivatives	Organic phosphoric acids and derivatives	Unclassified	**	C00169	38.9	0	M+NH4	CH4NO5P	-2.361353189	502.1217448	451.1736882	639.2230214	703.7399826	443.2444762	738.6447671	569.4146282	369.1263515	202.1788754	700.8965153	560.6905382	269.0797629	547.8896471	583.2149321	806.1826021	517.819491	798.4765309	787.232038	1138.035922
4.08_298.2222m/z	298.2221955	4.077516667	pos	Palmitic acid(d3)	96756	Unclassified	Unclassified	Unclassified			38.9	0	M+K	C16H29D3O2	-0.089129394	27535.70541	25107.18982	29896.34111	8957.269608	37634.75182	25106.89538	29983.28712	32485.84428	17558.63156	10933.24088	23977.75654	20231.35201	10347.97364	23835.57845	7798.4515	20970.98795	20200.96047	13888.45346	28632.7594
4.12_159.1258n	182.1149935	4.11915	pos	8-Amino Caprylic acid	44732	Unclassified	Unclassified	Unclassified			38.9	0	"M+H, M+Na"	C8H17NO2	-0.853267712	3149.935549	3505.707795	3299.776076	4161.838849	3927.283907	2414.672076	3375.27889	3751.749629	3039.943809	5193.762522	3307.340957	3798.809811	2674.968708	4570.078763	7830.482557	5341.429836	3565.900938	3843.651543	2794.06815
4.14_326.1707m/z	326.170735	4.140633333	pos	"2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium"	HMDB0035173	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.9	0	M+NH4	C15H20N2O5	-1.013308448	2400.995112	2663.955331	2547.539358	2044.174469	2666.693014	5265.219606	1229.149809	187.122819	276.7174857	3962.613835	1789.868954	854.8339204	609.6096628	326.4869261	5258.504681	5510.496218	7602.421866	5386.952687	705.1096554
4.16_397.1121m/z	397.1120517	4.161483333	neg	3-(Uracil-1-yl)-L-alanine	66003	Unclassified	Unclassified	Unclassified			38.9	0	2M-H	C7H9N3O4	1.799989918	194.0644307	289.630647	184.6274796	166.298865	196.772796	1196.274737	177.7180139	0.000297236	0.000297236	748.1984298	132.8894576	153.1620813	91.88754335	88.31336454	0.413402669	118.9305464	103.3027168	182.9292017	107.744952
4.28_257.0623m/z	257.0623483	4.284433333	pos	1-Isopropyl citrate	HMDB0032438	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives			38.9	0.579	M+Na	C9H14O7	-3.525298936	875.3353344	867.8472028	1042.278993	1075.966142	517.8125057	964.6617319	505.1072891	625.0249127	680.3210162	682.0527812	641.745641	951.8336511	893.1690845	972.4893223	1089.862449	1238.028059	828.7109014	1059.218059	783.8561534
4.31_243.1710m/z	243.171042	4.309783333	neg	Cycluron	72851	Unclassified	Unclassified	Unclassified			38.9	0	M+FA-H	C11H22N2O	-1.888463873	626.0534627	620.8387307	584.6874843	580.4780241	674.5206561	689.5766836	843.2700485	306.1848783	250.3993786	627.9837508	498.9482004	307.2697597	707.4426581	636.7690497	721.9253508	560.5548461	772.5633242	569.63573	903.6969306
4.46_419.0833m/z	419.0832595	4.458266667	neg	"6-[4-(2-carboxy-2-hydroxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0124968	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.9	0	M+FA-H	C15H18O11	0.388299617	618.5061155	664.0042665	668.8015128	659.7898073	651.0183955	586.8713637	758.9195434	785.3076524	648.770275	627.5230021	851.9368059	560.5178558	711.2185494	730.3339084	557.6246937	667.9702697	750.3904164	866.2225696	441.4988986
4.48_212.0920m/z	212.0920177	4.47925	neg	Ethinamate	HMDB0015165	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds		C07832	38.9	3.96	M+FA-H	C9H13NO2	-4.870326593	606.3030089	653.7850047	540.7100067	361.4571928	909.1158482	601.4163983	361.84482	700.1840326	710.7976023	519.1345863	303.6560702	419.0951091	541.6936809	557.2473101	664.1877491	392.2121153	566.5961946	609.5074644	580.7238504
4.51_261.0359m/z	261.0358552	4.510966667	pos	D-Fructose 6-phosphate	146	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00085	38.9	2.47	M+H	C6H13O9P	-4.383433535	853.6215182	1254.278675	1115.67979	546.3886138	1148.514731	852.4180514	1495.94117	541.2585564	1096.21902	2549.210939	479.7467055	138.5023338	1111.357024	736.0443037	734.1557975	537.4885446	1349.156098	343.977145	699.3690874
4.56_245.1391m/z	245.1390503	4.5621	neg	3-Nonanon-1-yl acetate	HMDB0037179	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		38.9	0	M+FA-H	C11H20O3	-1.983757338	345.9956918	356.3512954	352.0296462	129.3934736	432.9701737	323.8649123	167.6173578	1368.22599	771.8891349	342.4153966	183.8222956	430.0436236	147.8683786	268.6756996	286.0232666	79.60727702	146.5002638	152.5623716	146.3705926
4.56_254.1008m/z	254.1007511	4.5621	neg	N-Despropyl-rotigotine	HMDB0060841	Benzenoids	Tetralins	Unclassified			38.9	0	M-H2O-H	C16H19NOS	-0.523679788	909.8561459	1313.723957	1202.602636	1638.148425	1276.11511	955.2374266	1192.438883	1346.308968	1275.18862	1650.951166	1605.133931	1121.407596	940.0270027	1274.648544	1838.398054	1469.374319	1122.620936	1206.291234	1242.808469
4.65_409.2231m/z	409.2230761	4.647516667	neg	Dihydrocortisol	HMDB0003259	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	**	C05471	38.9	0	M+FA-H	C21H32O5	-0.277104236	1324.326539	1418.087805	1818.601577	1846.567779	697.7523232	1067.519724	1875.826285	1032.224749	345.2105312	857.2054345	1959.039156	803.6315623	2644.428229	2306.852403	2830.603765	1880.306422	2473.840364	2575.802237	1405.761331
4.69_214.1077m/z	214.1076902	4.689533333	neg	3-hydroxyoct-3-enoylglycine	HMDB0094747	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.9	3.14	M-H	C10H17NO4	-3.678801072	1928.978803	1802.310065	2007.142019	875.2812726	3103.891742	1621.068986	900.741763	6186.858025	3574.143287	1443.481162	1081.990715	1555.051425	1628.809407	1830.887176	1970.177669	1188.649162	2120.182191	1310.989815	1625.182609
4.78_271.1660m/z	271.1659988	4.779633333	pos	4-[3]-ladderane-butanoic acid	LMFA01140010	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.9	10.2	M+Na	C16H24O2	-3.432586672	2790.670527	2698.02017	2283.16258	2809.642811	2823.051523	2574.677469	2344.825015	2991.727523	2491.501156	2411.401592	2335.318401	3075.867132	2415.584429	2644.019198	2669.328259	3002.356757	2504.38725	2950.04307	2387.886071
4.94_182.1901m/z	182.1901464	4.9422	pos	Dicyclohexylamine	70260	Unclassified	Unclassified	Unclassified			38.9	0	M+H	C12H23N	-0.99197009	1426.65976	1282.827797	1271.414533	3953.59255	2342.239403	1442.852437	1794.011482	2186.985206	1834.031711	1846.953353	1687.758562	1567.700927	1208.733506	1587.103346	1775.548659	2381.292024	3244.341791	3296.166486	1486.583472
4.98_305.0278m/z	305.0277828	4.976133333	neg	Galactose 1-phosphate	HMDB0000645	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	***	C00446	38.9	0	M+FA-H	C6H13O9P	-0.533478253	182.9833567	182.709133	185.3551407	74.7792021	693.9746802	696.6952786	0.000297236	32.12122615	0.000297236	1004.224851	30.64742249	117.9727924	35.86973777	28.90586734	93.62903977	60.83668295	223.6151348	196.8686114	48.20565418
5.04_199.0060m/z	199.0059984	5.038466667	neg	Tyrosol 4-sulfate	HMDB0041785	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			38.9	10.7	M-H2O-H	C8H10O5S	-4.838306408	1989.163415	2091.973827	1913.975826	347.7912414	6910.539076	4289.111157	301.0669598	7940.892062	2178.051816	3325.789735	364.5372456	2805.413733	1262.841965	999.4507704	278.4411644	350.7598618	443.8454386	365.8505919	1257.487786
5.10_111.0530m/z	111.0529894	5.10295	pos	N-Nitrosomethylethylamine	72999	Unclassified	Unclassified	Unclassified			38.9	0	M+Na	C3H8N2O	1.201624289	869.8867063	872.3951677	829.1589128	881.3352782	842.4955519	912.5818083	824.3850917	889.6740091	797.1297753	861.0761279	782.464205	808.8627675	881.8926201	878.1863154	880.3117833	999.3880703	1189.17655	953.1854231	734.0566999
5.10_407.2074m/z	407.2073986	5.103283333	neg	18-Hydroxycorticosterone	41867	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	**	C01124	38.9	0	M+FA-H	C21H30O5	-0.354273032	1358.036779	1435.731354	1262.519558	1405.577583	509.1220735	1262.368076	1363.885539	214.340545	72.04319766	1181.127795	1564.712732	269.9162881	2120.523012	2730.380241	2039.707683	2387.844534	2239.318815	2753.20062	1057.172997
5.24_190.0495m/z	190.0495049	5.239933333	pos	α-CYANO-3-HYDROXYCINNAMIC ACID	44302	Unclassified	Unclassified	Unclassified			38.9	0	M+H	C10H7NO3	-1.929013052	5858.04476	5253.156967	5786.370957	6151.289074	5364.162392	5378.618711	5676.315327	5781.174826	5410.709513	5675.687337	6441.617615	5539.038523	5675.212234	5678.882596	5840.840908	6625.822726	5423.348668	6104.389717	5548.594563
5.42_182.0938n	227.0919597	5.4245	neg	Furfuryl isovalerate	94420	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.9	0	"M+FA-H, 2M-H"	C10H14O3	-2.951650901	1872.549991	1885.872601	1827.067347	2033.740392	1515.009138	1270.287354	2269.838334	2228.957254	1627.450219	1710.742821	2178.668197	1429.391845	1553.963173	2780.11257	1934.717446	2303.659358	1583.967815	1757.846117	2042.250981
5.56_369.2281m/z	369.2281034	5.560616667	neg	1-Acetoxy-2-hydroxy-16-heptadecyn-4-one	HMDB0031007	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.9	0	M+FA-H	C19H32O4	-0.490365977	2133.984112	1967.583119	2500.240322	3988.497326	1028.170063	3439.914061	1471.519597	1700.267794	661.6023456	1535.16054	1616.83199	1684.866245	1596.179546	1547.575058	2167.961608	1983.830849	2872.864947	3620.549995	2786.164886
5.66_111.0530m/z	111.0529875	5.65875	pos	Dimethylurea	HMDB0029198	Organic acids and derivatives	Organic carbonic acids and derivatives	Ureas	**	C16364	38.9	0	M+Na	C3H8N2O	1.179870541	925.3129526	1075.436736	915.0835754	1077.588413	924.5406016	1024.819313	1008.464245	932.8851522	895.9322677	993.7569268	1115.20942	914.7740777	1102.19058	1041.403912	1041.935573	922.2089993	907.3976213	908.4539308	891.3501527
5.68_244.1550m/z	244.1550399	5.679333333	neg	isovaleryl-L-carnitine	LMFA07070077	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.9	0	M-H	C12H23NO4	-1.598407177	191.6360393	331.1477268	226.8036262	76.79747282	398.6030839	449.0361106	132.621394	221.2900156	854.3486225	400.5833315	214.9150328	180.7732552	216.3127486	145.3072924	128.8739213	122.5039463	96.39953197	28.09390363	243.5965474
5.73_1051.5581m/z	1051.558094	5.730166667	neg	"PIM1(19:2(9Z,12Z)/16:2(9Z,12Z))"	LMGP15010047	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositolglycans			38.9	10.2	M+FA-H	C50H87O18P	-3.091519076	1811.395872	1710.569665	1993.713425	0.000297236	1990.148235	4170.62023	668.6189032	0.000297236	3373.857537	1451.701032	793.5607215	0.000297236	301.3915712	542.5881325	48501.27811	0.000297236	1888.805984	4637.376883	352.0103222
6.06_225.1090m/z	225.1090287	6.0604	pos	6-Amino-9H-purine-9-propanoic acid	86603	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.9	0	M+NH4	C8H9N5O2	-2.03485542	2878.49001	2213.564959	2180.337825	2947.623924	2393.085289	2402.429429	2286.764555	2814.027636	2088.957825	2530.786999	2700.949457	2521.038284	2333.512021	2317.413759	2253.130892	2478.669523	2596.119743	2458.392484	2168.047646
6.14_183.1013m/z	183.10127	6.140633333	pos	cis-5-Decenedioic acid	HMDB0013227	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.9	0	M+H-H2O	C10H16O4	-1.502740888	2531.844503	2485.594393	2171.410126	2491.797534	2228.920487	2422.482824	2438.24218	2356.536654	1746.912173	2334.391244	2617.765092	2418.595482	2328.737897	2455.85381	2491.331287	2628.90851	2403.65373	2438.125936	2374.870755
6.24_352.2453m/z	352.2452723	6.24025	pos	Undecanoylcarnitine	LMFA07070110	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.9	0.204	M+Na	C18H35NO4	-1.691753356	4415.631182	4024.132196	3923.47146	2272.34741	7202.329163	1223.60989	7916.353532	8542.84772	2448.487742	7417.619141	2808.144548	2080.494243	4766.427228	6330.754368	1655.938297	1726.91156	2202.068789	1785.122099	3223.185501
6.46_580.2562m/z	580.2561611	6.461933333	neg	Ergotamine	HMDB0014834	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans		C07544	38.9	7.43	M-H	C33H35N5O5	-0.656667034	9103.548797	10685.36019	10869.11271	2493.103996	5913.965262	6647.148446	2849.427849	20498.05265	69780.73877	8389.125024	2663.680863	23027.61088	2657.426365	2527.195251	7939.309496	2479.497514	4276.400708	4039.291233	2065.635848
6.72_367.1396m/z	367.1396174	6.7244	neg	Vanylglycol	HMDB0001490	Benzenoids	Phenols	Methoxyphenols	**	C05594	38.9	0	2M-H	C9H12O4	-0.608106094	1433.792826	1556.817341	1776.707628	2250.822725	1659.447092	1444.666945	1905.289857	1550.810721	1628.745862	1425.455937	1902.997158	1574.766107	1541.436159	1852.468078	1641.002395	1194.102658	1687.622875	1325.977801	1825.492627
6.79_144.1381m/z	144.1381239	6.787316667	pos	"(3xi,5Z)-1,5-Octadien-3-ol"	87319	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.9	0	M+NH4	C8H14O	-1.32207268	1823.488189	1938.418794	1906.779773	2508.923133	2112.759176	2284.742942	2191.122576	2318.919663	2320.08618	2408.897883	2367.894358	2521.203628	2039.196011	2196.404219	2351.595956	2382.059634	2286.726401	2343.316448	2152.116949
6.95_224.1277m/z	224.1277027	6.946883333	pos	Ethyl trans-p-methoxycinnamate	HMDB0030762	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Cinnamic acid esters		C10476	38.9	7.58	M+NH4	C12H14O3	-2.023828811	3182.4595	3162.496523	3121.929149	3454.878824	3976.255741	3120.430467	3796.137648	1522.103406	2406.940435	3827.419006	3164.797263	2283.498412	2836.22815	3551.661222	3196.929248	3006.932732	3888.850827	4092.151265	3327.202728
7.49_555.1799m/z	555.1798649	7.4858	neg	CAY10503	64659	Unclassified	Unclassified	Unclassified			38.9	0	2M-H	C18H14O3	-2.602113321	2154.588751	2551.939732	2407.138775	2957.732387	1823.017051	3551.36666	1100.443575	3445.906894	1483.466696	2040.054946	1767.118818	1187.288283	5650.182423	3254.728161	3214.037878	1980.56037	2103.772467	2183.766208	2981.032976
7.56_298.1658m/z	298.1657994	7.562616667	neg	O-Demethylmetoprolol	1252	Unclassified	Unclassified	Unclassified			38.9	0	M+FA-H	C14H23NO3	-0.778224551	1408.248558	1526.112304	1052.168901	646.2915832	1629.351305	1904.320082	906.344187	2343.344293	1890.920211	1868.804351	1141.655757	1241.90641	1328.415855	1017.711093	748.4773639	792.1072853	954.74522	889.1463185	1267.656374
7.63_227.1250m/z	227.1250167	7.631983333	pos	"(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol"	HMDB0039053	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.9	3.35	M+Na	C10H20O4	-1.778601571	4014.614986	4444.522998	4220.462177	4840.046721	4461.1739	4841.456295	5204.805701	4374.685913	4607.214373	4506.48025	5164.152918	4808.685762	4739.096799	4852.368088	5043.087585	4790.077935	4860.421564	4680.215645	4726.216376
7.68_453.2858m/z	453.2858277	7.675066667	neg	"3a,4b,12a-Trihydroxy-5b-cholanoic acid"	HMDB0000330	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		38.9	0	M+FA-H	C24H40O5	0.12367996	2260.478907	1739.391325	2033.170135	2890.068965	643.7643459	1081.552776	580.1718363	0.000297236	382.6529105	8211.871187	5734.517337	0.000297236	591.1161667	594.8950938	6483.579605	673.3976176	2664.755387	4113.050519	1510.434536
7.91_305.0819m/z	305.0818555	7.911933333	neg	"2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one"	HMDB0032848	Benzenoids	Naphthalenes	Phenylnaphthalenes			38.9	0	M-H	C19H14O4	-0.251703237	1055.53245	1082.848584	1082.099016	1236.725374	1250.327735	1477.849109	1260.522472	1267.192787	961.2398169	1259.016011	1395.882735	1164.549089	1421.286119	1283.581076	1089.98924	1225.567853	1256.701237	950.7462438	855.8523976
8.07_181.1220m/z	181.1220324	8.069616667	pos	2-Phenylpropionaldehyde dimethyl acetal	88484	Benzenoids	Benzene and substituted derivatives	Unclassified			38.9	0	M+H	C11H16O2	-1.520271765	3957.613084	3913.77386	3737.484241	3820.470236	3398.569341	3531.31261	3621.915858	3432.636976	3491.516745	3657.404131	3839.981523	3957.110067	3766.635329	4143.825679	4125.693687	4047.688487	3975.252244	3934.69201	3753.766678
8.11_195.1015m/z	195.1014517	8.109116667	pos	3-Hydroxyphenyl-valeric acid	96026	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.9	0	M+H	C11H14O3	-0.613296559	3312.778456	3144.457567	3029.931181	2868.51038	2814.419021	2959.529838	2767.071365	2758.122307	2582.726962	2872.270948	2802.591039	2619.409016	2682.616271	3160.604563	3018.307064	3048.16749	3065.231181	2891.495989	2730.156423
8.11_343.1913m/z	343.1913197	8.11415	neg	4-Oxoretinal	HMDB0012794	Lipids and lipid-like molecules	Prenol lipids	Retinoids	*		38.9	0.119	M+FA-H	C20H26O2	-0.547517129	1793.938261	1538.175956	1408.937939	3599.010654	830.6036738	1971.003464	2610.164038	400.6674991	1000.236743	1991.187511	3301.470739	109.4748312	960.5151695	2860.209428	788.887807	2020.685103	2463.349366	1787.141464	318.9074404
8.43_252.1603m/z	252.1602659	8.429933333	neg	1-Phenyl-2-(diethylamino)-1-propanol	2014	Unclassified	Unclassified	Unclassified			38.9	0	M+FA-H	C13H21NO	-1.213136243	602.1122818	557.9166892	440.9138427	325.9741846	613.0842915	1008.208849	331.5628398	273.8639094	162.9998533	583.5238866	402.9573079	425.0706283	289.2924374	312.1238057	374.7818389	247.385166	337.9788637	275.3663498	489.6207221
8.55_225.1481m/z	225.1481453	8.547283333	pos	Methyl jasmonate	HMDB0036583	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	**	C11512	38.9	0	M+H	C13H20O3	-1.675802195	7091.817221	7665.121258	7048.295345	7486.776515	7058.635379	7142.424951	7307.333846	7034.486861	6977.610238	7188.387267	7365.76331	7203.883398	7452.217178	7624.422358	7722.696735	7424.255772	8321.903957	7729.056858	6771.725092
8.55_353.2334m/z	353.2333879	8.54805	neg	"10,13-Epoxy-11-methyloctadeca-10,12-dienoic acid"	LMFA01150005	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.9	0	M+FA-H	C19H32O3	0.130150728	1404.731879	1337.511343	1100.255872	1954.673147	921.4008737	1104.196638	1503.944024	205.8764165	128.9802225	839.4339737	970.0383423	801.7537981	1340.008687	2754.756998	2819.020665	1404.725172	1830.094584	1841.074061	1659.943568
8.77_427.3778m/z	427.3778452	8.767316667	pos	Hexacosanedioic acid	LMFA01170040	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.9	0.417	M+H	C26H50O4	-0.800563171	6440.12451	4825.536943	5659.620199	6080.658458	6166.321726	6286.360726	8462.759249	4561.694324	9272.50031	6437.856693	5348.044564	5015.766316	5613.345293	5109.871003	5379.219849	5400.097476	5205.501862	5264.294166	6376.030341
8.97_353.2333m/z	353.2332955	8.973016667	neg	Annosquamosin B	HMDB0031379	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		38.9	0	M+FA-H	C19H32O3	-0.169655711	3381.897159	3169.26753	3092.547595	2607.713191	3325.554427	3790.738193	2195.458392	1496.531405	571.8960329	2667.465877	1968.504348	4531.447957	2467.400721	2205.315217	3327.981859	4288.151275	4617.819861	3932.131943	3187.662514
9.15_213.1488m/z	213.1488022	9.153033333	neg	2-Methylisoborneol	LMPR0102090066	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.9	2.96	M+FA-H	C11H20O	-4.852233728	2014.586254	1737.672824	1598.123534	1321.45858	1604.952386	1810.421944	1165.744273	2019.25209	2197.627945	950.1003435	1464.573019	1665.621377	1976.722358	1589.895968	1646.029581	1743.431274	1821.217352	1560.496969	2066.560809
9.39_329.0046m/z	329.0046003	9.393333333	pos	Sedoheptulose 1-phosphate	HMDB0060509	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C06222	38.9	1.96	M+K	C7H15O10P	3.995843372	16647.30024	13791.85198	14045.27394	15175.9546	14224.48661	14949.479	14738.32791	15424.302	15300.62617	15231.92137	15093.23537	14004.44383	13822.72124	14308.25219	14951.13965	15417.59757	14024.93635	14691.2382	13957.93287
9.64_225.1482m/z	225.148163	9.6446	pos	"13-Oxo-9,11-tridecadienoic acid"	HMDB0034564	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.9	0	M+H	C13H20O3	-1.596994326	5463.438894	6226.213196	5782.716699	5637.66373	5555.04416	5590.427668	6075.758973	5719.853384	5748.858699	6103.759249	5971.447379	6198.268999	5707.272723	6307.97387	6480.523547	6272.709702	6016.89526	6266.869493	5837.960816
9.73_350.9886m/z	350.9885842	9.730366667	neg	"D-glycero-D-manno-Heptose 1,7-bisphosphate"	63658	Unclassified	Unclassified	Unclassified			38.9	0	M-H2O-H	C7H16O13P2	-0.509347657	7728.546426	8679.360838	7683.614594	9113.381882	9391.674171	8496.659343	8679.599056	9124.727842	9753.859974	9039.975303	9821.936306	7623.816969	8955.693418	8304.410478	8422.639738	8826.428042	8447.577941	8431.915238	8153.880054
9.79_464.3363m/z	464.3363336	9.7934	pos	Taccagenin	HMDB0034189	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones	*		38.9	1.91	M+NH4	C27H42O5	-1.60523407	7949.730392	10679.93361	7883.831259	8036.959783	6310.306119	17255.84981	6981.260355	14736.30389	12959.137	8597.226248	10092.71073	11773.79634	12729.06618	12282.14571	5585.768411	7029.356409	8879.086593	7676.20683	11049.37144
9.87_227.2009m/z	227.2009304	9.874866667	neg	Enanthaldehyde	LMFA06000001	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*	C14390	38.9	0	2M-H	C7H14O	-3.169419114	250.5428491	254.2728582	286.4279254	343.7391525	306.9494631	174.0189006	307.7303675	411.7495292	605.5734008	164.8024583	390.8302781	492.2434966	360.3437596	287.8417782	362.1641912	302.5690694	220.5435599	270.5319896	224.5083234
9.87_266.1033m/z	266.1033233	9.874866667	neg	Butylone	85072	Unclassified	Unclassified	Unclassified			38.9	0	M+FA-H	C12H15NO3	-0.329764457	545.6952474	744.884589	669.4738083	762.1019077	797.6796683	782.198517	827.8185315	840.3241035	846.1348613	746.6562516	753.0135988	649.8230837	767.5837659	706.0031027	821.1820001	751.2759616	792.9483435	875.8747168	666.5077176
0.03_121.0286m/z	121.0285944	0.025633333	pos	"2,5-Dihydroxybenzaldehyde"	44699	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C05585	38.8	0	M+H-H2O	C7H6O3	1.366360234	2065.742887	1869.076124	1647.873886	2133.865339	1956.0999	2328.064176	2195.681437	2785.125377	2302.777621	2337.618762	2203.581257	1922.949414	2143.414129	2224.949347	2385.500849	1958.709307	1940.442211	2972.028829	1887.123937
0.10_287.2214m/z	287.2213854	0.10495	pos	"2,3-Dihydroxycyclopentaneundecanoic acid"	70485	Unclassified	Unclassified	Unclassified			38.8	0	M+H	C16H30O4	-1.049783722	4627.925184	4067.773414	3920.776771	3948.954127	4559.629422	4332.666333	3510.114957	3878.08508	3382.448588	4221.474627	4659.18807	3931.346123	3953.45205	3805.927081	4308.581556	4364.493447	3713.511479	4067.592099	3413.084122
0.27_107.0606m/z	107.0606092	0.27345	pos	2-Methoxy-3-methylpyrazine	87972	Organoheterocyclic compounds	Diazines	Pyrazines			38.8	0	M+H-H2O	C6H8N2O	1.890333817	5928.740977	4991.966116	5863.130737	5727.386591	5615.977667	5451.926823	5941.475003	5910.757421	6413.109853	6159.870153	6649.936669	5316.328266	5423.321151	5714.698697	6113.922228	5829.874451	5205.317575	6165.420409	5978.443431
0.36_223.0633m/z	223.0633494	0.364	pos	Harmalan	HMDB0029834	Alkaloids and derivatives	Harmala alkaloids	Unclassified			38.8	2.3	M+K	C12H12N2	0.776242551	347578.5339	326761.5983	326557.9668	347410.7081	310584.2258	339843.0956	364721.716	361383.2197	337732.494	342976.8611	338231.4551	334212.5568	335208.675	315640.2211	344307.8485	345300.1104	320651.2753	342132.8386	321377.4048
0.38_157.1585m/z	157.1585293	0.3825	pos	Decanal	HMDB0011623	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*	C12307	38.8	0	M+H	C10H20O	-1.040027214	35938.43561	32955.38974	33544.63464	34310.18387	33281.41023	36819.32474	36832.74404	35347.05656	33887.80697	35790.67499	36098.00744	34944.26246	34013.26631	31673.5112	35389.40523	34441.79595	33544.80928	35528.00921	32551.97747
0.42_419.3150m/z	419.315016	0.418316667	pos	Dichotellate A	LMFA03000012	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			38.8	2.4	M+H	C26H42O4	-1.363211835	110773.9625	96976.00479	99490.41146	110975.0104	108616.3659	109339.0921	110930.3057	113326.0874	101341.4225	117737.5489	116642.0764	89868.9491	97876.2872	105872.2568	102362.5033	102371.7689	97605.51707	106787.4172	98930.96227
0.46_155.0256m/z	155.0255853	0.457466667	neg	Quinoxaline-2-carboxylic acid	72418	Unclassified	Unclassified	Unclassified			38.8	0	M-H2O-H	C9H6N2O2	2.867143575	14016.43445	9435.89935	10696.51649	10215.28474	10432.43817	9263.347308	10154.68489	9490.862999	9608.381415	9917.755405	9149.3181	14039.97039	15918.28219	16590.64243	16750.74203	14438.37831	11976.12553	11953.49954	10819.93543
0.50_205.1949m/z	205.1948505	0.49665	pos	(+)-δ-Cadinene	41187	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	**	C06394	38.8	0	M+H	C15H24	-1.110429351	54673.39369	45799.29907	49103.35107	49529.24782	48133.64871	53014.72494	49366.74223	51839.5009	49227.47043	51113.96976	49438.96345	47295.32748	49260.19879	46115.39609	49936.40349	49414.04314	47469.81226	51733.07527	46836.83691
0.59_112.0872m/z	112.0872262	0.589883333	pos	(R)-Piperazine-2-carboxamide	73352	Unclassified	Unclassified	Unclassified			38.8	0	M+H-H2O	C5H11N3O	2.342835034	12118.91554	11565.423	11031.63702	11608.80777	15537.54969	8982.170818	10219.02027	12259.25356	15790.1304	14014.28335	13808.61085	11392.45281	7621.896634	13196.65341	9211.680243	8407.962185	9647.609737	5729.653269	10767.07098
0.62_211.0829m/z	211.0829448	0.623133333	neg	3-(Methylthio)-1-propanol	87889	Organosulfur compounds	Thioethers	Dialkylthioethers	*		38.8	0	2M-H	C4H10OS	-1.18180362	4202.66001	4804.823066	4589.426041	5547.257546	7763.990538	5802.735727	5139.774554	3514.380618	2629.009996	6208.190726	5320.737733	2955.628254	4462.79357	4613.588805	5406.283706	3770.985705	5542.067332	3561.941969	6242.58456
0.62_277.1403m/z	277.140315	0.623133333	neg	"Ethylenediamine-N,N'-di-a-butyric acid"	2589	Unclassified	Unclassified	Unclassified			38.8	0	M+FA-H	C10H20N2O4	-0.839908103	8540.865296	8788.005387	9721.116154	12007.96645	8663.110301	7931.373094	6073.090622	7378.63292	6282.384303	8229.466558	9868.301722	11168.7931	10397.75622	9432.947124	10687.68411	10422.29306	9814.453575	14918.62414	14953.50578
0.62_307.1511m/z	307.1511114	0.623133333	neg	Fructoselysine	71227	Unclassified	Unclassified	Unclassified			38.8	0	M-H	C12H24N2O7	0.119036686	9567.937501	10050.54224	9774.623818	12647.68591	12387.81725	12554.8779	7727.861812	8334.142002	8336.435527	14654.94504	10638.60731	16280.89897	8282.481561	8775.668795	9548.625331	9226.759243	10469.87552	11139.06203	11563.41832
0.63_213.0981m/z	213.0980518	0.62635	pos	Glycyl-Histidine	85754	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.8	0	M+H	C8H12N4O3	-0.777648507	17647.57459	17330.84404	16927.09775	15355.48876	24169.71548	21296.64278	21092.7743	12893.67178	11309.50991	21723.26118	17984.86515	8010.977794	17462.37165	18346.74671	17861.44505	17010.9023	17608.76143	16071.18029	22193.54947
0.64_252.0486n	275.0378166	0.643516667	pos	"6-(carboxymethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0124938	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.8	2.57	"M+Na, M+K"	C8H12O9	1.840762002	90545.96481	97991.36441	91022.61215	95306.18278	95205.50739	85998.99586	83796.37873	83777.71025	81418.90794	88991.95817	81505.48098	106302.7345	103766.0167	89422.29241	97484.04038	99016.34679	92055.19238	92727.09496	104110.5321
0.66_241.0593m/z	241.059259	0.658766667	neg	2-Deoxystreptamine phospahte	66053	Unclassified	Unclassified	Unclassified			38.8	0	M-H	C6H15N2O6P	-0.98086191	20009.41483	19441.17787	19428.17236	25561.16234	10049.05648	11632.82312	26206.565	8279.733547	12768.56337	11937.85917	25240.6312	21065.18829	22975.0555	24448.10676	23788.07182	20364.37316	20609.05544	24258.15906	28193.39862
0.71_324.0920m/z	324.0920224	0.712233333	pos	Flutriafol	72509	Unclassified	Unclassified	Unclassified			38.8	0	M+Na	C16H13F2N3O	0.442442411	78306.88495	77147.33501	81554.92614	97276.8568	70132.67648	159605.4419	60151.97327	87265.36828	117297.1792	97560.54546	82342.50451	93109.29146	70657.16073	49351.36388	44707.75543	87500.52538	48107.74856	58505.17116	48302.2112
0.73_195.0027m/z	195.0026817	0.729216667	pos	Glycerol 2-phosphate	44760	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates		C02979	38.8	0	M+Na	C3H9O6P	-1.241991864	10600.60957	12709.36053	12509.46718	4062.376183	31191.81865	7526.968552	21554.5281	0.000297236	1687.088196	20450.98863	13141.23634	0.000297236	21947.08504	13145.33117	16826.56487	17102.54254	11536.90395	6058.603806	9335.750606
0.73_250.9724m/z	250.9723592	0.7299	neg	Etidronic acid	2629	Organic acids and derivatives	Organic phosphonic acids and derivatives	Bisphosphonates		C07736	38.8	0	M+FA-H	C2H8O7P2	-1.793936538	10524.67999	9622.923662	8921.798899	6784.788567	15253.36447	6959.83089	12479.19092	12995.51772	5883.559651	10192.81124	5619.079876	1574.208763	18707.91103	18682.59296	18384.56553	4552.662939	12311.57317	3882.515396	7238.280687
0.73_309.0633m/z	309.0633401	0.7299	neg	N-Methylethanolaminium phosphate	HMDB0060173	Organic acids and derivatives	Organic phosphoric acids and derivatives	Phosphate esters	**	C01210	38.8	0.383	2M-H	C3H10NO4P	3.63689579	36201.26218	35561.27652	30745.62336	74987.158	14867.30553	21963.00034	18997.22477	41673.66847	15779.30266	17412.53759	43786.08331	53430.57997	19369.94281	14049.33501	21322.61588	46642.62028	34472.97768	64585.15951	34691.74432
0.75_318.1290m/z	318.1290266	0.7465	pos	Aspartylglycosamine	5476	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C04540	38.8	0	M+H-H2O	C12H21N3O8	-1.64061586	10486.28702	12921.67086	11547.32877	11342.87804	12996.37281	8786.055486	12294.51753	8609.723546	14207.9972	8325.706317	11638.27862	17420.93676	15995.90563	11688.56521	4911.790811	6459.518368	11575.7047	9589.945834	11587.15932
0.80_471.1288m/z	471.1288161	0.801	neg	Methoxsalen Metabolite	1209	Unclassified	Unclassified	Unclassified			38.8	0	2M-H	C12H12O5	-1.809747355	21523.37143	25942.12039	25378.91007	17315.45054	15048.16137	35390.13644	14398.91723	15212.19395	32000.29416	28968.33689	35967.07182	13080.27266	15920.33144	18855.46274	23781.74032	22956.68036	15243.9784	21934.70233	35908.51296
0.82_159.0094m/z	159.0093857	0.819	neg	4-Fluoromuconolactone	HMDB0060386	Organoheterocyclic compounds	Dihydrofurans	Furanones	**	C16476	38.8	0	M-H	C6H5FO4	-3.279250855	4911.970422	4822.69717	4466.934796	4858.800829	4072.362567	4678.428826	3619.30549	4943.608652	5191.750229	5649.038032	4048.536822	5760.657692	3674.382711	3586.214429	4437.704764	3603.643406	3858.804827	5619.435064	4911.395397
0.82_262.1219m/z	262.1218707	0.816033333	pos	Biotin	HMDB0000030	Organoheterocyclic compounds	Biotin and derivatives	Unclassified	**	C00120	38.8	0.791	M+NH4	C10H16N2O3S	-0.484214336	25350.66307	26937.64043	28712.49236	20702.58968	32368.55369	27460.43432	36261.22857	18232.55871	19622.44649	29473.78012	26034.8958	21528.35819	31220.42349	35255.35172	41088.67069	25755.13076	24283.67065	16721.2612	23675.76268
0.89_203.1499m/z	203.1498506	0.89155	pos	Isocarbamid	72796	Unclassified	Unclassified	Unclassified			38.8	0	M+NH4	C8H15N3O2	-2.169907689	3506.886241	4546.925153	4205.119781	4138.743802	5394.614304	3826.692225	3665.585151	4906.054862	4677.330215	3392.463166	4322.181355	2908.982753	3987.44203	3454.371044	3532.241512	2946.672915	3884.88515	3198.006015	4473.682797
0.93_152.0318m/z	152.031753	0.929766667	pos	Pyrrolidonecarboxylic acid	HMDB0000267	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C01879	38.8	0	M+Na	C5H7NO3	-0.470781793	4998.697123	6066.369265	6427.843537	5334.389945	6434.620769	6846.774162	4813.716457	5760.889221	6442.424138	8015.119764	5001.023615	9396.548992	7205.512125	6142.765972	6870.721103	5879.117007	6008.546047	4371.788563	6893.71115
1.02_347.0397m/z	347.039693	1.022333333	neg	"3,4,5-trihydroxy-6-(1-oxo-1H-isochromene-3-carbonyloxy)oxane-2-carboxylic acid"	HMDB0128629	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.8	8.26	M-H2O-H	C16H14O10	-3.175862698	66708.39814	72391.39773	68669.99291	33771.88348	100855.4368	91938.62282	115748.8731	64833.48485	66137.50483	123091.9514	65074.8055	47735.48434	78793.18131	60109.70091	66822.05139	62182.48227	75325.17262	36135.48157	54217.43066
1.05_285.2785m/z	285.2784942	1.0453	pos	"2,6-Dimethyl-5-heptenyl nonanoate"	97291	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.8	2.43	M+H	C18H36O2	-1.099594624	6779.325022	7029.28839	6876.422729	7612.366894	7245.68613	7361.702887	6035.9243	6763.415767	8046.308195	7843.343535	7899.856619	6333.071129	7836.176448	6420.878099	6389.527263	6034.877541	5900.433274	6218.773402	5642.629363
1.08_424.1360m/z	424.1360227	1.081483333	neg	Dihydrofolic acid	HMDB0001056	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00415	38.8	2.01	M-H2O-H	C19H21N7O6	-3.3117272	532197.862	784933.7905	739309.8607	704350.7382	699078.9195	792975.1759	898781.1484	702792.0014	859697.8078	672576.3174	702493.8666	640251.084	744237.3604	730331.6716	663683.9263	721159.613	684175.5368	680052.9427	904805.331
1.08_467.1293m/z	467.1292767	1.081483333	neg	"4,5-Dihydroxypyrene"	72094	Unclassified	Unclassified	Unclassified			38.8	0	2M-H	C16H10O2	0.84175127	20656.15995	21452.45252	23677.41216	22489.0533	28533.64062	26568.7745	19861.73439	13390.09394	17475.28547	26382.79225	29188.46782	20719.93558	28116.52783	23429.07149	28024.84204	32960.03727	24499.51459	25313.28226	22853.71132
1.10_296.0774m/z	296.07742	1.098716667	neg	N-Feruloylglycine	65789	Unclassified	Unclassified	Unclassified			38.8	0	M+FA-H	C12H13NO5	-0.618735005	3216.787109	3944.39758	2614.562103	3905.253778	3105.405762	7074.161777	2879.504147	2881.923239	4174.83082	4769.977263	1979.374888	4374.147897	2492.873684	2600.101214	3836.367286	3185.524376	3971.125289	3189.239384	5796.052683
1.14_260.1603m/z	260.1603188	1.13905	pos	Hydroxypentobarbital	495	Unclassified	Unclassified	Unclassified			38.8	0	M+NH4	C11H18N2O4	-0.676466448	6458.391168	8994.938208	5893.872194	4232.640863	12166.25543	5283.322173	11103.63085	2463.623906	1783.1929	11791.10019	6184.682367	2337.879592	11292.02616	12916.67127	8876.144259	8388.814903	9454.484052	4102.961631	6672.295128
1.18_419.1389m/z	419.1388759	1.1797	neg	L-Galacto-2-heptulose	HMDB0029901	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.8	4	2M-H	C7H14O7	-4.172984435	18331.10778	18813.57647	19820.56325	17682.16357	18508.56271	17831.55645	20180.45411	15534.04236	14381.84746	18693.8002	19790.64518	18205.12032	22088.78304	18434.23899	17923.56947	20014.3339	21030.99954	25031.11762	25734.53254
1.18_454.2037m/z	454.203677	1.1797	neg	Gentamicin A2	71865	Unclassified	Unclassified	Unclassified			38.8	0	M-H	C17H33N3O11	-1.220290131	960.0938656	1069.754202	829.7844931	707.8795716	838.8689382	754.9683307	1094.674468	431.1408301	264.2987162	733.2787551	463.6910955	815.9407543	836.6032362	956.2202023	1060.776506	1023.577447	1062.722247	1210.430602	1923.211989
1.22_171.0262m/z	171.0261656	1.219283333	pos	L-2-Hydroxyglutaric acid	HMDB0000694	Organic acids and derivatives	Hydroxy acids and derivatives	Short-chain hydroxy acids and derivatives	**	C03196	38.8	0	M+Na	C5H8O5	-1.542886529	3389.17192	3826.358377	3727.27324	3797.17934	6046.544451	3087.450239	2995.139557	5371.974827	2325.358417	2184.363182	3324.875639	4878.547812	3840.113855	3940.889744	3997.98614	4287.419298	4671.563171	4881.850525	3083.240699
1.22_232.0819m/z	232.0819186	1.220333333	neg	2-Keto-6-acetamidocaproate	62815	Organic acids and derivatives	Keto acids and derivatives	Medium-chain keto acids and derivatives	**	C05548	38.8	0	M+FA-H	C8H13NO4	-3.967152538	1085.185674	1016.974969	894.9994316	208.4372815	1214.981779	484.8084167	254.9806943	5143.07889	1776.918083	115.842774	278.5668955	936.9531112	408.3586385	566.1063951	272.8710788	309.7342407	405.6888419	746.7704224	399.6218077
1.24_579.0274m/z	579.0273911	1.2412	neg	Uridine diphosphate glucuronic acid	HMDB0000935	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	**	C00167	38.8	0	M-H	C15H22N2O18P2	0.65920618	1042.000651	1742.700873	1333.352526	0.000297236	6406.015994	0.000297236	1467.248278	0.000297236	711.8965787	7043.670093	918.755804	0.000297236	3516.482365	5246.809482	3141.241971	1591.292262	1642.710551	0.000297236	729.5888095
1.30_487.1989m/z	487.1989478	1.297066667	neg	G? 6983	45529	Unclassified	Unclassified	Unclassified			38.8	0	M+FA-H	C26H26N4O3	0.574825647	2957.735264	2573.118546	2173.000366	2139.37139	2045.727067	1469.697628	1884.42482	1285.432178	584.8782644	1764.397797	1057.630165	2762.181549	3277.435183	3646.117033	2546.773911	2206.312014	2955.757945	3489.995924	4012.60759
1.34_148.0528n	147.0456747	1.336933333	neg	trans-Cinnamic acid	HMDB0000930	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Cinnamic acids	***	C10438	38.8	0	"M-H2O-H, M-H"	C9H8O2	2.669209958	657.4937573	572.1325773	745.1511288	352.8748162	744.3977084	289.5516675	519.316034	908.947428	621.7225146	391.8599932	643.3290852	603.1793239	615.2999156	762.4853621	600.3882277	657.4314045	716.0215889	709.2495998	640.0310181
1.34_297.0566m/z	297.0566119	1.336933333	neg	"d,l-threo-3-HYDROXYASPARTIC ACID"	44611	Unclassified	Unclassified	Unclassified			38.8	0	2M-H	C4H7NO5	-3.208320989	19112.67597	18717.10702	20137.44319	2342.043686	24604.50713	2983.537793	5061.471545	82912.98594	63552.20754	3104.067018	11022.92508	21412.53425	11953.66084	24633.53313	17182.43633	12473.04306	11913.86341	6510.00689	20028.23925
1.40_247.1287m/z	247.1286969	1.396783333	pos	Aspartyl-Leucine	HMDB0028757	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		38.8	0	M+H	C10H18N2O5	-0.61454601	4299.635041	4301.816337	4399.676424	4623.720459	3776.730633	4086.017032	3375.471431	3524.948154	3571.925608	4101.963598	3703.627308	3994.833806	4822.85954	5012.850283	4296.66459	4469.854622	4213.831532	4827.172959	5177.993304
1.61_150.0550m/z	150.0550242	1.613583333	pos	"2,4,6-Octatriynoic acid"	87320	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.8	0	M+NH4	C8H4O2	0.525222775	1583.279107	1347.412856	1368.891784	1579.601665	1613.233346	1952.865077	1219.09129	1622.818646	1850.638759	1851.706638	1342.69104	1941.930951	1344.060539	1562.418377	1407.37429	1557.374393	1312.829121	1716.40819	1328.289535
1.61_175.1116m/z	175.1116051	1.613583333	pos	Ethyl 4-phenylbutanoate	87813	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.8	0	M+H-H2O	C12H16O2	-0.709784912	2666.591732	2678.683938	2491.643469	2819.820106	2693.317937	2279.195145	3044.944165	2649.154939	3064.861045	2686.44791	2609.007264	2479.076147	2486.124997	2499.009048	2575.005633	2727.154289	2492.173187	2839.23631	2713.9768
1.86_302.1594m/z	302.1593633	1.8645	pos	2-Phenylethyl beta-D-glucopyranoside	HMDB0029819	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.8	0	M+NH4	C14H20O6	-1.585825683	4104.384157	4496.363678	4192.627472	1698.574577	1923.105184	8664.25565	324.7028207	20204.44758	15877.02596	5085.17082	783.2740089	7633.936899	424.9360388	250.0110867	714.7702357	1124.185144	1298.67604	1053.406061	348.6050381
1.95_507.0317m/z	507.0317275	1.949816667	neg	Shikimate-3-phosphate	3384	Unclassified	Unclassified	Unclassified			38.8	0	2M-H	C7H11O8P	1.370034817	4021.968322	4261.886809	3987.575886	224.5882727	694.0656115	330.3473607	97.57151584	40970.46192	8708.963889	144.4408939	96.40019427	1556.416532	492.7152078	359.6559468	0.000297236	120.1922284	125.2945495	378.9047011	284.036048
10.06_415.1714m/z	415.1714451	10.06331667	neg	Chalcone	HMDB0003066	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones		C15589	38.8	0	2M-H	C15H12O	2.622657352	4470.878298	4139.109619	4526.28075	8762.227082	2484.448712	7466.259043	3273.554975	3968.46433	1642.038115	3503.202289	4106.641398	3809.143532	2954.105814	3831.858953	5236.64243	4666.572876	6177.904904	9132.238856	6259.807441
10.09_451.2693n	452.276574	10.08928333	pos	PC(O-11:1(10E)/2:0)	4078	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			38.8	0	"M+H, M+Na"	C21H42NO7P	-1.311197144	42773.91885	41365.7009	41270.81442	35411.20825	105595.4115	49306.79396	32370.35144	29315.30924	55025.67633	47735.39125	30207.68112	42404.80407	78399.04405	58722.26598	39120.65012	34184.35167	42669.10893	32420.75802	53244.75798
10.36_545.2747n	546.2819612	10.36063333	pos	Geldanamycin Analog	96314	Unclassified	Unclassified	Unclassified			38.8	6.04	"M+H, M+Na"	C28H39N3O8	1.778029737	451440.1409	482286.5164	456676.9619	601311.6434	495802.0936	626234.7632	529387.3584	297462.2357	287999.5445	512149.0997	526791.4147	343455.0293	502892.3569	495881.14	601926.4935	595499.934	639070.5038	603236.6263	648938.5535
10.48_332.3306m/z	332.3305879	10.48398333	pos	Pipercitine	HMDB0039937	Organoheterocyclic compounds	Piperidines	N-acylpiperidines			38.8	0.753	M+H-H2O	C23H43NO	-1.685660215	4933.579249	4619.055918	4787.861954	8482.602031	2588.42009	3078.136078	8436.405309	3257.995392	3060.09728	3012.375114	17920.5984	3599.242765	2575.053716	16195.75344	3309.481663	4338.162596	2831.120261	3139.586101	2827.129648
10.91_837.1876m/z	837.1876086	10.9122	neg	Cyanidin 3-arabinoside	92761	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			38.8	0	2M-H	C20H19O10+	-0.905012932	12128.35619	11309.16486	11881.1258	10050.10944	11437.16006	13363.03875	11836.25296	9995.662486	14165.9282	15202.50854	14193.97957	9504.285735	10167.33572	10662.67561	11548.79396	12194.05918	12578.54448	10064.64545	12818.98696
11.06_358.2390m/z	358.2389678	11.06195	neg	Ajaconine	67091	Unclassified	Unclassified	Unclassified			38.8	0	M-H	C22H33NO3	0.557673675	411.6093318	273.098894	451.3275743	828.5970354	746.8767051	816.6932643	503.5363066	254.5577353	312.7417198	677.7518016	436.6159765	362.2628674	696.0678747	963.2594868	650.6474382	587.1417853	604.6634991	707.2451749	805.3512233
11.19_691.2478m/z	691.2477621	11.1889	neg	FLUTRIMAZOLE	44373	Unclassified	Unclassified	Unclassified			38.8	0	2M-H	C22H16F2N2	-1.836637544	4909.474308	3305.541896	3944.164938	5837.164871	7493.093199	10083.67349	6196.959812	4472.689437	2738.562249	5557.627347	6651.609676	5334.502738	4349.790243	3865.138196	6962.807013	7146.892478	6864.112433	8463.79168	7281.638691
11.38_269.2120m/z	269.2120384	11.38033333	neg	"3,7,11-Trimethyl-6E,10-dodecadien-1-ol"	46097	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			38.8	0	M+FA-H	C15H28O	-0.802900133	1087.291276	1147.114932	1271.710018	1223.4285	1412.76542	1049.835105	1218.958611	1055.522576	1114.581809	1461.85016	1355.439025	1138.371366	1354.999997	1331.759967	1313.080438	1308.748549	1310.586154	1232.574275	1040.47267
11.44_283.2625m/z	283.2625122	11.43953333	pos	Oleic acid	HMDB0000207	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C00712	38.8	0	M+H	C18H34O2	-2.28373621	39873.123	35115.16702	39453.04153	39156.56679	38338.35163	37376.75412	38476.03084	38053.1712	39887.04494	38971.06827	39354.06987	37237.25439	36909.37912	37640.0155	40707.30164	38411.24997	38158.4372	39311.949	38383.20735
11.44_466.2956m/z	466.2955718	11.44436667	neg	Buprenorphine	HMDB0015057	Benzenoids	Phenanthrenes and derivatives	Unclassified		C08007	38.8	0	M-H	C29H41NO4	-1.520574223	5000.016775	3855.582294	3887.765367	7952.427941	3135.211657	5060.209453	3553.179592	6307.39323	4372.920359	2989.875777	3924.769788	9925.330597	4711.975482	4325.005404	5403.110676	5866.562456	5295.493621	6977.222459	4639.252342
11.55_345.2431m/z	345.2431397	11.5504	neg	Cardanoldiene	HMDB0029816	Benzenoids	Phenols	1-hydroxy-4-unsubstituted benzenoids			38.8	0.132	M+FA-H	C21H32O	-1.261581524	5447.674527	7545.784171	7220.886886	4860.983092	4992.554911	5580.617684	3925.084713	2692.867616	3227.860344	4693.102693	5411.581348	4111.42537	5782.310504	4887.549048	4073.178992	4545.582245	3782.630394	4508.170896	5333.271779
11.70_339.2149m/z	339.2149389	11.69991667	neg	Kinetensin 1-3	HMDB0012983	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.8	0	M-H2O-H	C15H30N6O4	-0.204968841	3059.74445	2918.337761	2764.124458	3564.727347	3416.850339	3776.669405	2618.668763	3016.389835	3176.707197	2950.348088	2643.732803	2568.446584	3396.297074	3396.803021	2724.853368	3670.968355	2861.834322	3042.002261	3353.233592
11.91_423.2751m/z	423.2750838	11.91175	neg	DIHYDROJASMONIC ACID	44409	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	*		38.8	0	2M-H	C12H20O3	-0.303439867	1623.204344	1882.202139	1436.461329	2912.994294	1784.665918	3063.688207	1946.643518	2433.854374	2821.643471	2672.296653	3070.740009	2413.952838	1819.367346	2952.709101	2755.559818	1392.685871	2627.268314	2162.929453	2019.905047
12.16_326.2698m/z	326.2697904	12.1649	neg	Oleamide	HMDB0002117	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	*	C19670	38.8	0	M+FA-H	C18H35NO	-0.985439221	1810.436806	1547.82154	1722.098399	2469.354953	1767.383834	2127.550119	1034.742108	1800.319381	1665.987397	990.2875557	1004.301902	2601.20544	1614.405813	1443.389006	1565.239161	1750.346179	1627.78015	2507.50705	2191.517899
12.16_707.1088m/z	707.1087502	12.1649	neg	5-Amino-6-(5'-phosphoribosylamino)uracil	3497	Unclassified	Unclassified	Unclassified			38.8	0	2M-H	C9H15N4O9P	0.984560698	9982.321813	5546.437348	8057.122968	8391.183221	7800.892075	7526.226971	7382.007627	7240.837894	7799.261325	7645.541203	7720.638824	9737.660396	9491.493895	9820.849864	7459.912989	9588.963814	8687.105135	7855.307833	7899.000863
12.50_156.1380m/z	156.1379853	12.50208333	pos	(+)-Muscarine	64739	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C07473	38.8	0	M+H-H2O	C9H19NO2	-1.763028057	2916.084949	2768.195008	3099.674891	2876.048197	2703.12377	2950.845668	2689.216632	3413.551067	3272.133784	2927.567563	2770.661666	2414.858517	2808.998527	2997.904284	3281.605707	3012.490574	3081.580189	3205.592769	2943.07521
12.54_346.2736m/z	346.2736222	12.54093333	pos	Docosahexaenoic acid	HMDB0002183	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C06429	38.8	0	M+NH4	C22H32O2	-1.321090034	12615.66119	9566.399543	14359.53938	16161.74195	17193.43497	17002.62293	12365.95423	11743.09925	13650.5741	10492.9809	14181.66189	14638.78747	11751.58247	11288.99475	16416.19662	15613.95497	10504.07868	10603.77775	16299.33745
12.92_397.2354m/z	397.2354338	12.91935	neg	Ecgonine methyl ester	HMDB0006406	Alkaloids and derivatives	Tropane alkaloids	Unclassified	**	C12448	38.8	0.0116	2M-H	C10H17NO3	2.569737309	2406.531098	1575.398778	1543.475383	1288.0185	618.5239103	1275.881954	1512.187664	4998.651947	6686.76047	403.3497431	973.5184892	5152.002493	1064.000595	1374.88924	1280.928533	1344.95992	1420.478056	1376.647944	1329.315606
13.05_399.0079m/z	399.0079157	13.0464	neg	"3,5-DINITROCATECHOL (OR-486)"	44188	Unclassified	Unclassified	Unclassified			38.8	0	2M-H	C6H4N2O6	3.301026117	3854.038775	3858.838655	4107.028815	4187.595229	3454.736707	4163.277017	4079.956707	3889.929882	3926.743445	4087.53613	3999.112782	4120.601362	3710.698809	4224.650627	3943.243639	3440.138783	4113.639426	3508.507592	3921.644362
13.42_381.1735m/z	381.1735439	13.42078333	neg	S-Japonin	HMDB0035802	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		38.8	3.26	M+FA-H	C19H28O3S	-1.709593498	81735.37837	125813.3335	120832.7471	63634.25258	208882.2205	111914.8624	85154.35476	173352.0229	189503.4265	80284.39855	91594.19161	163689.692	193758.9527	123553.737	100886.1062	84535.58282	95497.93282	90172.25112	114521.2172
13.47_174.1275m/z	174.127453	13.47398333	pos	N-Desmethylselegiline	2402	Unclassified	Unclassified	Unclassified			38.8	0	M+H	C12H15N	-1.57648034	1996.025118	1705.627738	1901.1537	2118.060381	1711.925593	1751.224748	2226.067591	1958.18199	2125.837414	2181.619166	2308.688114	1689.885026	1405.802697	2083.404938	2600.927121	2052.624193	1935.450689	1859.249831	1765.557994
13.74_340.2298m/z	340.2297896	13.74456667	pos	S-Farnesyl-L-cysteine ME	43437	Unclassified	Unclassified	Unclassified			38.8	1.02	M+H	C19H33NO2S	-2.025577421	187254.4285	122368.9779	186505.8428	188902.2322	153630.7814	170206.7373	166559.4146	40878.68779	43288.04499	157856.8422	174016.0607	67375.67214	177422.2696	198129.8378	134020.1167	178406.9729	171617.845	163083.9296	197697.2646
14.92_158.0962m/z	158.096197	14.92076667	pos	Norcapillene	71907	Unclassified	Unclassified	Unclassified			38.8	0	M+NH4	C11H8	-1.633286738	6995.17624	6737.657781	7025.982789	7244.583398	7270.816593	7406.448319	6745.273602	6835.35741	7038.031865	7427.486257	7655.161398	6729.669634	6570.538563	6726.55265	7342.661918	6747.601965	6760.612876	6875.864388	7125.058021
15.74_114.0662m/z	114.0662292	15.73598333	pos	3-(N-Nitrosomethylamino)propionitrile	72998	Unclassified	Unclassified	Unclassified			38.8	0	M+H	C4H7N3O	0.361937377	421.111607	395.1129057	396.0021896	145.5368693	220.3351627	0.000297236	222.6525059	218.5259273	326.8183237	369.1391846	106.8185589	245.642886	512.6103061	591.4435797	460.7360183	629.5530404	220.5207283	192.3502515	87.16826484
2.05_419.1199m/z	419.1198793	2.054766667	neg	Secogalioside	69151	Unclassified	Unclassified	Unclassified			38.8	0	M-H	C17H24O12	0.903388756	163617.5005	193546.382	174403.5415	196579.3326	189779.393	175939.6922	188173.8585	158872.8599	150954.5182	184955.7826	191268.8017	169226.8472	194151.0868	189282.0309	187367.9424	174960.61	198169.7201	193460.8505	241815.5036
2.10_394.9795m/z	394.9794963	2.097366667	neg	Dihydroxyacetone Phosphate Acyl Ester	HMDB0011750	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C03372	38.8	0	2M-H	C4H7O7P	2.258433547	3439.430365	3786.628718	3643.41637	2719.598377	3006.300321	3481.56953	3079.307108	2391.437586	2816.745807	3362.685205	3505.24678	3783.7061	3378.611104	3247.031127	3367.755284	3461.44381	3608.433994	3239.254528	2392.216016
2.92_163.0752m/z	163.0752366	2.92155	pos	Coniferyl alcohol	HMDB0012915	Benzenoids	Phenols	Methoxyphenols	**	C00590	38.8	0	M+H-H2O	C10H12O3	-0.663105343	32388.22753	31768.18941	31072.7153	31422.09885	30776.17867	32304.85016	32382.43874	32032.23747	35079.21702	33150.44257	34153.21132	33518.76349	32233.99729	31338.82059	34009.92768	33231.80895	32539.39085	32789.76434	29575.80009
2.95_230.1028m/z	230.1028236	2.946416667	neg	PRIMA-1	64852	Unclassified	Unclassified	Unclassified			38.8	0	M+FA-H	C9H15NO3	-3.09343538	463.7452938	292.8508521	341.3266191	53.02815943	888.4133999	214.2368297	125.3501052	1863.108792	726.3689815	160.9006658	45.01213491	165.1361726	188.570381	237.7667344	171.7287168	228.0284383	415.8571363	272.8732034	146.1402068
2.96_309.2033m/z	309.2032651	2.9598	pos	"14,14,14-Trifluoro-11Z-tetradecenyl acetate"	LMFA07010328	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.8	0	M+H	C16H27F3O2	-1.058165641	27674.09736	24305.22339	23468.34762	25842.85098	24217.30065	27158.63067	26596.85211	24007.27739	24510.31068	25368.29642	26260.14996	27142.53617	24438.57696	25228.11964	23924.5236	22190.6685	27084.128	25060.64796	22491.84936
3.14_332.2791m/z	332.2791047	3.136216667	pos	2-keto-3-hydroxyoctadecanoic acid	LMFA01060209	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.8	0.797	M+NH4	C18H34O4	-1.369583699	36029.94868	31469.749	34563.77836	34555.68005	32178.38496	36606.30592	35855.27403	34090.07968	36379.32325	33939.2565	35542.7442	35188.86614	32764.9436	32735.50061	33900.90094	33366.48723	37353.81114	34884.21605	31901.07153
3.26_320.2065m/z	320.2064643	3.256383333	pos	Glycerol tributanoate	HMDB0031094	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	*	C13870	38.8	0.101	M+NH4	C15H26O6	-0.992166579	10650.68364	10188.71554	9533.420982	7565.254902	4798.323506	28606.69203	6266.894898	17058.2979	20433.14016	19143.32509	6508.03839	21078.11422	5277.09092	3962.696496	2084.385564	3856.426711	5212.359892	7185.442005	3767.188164
3.28_157.1586m/z	157.1585507	3.276583333	pos	(E)-3-decen-1-ol	HMDB0013810	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.8	0	M+H	C10H20O	-0.902876914	1716.628451	1673.896563	1516.807032	1458.430717	1429.89357	1465.848864	1684.579288	1603.67404	1679.667777	1608.514204	1554.776979	1684.404612	1464.944546	1431.921027	1619.82885	2006.014445	1635.516477	1640.333704	1273.810216
3.37_332.1462m/z	332.1462313	3.374033333	neg	N-Acetyl-ala-ala-ala-methylester	68994	Unclassified	Unclassified	Unclassified			38.8	0	M+FA-H	C12H21N3O5	-0.321493987	604.3859792	641.6772665	607.8814793	658.3449738	596.935604	510.3571567	1049.009539	278.6023764	379.388653	579.7640378	760.8708342	437.5065366	570.8608139	494.34771	642.1476342	723.6240113	623.3125491	787.8480546	774.5346781
3.44_237.1463m/z	237.1463217	3.435833333	pos	4-Acetoxy-2-hexyltetrahydrofuran	92315	Organoheterocyclic compounds	Tetrahydrofurans	Unclassified			38.8	0	M+Na	C12H22O3	0.963975186	3299.820918	3019.062635	2726.104054	2751.970653	2626.055187	3655.750251	3114.794136	2941.954131	2987.122265	3201.000008	2512.666322	3664.830442	2729.481929	2661.776658	2901.03048	2830.475088	3085.128937	3372.338352	2322.978873
3.53_261.0410m/z	261.0409838	3.534466667	neg	BERGAPTEN	43899	Phenylpropanoids and polyketides	Coumarins and derivatives	Furanocoumarins	*	C01557	38.8	0	M+FA-H	C12H8O4	2.417139799	22851.59865	21251.58255	23706.94819	24894.9652	22276.19497	21931.95952	23355.45374	17882.09632	17446.95131	22046.59651	21606.1952	21180.38602	22913.37866	24332.09266	23662.31153	22951.2903	23959.94086	24927.78003	26213.40942
3.53_294.0591n	339.0571251	3.534466667	neg	"6-(1-carboxy-2-methoxy-2-oxoethyl)-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0130027	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.8	0.475	"M-H, M+FA-H"	C10H14O10	1.314850457	141780.5471	148267.5727	150568.8382	152452.8338	145506.7882	143390.1814	153553.0057	134035.6502	128393.1816	148798.6104	157368.2212	140881.9266	145943.871	156885.1386	146757.2417	154393.3481	152931.7145	158969.3256	153203.2461
3.53_484.9875m/z	484.9875405	3.534466667	neg	Thiamin triphosphate	3586	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C03028	38.8	0	M-H2O-H	C12H19N4O10P3S	3.785576589	19950.29241	18258.0705	19107.1186	18939.30517	17731.19131	17472.49225	19220.03343	16967.58532	17470.56731	19283.60429	20693.77357	19986.49066	18913.56449	21290.20089	18534.77607	20641.10965	20200.31388	21058.39983	17273.90959
3.55_337.1139m/z	337.1139204	3.554916667	neg	Pantoyllactone glucoside	95683	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		38.8	0	M+FA-H	C12H20O8	-0.342441374	553.7345867	469.8587463	455.1188758	164.5589126	2302.842174	480.0325236	225.564314	1845.929733	607.0147246	464.4306776	261.2356808	479.9236883	321.0396047	182.0411608	92.85563231	249.6965372	182.9195537	376.341025	277.8798742
3.58_132.0768m/z	132.0767846	3.576816667	pos	3-Cyano-L-alanine	3241	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C02512	38.8	0	M+NH4	C4H6N2O2	0.277690705	1443.023121	1868.374089	1691.877018	1822.96572	1480.164902	1700.075209	1793.620591	2008.36453	1922.456056	1595.663942	1643.900081	1927.711215	1811.36813	1930.088044	1747.761078	1718.027058	1888.197823	1974.653855	1657.564975
3.66_335.1249m/z	335.1249115	3.65935	neg	Dinocton 6	72683	Unclassified	Unclassified	Unclassified			38.8	0	M-H2O-H	C16H22N2O7	0.145625943	7874.005367	7068.754823	7971.855165	9180.611034	7002.67721	7834.110451	5782.429353	5246.736582	5719.635739	7103.168996	8195.017369	7430.805854	7437.756558	7480.813538	9689.328961	8898.634987	8133.940878	10377.8963	9989.312711
3.81_229.1552m/z	229.1551706	3.807833333	neg	Valyl-Isoleucine	HMDB0029130	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.8	3.6	M-H	C11H22N2O3	-2.587352599	657.9155943	656.973071	698.2455721	459.1814731	916.8981137	806.4773307	950.8515352	251.8159391	316.5113994	1047.579172	472.8346765	310.1801556	745.017351	812.6012714	794.7442638	563.8566098	767.9635443	446.5496999	762.5579511
3.89_200.1049n	201.1099109	3.890083333	pos	5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid	87333	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	*		38.8	0	"M+H-H2O, M+H"	C10H16O4	0.377395544	10939.07855	11730.62998	11540.37922	16728.8858	13961.08906	11878.45945	16580.69702	16156.11552	14647.24181	14115.75586	17075.84674	22055.94269	17954.87094	14887.35593	19180.31431	17395.93928	14010.35989	15818.19651	14913.79982
3.89_286.1759m/z	286.1758502	3.890083333	pos	Leu-Gly-Pro	65659	Unclassified	Unclassified	Unclassified			38.8	16.2	M+H	C13H23N3O4	-0.990559048	4374.743323	4715.238655	4546.986512	3235.091598	5112.940176	5474.465078	5648.750664	7600.586318	5400.723937	4575.812094	3866.20547	4158.339702	5975.148983	5240.82841	4333.996036	3711.244646	4645.766942	3244.431393	5405.858557
3.98_456.0501m/z	456.0501361	3.976266667	neg	Carboxycelecoxib	HMDB0060571	Organoheterocyclic compounds	Azoles	Pyrazoles			38.8	12.3	M+FA-H	C17H12F3N3O4S	4.553401561	982.5322572	1188.747578	1151.00161	1229.18257	700.5789184	1590.288935	752.1915142	934.754511	634.8166192	1038.949027	772.7649599	1257.582993	1209.603487	1013.788349	1175.538857	907.2140707	1194.866606	1313.564739	2042.460361
4.00_120.0809m/z	120.0809397	3.9952	pos	nn-Dimethylaniline-n-oxide	6259	Benzenoids	Benzene and substituted derivatives	Unclassified	*	C01183	38.8	0	M+H-H2O	C8H11NO	1.195890446	2318.64214	2190.448349	2281.254841	2447.164571	2161.825648	2705.490375	2430.734712	1669.704125	1424.739714	2407.338324	2240.925303	1265.341502	2673.048525	2637.812612	2538.714341	2024.500427	2341.105492	2196.547376	2988.15185
4.04_327.0721m/z	327.0721053	4.038033333	neg	BERGENIN	43945	Unclassified	Unclassified	Unclassified			38.8	0	M-H	C14H16O9	-0.153467378	2450.029503	1859.924001	2340.716422	2117.068231	1438.644621	2820.85367	1949.224664	626.4536264	0.000297236	3726.027408	1680.242695	984.0268814	2076.902745	1857.599013	2038.692769	1846.067959	1984.455399	1926.210811	1705.986536
4.10_263.1400m/z	263.1399527	4.09935	neg	Eseroline	1935	Unclassified	Unclassified	Unclassified			38.8	0	M+FA-H	C13H18N2O	-0.749070497	197.2618621	249.6878044	190.8527858	176.9045949	354.9150261	290.3391172	387.9986035	68.32852943	0.000297236	374.28416	240.4422758	82.65469029	296.1486738	273.3509748	288.9721207	204.2905945	275.7065959	159.4393811	222.574689
4.10_265.1543m/z	265.1543165	4.098233333	pos	Oxomethylphenidate	1229	Unclassified	Unclassified	Unclassified			38.8	0	M+NH4	C14H17NO3	-1.426231904	1576.702954	2013.886482	1733.258666	1581.432284	2296.693758	1754.689076	2147.577441	922.8270494	604.0011336	2687.733952	1192.465494	561.9382463	2189.422067	2111.664841	2074.923751	1784.153981	1890.274014	1503.526879	2385.54051
4.35_224.0408m/z	224.04076	4.346933333	pos	Oxalomalic Acid	45554	Unclassified	Unclassified	Unclassified			38.8	0	M+NH4	C6H6O8	3.239527005	1104.30132	1209.62696	927.8463745	1598.748568	1046.469682	699.5329997	2564.757437	197.9832265	529.8343089	1509.276237	2053.02964	667.2688722	1586.378676	905.9305645	662.3241959	516.294697	701.2144659	728.3742736	1141.416259
4.41_312.2377m/z	312.2377086	4.410033333	pos	Margaric acid(d3)	96757	Unclassified	Unclassified	Unclassified			38.8	0	M+K	C17H31D3O2	-0.585594079	22906.28912	20027.85344	21709.47776	8249.258236	28250.6486	16652.9667	24054.20235	27965.06022	19098.80098	9909.849745	18802.66356	16796.15029	8641.430434	21623.03567	8986.545246	17988.1284	16446.3126	11691.21338	23708.75314
4.45_214.0628m/z	214.0627521	4.451533333	pos	N-Acetyltranylcypromine	2896	Unclassified	Unclassified	Unclassified			38.8	0	M+K	C11H13NO	-0.685706899	1460.029169	1463.226099	1632.654137	1574.030162	1326.469536	1960.796247	1482.954746	1208.762132	1035.276128	1414.501091	1516.854563	901.8761602	2161.589	1839.171533	1403.087193	1315.833599	1826.380163	948.8186516	2155.848447
4.52_538.2882m/z	538.2881767	4.5199	neg	Syringolin A	71033	Unclassified	Unclassified	Unclassified			38.8	0	M+FA-H	C24H39N5O6	-0.121923912	3498.357536	3320.686346	3399.107367	1145.982971	3495.056686	3029.919254	3534.719322	9944.878192	6486.071179	3605.587759	2559.513623	6594.68474	2437.011268	2659.406515	1769.813356	1372.755919	2108.798436	1137.224691	1891.889553
4.56_234.0879m/z	234.0878796	4.5621	neg	N'-Nitrosoanatabine	73172	Unclassified	Unclassified	Unclassified			38.8	0	M+FA-H	C10H11N3O	-2.830830284	4808.001501	4560.360817	4487.142288	5007.308287	4659.911015	4869.916215	4613.83904	4422.657772	5035.586692	4617.073072	5025.034365	4084.30349	4507.543444	4601.61923	4203.903354	4575.109256	4529.267115	4907.845415	4337.135724
4.58_486.1617m/z	486.1617335	4.583666667	neg	Mandelonitrile rutinoside	HMDB0032803	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.8	0	M+FA-H	C20H27NO10	0.078445504	801.2624193	780.7933682	695.1246281	1947.352899	0.000297236	0.000297236	1314.351121	0.000297236	88.02682277	0.000297236	2868.005951	1728.978948	0.000297236	0.000297236	1105.173568	1452.544789	1392.935819	2097.19242	0.000297236
4.66_241.1044m/z	241.104379	4.656683333	pos	3-hydroxy-sebacic acid	LMFA01170092	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives			38.8	0	M+Na	C10H18O5	-1.216613484	759.4904701	797.8390624	697.9113952	458.06294	380.2318112	459.7918401	213.4905379	4318.432155	923.7472985	388.402775	344.3025061	485.4202459	330.0731036	412.8324208	406.6598814	434.9892349	389.6528635	401.883459	379.485401
4.86_193.0494m/z	193.0493834	4.8594	pos	Scopoletin	HMDB0034344	Phenylpropanoids and polyketides	Coumarins and derivatives	Hydroxycoumarins	***	C01752	38.8	0	M+H	C10H8O4	-0.79041542	1639.178337	1946.690219	1470.674428	1024.188154	1418.010986	1479.569443	1281.686271	1039.218931	1252.003615	1382.172685	1898.599479	1425.926246	1263.169939	1321.848388	1558.253107	1513.391817	1745.743265	1437.645102	1242.648843
4.94_111.0530m/z	111.0530021	4.9422	pos	beta-Alaninamide	73353	Unclassified	Unclassified	Unclassified			38.8	0	M+Na	C3H8N2O	1.346364164	683.5354176	668.2075873	715.8413042	630.6896679	584.7263894	619.1325142	578.5287939	608.2167043	529.2985369	672.8952545	645.6309182	580.9623197	703.2580432	657.6187564	655.8881195	582.8430977	667.7605121	688.6571167	554.9713153
5.02_261.1342m/z	261.1341527	5.017966667	neg	Undecanedioic acid	5846	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.8	0	M+FA-H	C11H20O4	-0.968385164	899.8850789	904.4965736	861.4141293	581.4510269	499.5675545	721.0097656	395.6392154	524.170636	621.9888684	599.0250552	837.6794547	708.8693858	786.618276	598.5148515	502.2903775	729.9481236	521.7230006	614.6271042	492.3370602
5.02_307.0775m/z	307.0775251	5.017966667	neg	4-Fluorophenylacetic acid	1288	Unclassified	Unclassified	Unclassified			38.8	0	2M-H	C8H7FO2	-3.93976253	583.5901851	460.9432479	522.6950178	449.2057819	321.6743185	356.34132	730.4632916	495.9972711	989.6482172	269.4171046	667.6296005	816.1243733	500.2013672	645.5377319	357.7326819	295.8318043	298.0760751	538.0417565	613.883857
5.02_321.0939m/z	321.0939017	5.02275	pos	Thalassemine	65686	Unclassified	Unclassified	Unclassified			38.8	0	M+Na	C8H19N4O6P	1.543142601	5979.475683	5982.938449	6523.79261	6076.407175	5804.263659	6281.900555	6149.272819	5991.513804	4971.204754	6424.201792	6284.458165	6513.79074	5326.018589	6168.264792	6309.354204	6871.316995	6211.117689	5895.541559	6002.471119
5.06_195.0654m/z	195.0653507	5.0602	neg	β-vinyl acrylic acid	34777	Unclassified	Unclassified	Unclassified			38.8	0	2M-H	C5H6O2	-4.752181709	422.3635243	483.5025742	376.5730867	261.2319496	358.6882122	376.0968885	347.2329941	912.7098784	478.7400669	375.506508	318.9617865	560.0616703	327.4091399	276.8080307	368.2732976	279.2350901	274.2165816	299.1161894	264.7272043
5.38_167.1428m/z	167.1427945	5.379533333	pos	(-)-Nopol	HMDB0030002	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.8	0	M+H	C11H18O	-1.487282086	1768.770016	1886.778194	1836.82278	1751.263511	1798.849386	1688.195875	1709.939359	1751.2235	1780.456743	1877.26227	1659.289369	2106.513045	1758.137053	1792.735422	1962.092129	1815.512907	1509.422501	1778.377804	1974.740273
5.70_139.0388m/z	139.0387843	5.7003	pos	2-Hydroxy-5-methylquinone	72151	Unclassified	Unclassified	Unclassified			38.8	0	M+H	C7H6O3	-1.34882209	1377.352567	1256.739535	1289.551063	1270.748921	1158.206647	1435.466273	1290.234451	1411.993001	1266.757691	1289.377307	1258.421945	1358.093353	1335.221209	1578.821464	1411.132968	1067.045313	1343.943261	1317.918084	1175.951636
6.23_228.1599m/z	228.1598939	6.228083333	neg	Tecostanine	68068	Unclassified	Unclassified	Unclassified			38.8	0	M+FA-H	C11H21NO	-3.402785942	2310.147217	2777.093963	2529.216007	2870.350029	2891.971178	2296.61276	3395.514452	3083.307475	2357.143016	3795.605908	2406.267361	3067.235614	4078.71072	1789.930363	2127.1542	2269.561071	2488.165753	2049.909682	3224.758535
6.26_242.1394m/z	242.1393789	6.261483333	neg	2-ethylacryloylcarnitine	LMFA07070030	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.8	0	M-H	C12H21NO4	-1.656705489	1392.83806	1284.687026	1501.703026	572.7079102	1770.026916	1570.605568	660.9239943	3280.41544	2709.035735	1951.403043	841.7970682	1877.513676	864.2623238	891.1088697	942.5051249	653.2531061	1047.598959	883.3153441	837.4581916
6.26_400.2688m/z	400.268827	6.261333333	pos	Sphingofungin E	LMSP01080065	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			38.8	1.73	M+H-H2O	C21H39NO7	-1.287709853	2847.337487	2267.595272	3132.101907	3106.202645	2122.712181	3138.831749	3074.717239	2836.869729	6860.082699	4145.383866	3142.889095	6061.578303	2072.064215	2200.189333	1815.03038	2371.490364	1854.895061	2020.84971	2061.45151
6.38_230.1214m/z	230.1214189	6.37725	neg	DIHYDROFLAVOPEREIRINE	84953	Unclassified	Unclassified	Unclassified			38.8	0	M-H2O-H	C17H17N2+	0.347189559	924.1198489	731.5554391	1019.02562	337.9216489	1019.083731	526.6328033	949.4432081	801.4879519	1517.819939	665.7779039	587.1208872	635.3684332	757.9223102	997.1957813	573.8271236	726.756624	760.101872	316.4419267	501.9276201
6.62_288.1147m/z	288.1146954	6.62325	pos	Desethyleneciprofloxacin	1776	Unclassified	Unclassified	Unclassified			38.8	0	M+H-H2O	C15H16FN3O3	1.357036234	298.1256312	204.8553361	347.4687042	0.000297236	222.9720347	429.8471888	93.30696109	269.5914623	919.9371311	258.7200152	68.98834999	174.2598609	110.4477199	125.3644508	3471.453102	0.000297236	349.5793539	589.2248939	70.93037867
6.72_531.1298m/z	531.1298296	6.7244	neg	Carbamazepine-O-quinone	HMDB0060566	Organoheterocyclic compounds	Benzazepines	Dibenzazepines	**	C16606	38.8	0	2M-H	C15H10N2O3	-2.214368007	1670.447048	987.0268798	1428.919637	803.2503718	648.4905836	812.2176655	1259.113794	616.5731207	3171.036796	707.9187745	846.7756387	2357.754169	4973.345207	918.9604238	743.2518165	1000.307528	1920.131219	722.7405265	1429.35221
6.75_239.9676m/z	239.9676424	6.745816667	neg	5-IAI	96598	Unclassified	Unclassified	Unclassified			38.8	0	M-H2O-H	C9H10IN	-1.211812529	5150.77212	4949.084057	5402.952859	5101.136304	6038.586648	5180.084681	6335.162414	5101.714236	5569.369179	4997.078777	5304.088341	5347.727273	5652.711598	5468.599779	5032.288497	5193.895724	5220.027981	5286.426795	4857.608561
6.85_439.2701m/z	439.2700804	6.852083333	neg	11-Hydroxyeicosatetraenoate glyceryl ester	HMDB0012530	Lipids and lipid-like molecules	Endocannabinoids	Unclassified	*		38.8	0	M+FA-H	C23H38O5	-0.118551364	1819.235696	1299.571748	1955.068245	2910.531434	1637.961707	943.1976467	3274.34193	0.000297236	531.5387497	2944.528932	3569.679577	1238.454087	1503.782544	2848.495486	5278.242998	2771.860441	4780.655916	4944.91374	1681.109059
7.08_227.1283m/z	227.1282872	7.0818	neg	"Methyl 4,8-decadienoate"	HMDB0034708	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.8	0	M+FA-H	C11H18O2	-3.269571568	768.1507003	775.4954136	927.3617668	538.0680734	773.3262633	824.3217335	589.0931604	560.4356452	550.6100769	674.0504121	633.3915798	642.6066163	489.5436423	729.3610443	564.750317	812.4319899	633.6039594	499.8691818	651.1467349
7.44_369.1554m/z	369.1554243	7.44095	neg	"3-Acetoxyscirpene-4,15-diol"	90040	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		38.8	0	M+FA-H	C17H24O6	-0.206888223	1268.031754	1363.321056	1610.216477	1646.727894	1270.859474	2016.059151	1384.945598	1395.845459	1248.383489	1606.566515	1630.382487	1527.210618	1685.650485	1493.470581	1915.871652	1151.584425	1029.169564	1543.774034	1451.702515
7.95_345.2070m/z	345.2070315	7.949566667	neg	Retinoic acid	2277	Lipids and lipid-like molecules	Prenol lipids	Retinoids	**	C00777	38.8	0	M+FA-H	C20H28O2	-0.338092074	1123.593762	978.5110347	878.4396515	1859.071661	193.7611011	769.1538106	1493.189371	106.6512688	145.6810926	252.2474342	3709.86001	505.2527147	844.5404763	1741.577835	975.4399625	1308.229006	1824.38541	2660.120885	395.6216138
8.27_375.2136m/z	375.2135758	8.26905	pos	15-Keto-prostaglandin F2a	HMDB0004240	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C05960	38.8	1.02	M+Na	C20H32O5	-1.757419927	3510.435306	3380.724917	3270.003425	5383.564312	2365.327997	4169.512824	3641.431347	415.7441252	440.9898548	1749.346927	1829.816833	1594.204774	3570.684434	6563.25015	6181.746546	2900.571994	4882.969074	3503.907634	3781.819605
8.57_255.2314m/z	255.2313992	8.56665	pos	Hypogeic acid	45810	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.8	0	M+H	C16H30O2	-1.799509502	4136.157258	3601.268753	3399.913166	4336.04947	3496.780916	4125.044485	4403.999873	4052.772035	4763.836246	4040.898344	3958.596914	4049.189536	3610.654121	3756.848426	4209.510845	4347.71128	4369.701717	3562.725098	3667.503693
8.86_253.1442m/z	253.1441997	8.8575	neg	4-Heptyloxyphenol	69898	Unclassified	Unclassified	Unclassified			38.8	0	M+FA-H	C13H20O2	-1.599839859	1149.386154	1119.860409	1281.078303	870.154094	1928.851381	2125.359741	1106.856048	675.6985555	676.2176136	1862.489934	803.649812	786.1480503	759.4980752	1068.353172	1069.495721	977.1437533	1058.157265	1043.710149	1189.847344
8.97_432.2965m/z	432.2965002	8.973016667	neg	3-hydroxytetradecanoylcarnitine	LMFA07070045	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.8	0	M+FA-H	C21H41NO5	-0.454568908	1547.275357	1140.339422	1585.622806	1103.107423	1959.973968	1846.850914	637.2279463	4223.963943	3946.89311	949.8614724	1323.323092	2768.554256	1654.13312	1913.245634	1089.910955	959.9301789	971.4596453	767.4752379	1041.812961
9.40_307.1551m/z	307.155105	9.39505	neg	"2-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,3,5-triol"	HMDB0133061	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.8	0	M+FA-H	C16H22O3	0.028790172	491.4140175	378.356788	529.203537	400.840321	229.7049664	159.1397649	595.9301117	655.8017326	442.3483941	264.9119199	388.9629807	509.0341662	93.23905448	116.1690801	694.0514906	773.8019778	632.2601191	407.9080116	138.6075534
9.58_217.1583m/z	217.1583232	9.580866667	pos	Valerenic acid	53458	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*	C09743	38.8	0	M+H-H2O	C15H22O2	-1.573791568	3785.939646	4719.762429	4170.953128	4321.519849	4352.401807	4376.256928	3997.821177	3894.400523	4380.631828	4297.835644	4330.12536	4449.368034	3828.245201	3869.054264	4177.692745	4257.692912	4308.153091	3847.940985	4207.243569
9.67_423.1983m/z	423.1983326	9.665583333	pos	Cincassiol B	HMDB0036855	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		38.8	0.0452	M+Na	C20H32O8	-1.514346441	2844.49466	2130.883951	2263.455531	467.490896	584.0769201	373.4722426	440.3151248	32386.92516	410.149166	294.3879626	515.6378969	340.1667211	275.6819672	263.8764508	324.4745068	247.1510461	463.9183432	481.4033422	265.1727814
9.79_283.1527m/z	283.1526954	9.79065	neg	Gamma-glutamyl-Arginine	86035	Unclassified	Unclassified	Unclassified			38.8	0	M-H2O-H	C11H22N6O4	0.937722625	1852.960907	1827.400777	1950.045805	2319.472476	3945.885103	1991.538094	1535.279569	1911.577887	2401.600743	1884.957904	2048.602254	1873.885132	2414.496679	1900.392009	2427.440612	2139.231841	1625.048996	1823.041875	2561.959392
0.20_115.0503m/z	115.0503098	0.195533333	pos	N-Carbamoylsarcosine	62900	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C01043	38.7	0	M+H-H2O	C4H8N2O3	0.802396543	17796.64646	17755.6511	17597.80194	18245.68777	15981.18349	17959.2821	18179.81702	18643.81109	18373.36608	18075.91	19171.52883	16789.03225	17541.90527	16458.18044	18132.66315	17722.35172	17271.0244	18278.06856	17330.77361
0.20_117.0660m/z	117.0659532	0.195533333	pos	"1,2-Diacetylhydrazine"	851	Organic nitrogen compounds	Organonitrogen compounds	Hydrazines and derivatives	**	C16622	38.7	0	M+H	C4H8N2O2	0.855048193	8495.400142	7999.033445	7689.580546	8252.5642	8914.658417	9100.672969	8821.241992	8695.051094	8532.920409	9569.271688	9406.672721	7989.598978	8117.019648	7946.879269	8702.602658	8425.779358	8029.920057	8465.400382	7483.325879
0.21_121.0286m/z	121.0286481	0.2131	pos	"2-Methoxy-1,4-benzoquinone"	HMDB0032576	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.7	0	M+H-H2O	C7H6O3	1.755550281	5333.352155	4196.690597	4896.678818	4887.255448	4582.525851	5339.669454	5085.466611	5373.769067	4789.85178	5201.071209	4966.252322	5162.949981	4788.85551	5147.492005	5344.556926	5233.52253	5056.283418	5255.513673	4787.204247
0.31_168.1512n	169.1584692	0.30925	pos	3-Methyl-3E-decen-2-one	LMFA12000023	Unclassified	Unclassified	Unclassified			38.7	0	"M+H-H2O, M+H"	C11H20O	-1.102721535	52617.38603	53925.93022	52503.85209	52453.556	50353.24953	55279.17504	53238.85087	54373.50598	52575.95238	51855.24603	53960.14984	54013.07705	53552.36095	51843.08366	54325.2211	55295.40895	52300.73338	56716.10214	50112.51455
0.38_101.0964m/z	101.0963981	0.3825	pos	"(±)-1,5-Hexanediol"	HMDB0031490	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.7	0	M+H-H2O	C6H14O2	2.596938337	12046.73167	17181.18935	12729.6349	13820.56024	12323.64525	13579.07357	14763.62601	14393.91107	12315.93283	12328.60927	12372.88845	16474.77798	14685.97966	13098.19226	13598.93259	13636.15056	13112.8982	14046.7835	11488.30974
0.51_103.0393m/z	103.0392877	0.5146	pos	2-Methyl-3-oxopropanoic acid	HMDB0001172	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C00349	38.7	0	M+H	C4H6O3	3.109428486	3204.933786	3263.630275	3081.233551	3085.011689	2623.313586	3168.448152	3051.41055	3012.485566	3254.464736	3032.81778	3313.290719	3307.749084	3075.236782	2222.969261	3032.712126	3224.250709	3041.935525	2922.080622	2840.977376
0.62_267.0574m/z	267.0573732	0.623133333	neg	(S)-Ureidoglycolic acid	HMDB0001005	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00603	38.7	0	2M-H	C3H6N2O4	-3.22203894	8677.774203	7389.487473	9062.289404	11175.00465	6441.142894	6995.522883	6161.2981	5987.971119	5464.149967	7232.062499	9494.823481	9014.908429	9082.243879	8376.525663	8977.856882	9442.621437	9314.590303	11849.00683	8351.851257
0.62_507.2728m/z	507.2727931	0.623133333	neg	"PA(20:2(11Z,14Z)/0:0)"	82346	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates			38.7	0	M+FA-H	C23H43O7P	-0.108516615	2843.602999	4388.67974	4269.898041	6572.567812	8411.856812	3285.674748	3357.463272	4556.125557	1911.344182	5207.18231	6482.12123	6563.927985	4071.734923	4855.66676	6187.138187	2029.134614	5769.120446	1808.145343	4561.252165
0.66_173.0576m/z	173.0576243	0.660716667	pos	"Polypropylene glycol (m w 1,200-3,000)"	88489	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			38.7	0	M+K	C6H14O3	1.2817768	8270.902413	7285.348865	7970.227463	6332.57105	7999.255534	9049.205228	7538.128148	9022.180948	8923.933215	8481.168029	7199.724293	11144.75249	9246.476012	10642.86327	7963.401519	9622.518888	8438.866202	6407.293517	7759.99253
0.66_253.1199m/z	253.1198916	0.660716667	pos	12-hydroxy-10-dodecenoic acid	74546	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.7	0	M+K	C12H22O3	-0.751892957	3983.673215	4318.229104	3438.850782	3859.642171	3567.352565	4444.965551	5286.939303	3920.437489	4103.313003	3291.772094	3068.983637	3750.984433	3429.968699	4032.542661	2657.697559	3359.772044	4561.156609	3609.350498	2428.982959
0.73_182.0788n_2	183.086081	0.729216667	pos	Sorbitol	HMDB0000247	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00794	38.7	0	"M+H, M+K"	C6H14O6	-1.282930513	43054.42076	51020.1079	40288.11977	2732.318476	92378.02599	31666.68997	18309.98012	12519.96507	33315.403	68546.81392	6239.818923	3752.661718	108487.7481	91139.08193	93470.2138	8120.47986	52725.26301	23593.0625	67331.00432
0.76_242.9910m/z	242.9910364	0.764266667	neg	Phosphoenol-4-deoxy-3-tetrulosonate	66160	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C4H7O7P	-0.533510223	1989.171706	2123.652771	2041.62178	2385.763183	2051.881279	2056.725542	1290.056163	1639.855236	936.5084015	1295.890734	1371.570925	1695.330171	1307.995209	868.7095352	1608.566463	744.8908563	1441.904399	2460.956257	2905.253621
0.76_356.0990m/z	356.0990202	0.764266667	neg	Taxiphyllin	HMDB0030704	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	*	C01855	38.7	0	M+FA-H	C14H17NO7	1.01401356	3731.150492	3032.218854	2857.190002	4710.996951	2782.092576	2292.490662	4895.694945	0.000297236	957.3099072	1906.618928	3535.917291	2139.404659	6237.42073	6067.92277	4723.865524	4024.141461	3272.887032	2414.162334	6392.03349
0.78_322.1142m/z	322.1141874	0.781716667	neg	N-Acetyl-8-O-methyl-Neuraminic acid	5736	Unclassified	Unclassified	Unclassified			38.7	0	M-H	C12H21NO9	-0.5182074	2568.255965	2103.326792	1890.694329	1620.677766	1772.955284	2618.149511	2629.828144	3061.447747	2001.203152	2249.085682	1904.785777	2234.460403	2449.540865	1281.511851	1776.429263	1731.779925	1984.805129	1875.515935	2465.533987
0.84_275.0384m/z	275.0384054	0.837816667	neg	p-Hydroxytiaprofenic acid	2845	Unclassified	Unclassified	Unclassified			38.7	0	M-H	C14H12O4S	0.188416675	1424.479978	1832.033494	1795.793594	1664.181611	2458.4223	1827.573347	1488.824255	2854.995091	5524.675394	1203.246807	3636.178973	3772.448547	2305.235402	1796.390993	970.8642526	1106.93541	926.2328086	919.8556038	1094.863748
0.90_316.0415m/z	316.0415358	0.898616667	neg	"3,5-Dinitro-L-tyrosine"	65936	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C9H9N3O7	-2.644196328	9654.963616	9174.689705	9079.42797	9397.374336	10188.58517	10294.90869	8821.099	8570.441966	7745.705359	8557.642259	9608.929831	7467.095059	8086.427685	8654.819631	7936.700049	9292.16403	8728.611159	8842.401665	9781.756987
1.03_151.0493n	174.0385518	1.026666667	pos	8-Hydroxyadenine	HMDB0000542	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.7	0.404	"M+Na, M+K"	C5H5N5O	-0.520699406	40059.11916	39296.75847	35051.50476	73756.51649	39122.57055	24530.63991	58426.57271	30698.81062	68941.16716	22988.36329	49670.99353	16735.14429	46645.05062	43828.64688	16138.34805	17842.07654	19478.8485	30535.04857	11462.81681
1.04_249.0912m/z	249.0912164	1.043083333	neg	Methionyl-Threonine	HMDB0028983	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.7	0	M-H	C9H18N2O4S	-0.940416902	3593.897344	3821.121832	3756.240078	4874.988271	3289.340399	4404.752931	2259.27595	1707.849913	1589.163155	3784.652943	7525.12248	2552.649945	3004.541377	5583.263377	6909.403158	4882.19667	4600.590869	2966.04991	4635.382747
1.06_325.0415m/z	325.0414578	1.063433333	neg	"6-[(2-carboxyacetyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0127482	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.7	0	M+FA-H	C9H12O10	0.743895653	31688.5229	39117.14236	26187.01919	22960.88714	26460.30831	36769.57275	24731.91718	34157.83954	27484.37921	28386.1308	17230.15414	41588.10794	29554.20657	25966.81009	41053.89897	48439.1734	36517.66518	45692.7638	32698.33048
1.12_132.0574n	133.0646585	1.118383333	pos	Cinnamaldehyde	6931	Phenylpropanoids and polyketides	Cinnamaldehydes	Unclassified	**	C00903	38.7	0	"M+H, M+NH4"	C9H8O	-1.005846779	1545.207438	1301.760042	1699.077032	1499.954585	1502.528358	1850.691465	1450.140215	1688.768016	1923.517905	1730.134474	1628.41042	1147.286546	1229.399518	1455.678932	1585.82676	1456.283183	1648.265878	1507.44776	1568.571129
1.12_186.1123m/z	186.1123263	1.118383333	pos	2-Furanylmethyl butanoate	HMDB0037729	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.7	0	M+NH4	C9H12O3	-0.853743361	2802.399163	2676.439291	2870.512881	1853.24307	2257.241369	1634.464346	1559.120779	7124.457497	5305.437379	1850.43339	1469.915461	7355.847623	2520.404215	2703.32103	1718.266277	2017.09738	2186.578744	2399.184663	3551.597978
1.14_132.0769m/z	132.0768615	1.13905	pos	Muscimol	64833	Unclassified	Unclassified	Unclassified			38.7	0	M+NH4	C4H6N2O2	0.951708483	913.4666643	1380.140117	1297.04115	1314.316176	1217.119524	1136.408308	1057.364566	1070.838121	1135.400817	1035.425155	1164.758865	516.830633	818.0792531	1308.357339	702.5583041	747.3337826	1215.641259	901.3751575	913.4605459
1.16_315.0836m/z	315.0836309	1.1608	neg	Clitidine	73464	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C11H14N2O6	0.895488522	1842.160954	1597.261239	1895.680437	3338.223879	3525.659979	1288.039923	2644.393425	4921.099317	3196.408996	672.1511958	1963.278088	4141.013624	1755.357895	1699.024448	1048.063198	2383.792776	1389.543492	1695.757871	1186.705692
1.28_429.1259m/z	429.1258711	1.278416667	neg	Acetyl-maltose	65717	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C14H24O12	2.322300275	28340.33566	41949.64445	42145.1314	21435.89489	71668.00314	19046.76846	34670.27602	131006.9151	32062.74006	16635.17727	20941.75009	17361.46356	38808.40378	24467.44953	19855.57853	18924.30311	20741.91223	25189.828	30688.50876
1.30_283.0684m/z	283.068408	1.297066667	neg	5-Methylbarbiturate	63412	Unclassified	Unclassified	Unclassified			38.7	0	2M-H	C5H6N2O3	0.000989417	1399.219541	1237.72789	1081.34059	908.9242616	1730.114278	1396.666361	579.6558636	1186.449636	482.1221637	2115.863419	554.743424	876.6102775	1308.028713	1060.573119	1161.384856	938.6781811	1895.234943	1349.918681	2396.078448
1.30_402.1097m/z	402.1096534	1.297066667	neg	Azoxystrobin	72363	Unclassified	Unclassified	Unclassified			38.7	0	M-H	C22H17N3O5	0.270817997	8371.038882	7543.418801	5655.204717	7420.49184	7787.462938	8014.379888	5470.326806	5818.445641	4162.275917	6034.603349	5815.646302	6705.789112	9045.093584	6875.89288	9865.859531	7757.530497	6990.579692	10136.9995	10763.50901
1.34_239.0314m/z	239.0314316	1.335283333	pos	ISOBERGAPTENE	43733	Unclassified	Unclassified	Unclassified			38.7	0	M+Na	C12H8O4	-0.221401005	1086.591795	1204.673658	841.3441772	153.2660614	1180.99761	236.2334806	266.855568	2640.302541	3407.116314	0.000297236	927.8024438	1376.176078	1041.327044	1201.516052	1181.005106	760.1505438	795.710142	589.0971065	1257.212851
1.34_423.0861m/z	423.0861139	1.336933333	neg	Urolithin B	85254	Phenylpropanoids and polyketides	Coumarins and derivatives	Unclassified			38.7	0	2M-H	C13H8O3	-3.060316172	2354.396043	2061.26283	2176.214127	141.4875881	2961.127741	83.77373341	448.0287784	15548.18259	11585.75363	263.500459	367.1074114	2700.770963	562.6235679	3272.716026	1983.231613	961.6093264	1034.206325	511.0700182	1653.521744
1.42_181.1223m/z	181.1222942	1.417983333	pos	Dihydroactinidiolide	HMDB0035240	Organoheterocyclic compounds	Benzofurans	Unclassified			38.7	0	M+H	C11H16O2	-0.066392282	15049.52197	14422.93855	14150.58402	15000.14118	13762.34335	15131.56162	14424.54018	13690.12288	14565.5351	14398.67533	14371.66783	15007.8643	14746.06892	15069.77362	15734.39168	15681.07026	14272.75403	15106.21292	13765.55475
1.42_197.0559m/z	197.055881	1.420133333	neg	Succinimide	66615	Organoheterocyclic compounds	Pyrrolidines	Pyrrolidones		C07273	38.7	0	2M-H	C4H5NO2	-4.540941998	474.934936	531.9500174	485.8465757	580.2746692	128.1081354	294.3715008	585.2359718	520.3743678	180.7617764	346.4515641	379.6968073	1136.369812	660.868781	566.0376713	383.5028031	310.1000445	294.3495042	251.2045604	721.249388
1.44_277.0864m/z	277.086391	1.44135	neg	Methionyl-Glutamate	HMDB0028972	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.7	0	M-H	C10H18N2O5S	0.088912808	347.9664507	284.4828116	370.6165959	199.7214446	272.1952779	225.9752743	322.7376298	134.9103479	105.6451164	250.1998114	167.3362085	155.8219003	396.8570338	337.5630929	341.1145923	261.4901701	325.3703101	197.5315084	457.0325429
1.48_267.0985m/z	267.0985178	1.48375	neg	Musk ambrette	73155	Unclassified	Unclassified	Unclassified			38.7	0	M-H	C12H16N2O5	-0.475289067	463.6995982	427.5257111	436.4899985	310.7091327	725.0647358	525.4069591	757.4825785	209.4640249	107.3998226	846.4093655	437.6635854	85.81433517	603.049203	671.9730776	497.3031736	346.0617884	578.6224714	300.4596732	531.9001142
1.51_304.1500m/z	304.1500056	1.513233333	pos	6'-Dehydro-6'-oxoparomamine	71792	Unclassified	Unclassified	Unclassified			38.7	0	M+H-H2O	C12H23N3O7	-0.953535301	7474.26401	8305.27715	7704.56531	7004.517088	11226.90225	9178.13827	9067.951026	5271.2176	3769.687318	8854.771212	8126.500112	3563.987133	9277.730349	9547.013921	10019.24992	6905.236903	8903.294825	6493.062187	12465.62543
1.61_175.1441m/z	175.1441011	1.613583333	pos	Tranexamic Acid	HMDB0014447	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C12535	38.7	0	M+NH4	C8H15NO2	-0.020151564	2407.474945	2506.734515	2297.022412	2599.303824	2266.224764	2583.624761	2255.819435	1590.824461	1580.24234	2770.311081	2174.32533	2138.180402	2876.934246	3005.641575	2702.664567	2976.669476	2887.720513	2638.0404	3058.151367
1.72_203.0552m/z	203.0552209	1.718133333	neg	Succinic acid semialdehyde	275	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C00232	38.7	0	2M-H	C4H6O3	-4.365359444	444.8282511	434.3025756	332.2418898	358.4919117	137.0806644	294.3826227	85.69710962	437.3326098	737.2144141	139.7322083	146.6001864	849.4934892	236.2794652	201.5518134	282.1232487	361.8004381	258.1642463	314.8015377	338.4921312
1.90_262.1437m/z	262.1436502	1.903316667	pos	Encelin	67666	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*	C09404	38.7	0	M+NH4	C15H16O3	-0.490527541	11486.6902	10410.47723	10656.26748	11094.23825	10295.69131	10528.21186	10958.35973	10495.52114	11458.97919	10790.33762	11318.45219	9528.842311	11207.39807	11331.41141	10724.14836	11618.47205	10066.90821	11696.36682	9991.25854
1.96_201.0756m/z	201.0755822	1.9633	pos	Triacetin	LMGL03012615	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	*		38.7	0	M+H-H2O	C9H14O6	-0.768887539	237.3769725	394.2414113	313.3292923	82.99855381	206.1166833	185.0904636	73.13020275	3879.441535	848.9122129	184.0530875	66.62739188	251.1938575	80.57039944	124.9783543	122.9912316	219.990707	291.2870701	269.9940596	114.6349111
10.25_392.2925n	437.2904706	10.25406667	neg	Ursodeoxycholic acid	HMDB0000946	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	***	C07880	38.7	0	"M-H, M+FA-H"	C24H40O4	-0.323824221	7670.06031	7483.58012	8111.756388	12184.01401	8216.451939	3444.547837	9508.831701	0.000297236	0.000297236	8990.708954	10281.19061	193.9103224	4776.186643	5549.274608	13705.96143	11236.29241	22173.04126	17590.5264	3104.619601
10.28_297.2661n	320.2553191	10.27795	pos	"2S-amino-octadeca-4E,6E-diene-1,3R-diol"	LMSP01080059	Unclassified	Unclassified	Unclassified			38.7	2.14	"M+H-H2O, M+Na"	C18H35NO2	-2.140377601	9972.457985	9246.766484	11205.45957	7919.219639	15615.40086	5221.812264	22329.12625	19305.8996	6225.364556	17818.88193	8376.017819	4772.476892	9790.128344	15505.2128	5929.97682	5280.81512	5119.757114	6782.022174	7842.379556
10.36_259.1899m/z	259.1898804	10.36063333	pos	Diethyl decanedioate	HMDB0040429	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.7	0	M+H	C14H26O4	-1.957420715	3680.426378	2981.426306	3065.229713	3124.129511	2853.790418	3595.130686	3374.382259	2855.419388	3148.975002	3440.566071	2981.861986	3463.486572	2759.078914	3145.093458	3825.58606	3612.301248	3065.367498	3089.05663	2745.82675
10.55_281.2483m/z	281.2483149	10.5516	neg	"4Z,8Z-Heptadecadiene"	LMFA11000132	Lipids and lipid-like molecules	Fatty Acyls	Hydrocarbons			38.7	0	M+FA-H	C17H32	-1.223278196	623.7758035	643.7485717	503.7517075	378.0801495	559.0491029	730.2926992	641.3460989	755.1313364	780.5240667	378.4104306	360.5992338	895.2871912	591.2326471	360.4217787	290.1014554	432.8251379	469.5183965	287.2365021	338.9189739
10.68_496.3648m/z	496.3647967	10.67961667	neg	"(11Z,14Z)-eicosadienoylcarnitine"	LMFA07070011	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.7	0	M+FA-H	C27H49NO4	0.963215757	694.2350633	689.0972201	438.2741241	626.7734231	294.3901738	378.9345542	912.6246881	2064.786761	612.3547384	366.0800034	221.1765463	1254.631015	494.105014	581.8497516	337.8290364	554.707873	729.9795994	232.9923054	0.000297236
10.76_327.2521m/z	327.252147	10.75505	pos	"11-methoxy-12,13-epoxy-9-octadecenoic acid"	74818	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.7	7.33	M+H	C19H34O4	-2.571761783	9552.820778	10809.38142	11393.89932	12325.22191	10744.79344	10742.56319	11726.6943	10242.21313	9756.479537	9720.095657	10861.71138	12048.85711	10821.20462	12580.47658	12211.18626	11590.02386	12190.33449	12480.23397	10307.62992
10.78_339.1145m/z	339.1144856	10.7763	pos	"1,1-Diphenyl-2-(4-methoxyphenyl)propene"	70669	Unclassified	Unclassified	Unclassified			38.7	0	M+K	C22H20O	-0.292235704	3633.351575	3524.404359	3907.469256	4754.663758	5098.056403	4221.181163	4552.740663	2472.643619	3717.50617	4766.416444	4472.342322	3632.588542	5717.201915	5813.081443	5100.802354	6299.810003	4830.922497	5460.956635	5778.36673
10.80_478.3889m/z	478.388877	10.79778333	pos	"(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol"	HMDB0033634	Lipids and lipid-like molecules	Steroids and steroid derivatives	Ergostane steroids	*		38.7	1.89	M+NH4	C29H48O4	-0.452962753	6143.133832	5245.458848	5726.05884	4162.897922	5978.79864	6528.513343	7051.959693	8828.336094	7724.142934	7328.633604	4143.197653	7795.388382	5211.26821	3025.134519	4622.896319	3577.240694	5104.850473	5011.890804	4503.900715
10.91_441.2757m/z	441.2756877	10.9122	neg	L-Phenylalanine n-butyl ester	3539	Unclassified	Unclassified	Unclassified			38.7	0	2M-H	C13H19NO2	-0.437696845	660.6459756	664.5367364	425.0657806	1213.884424	1023.03866	780.7203448	581.5672119	821.9997837	607.7377311	676.0930483	875.8213034	1201.863217	790.6236315	710.8610969	678.4994546	1342.622078	512.2294418	1205.77799	846.3579146
10.92_479.3369n	480.3442117	10.92275	pos	PC(O-16:1(9E)/0:0)[U]	40368	Unclassified	Unclassified	Unclassified			38.7	0	"M+H, M+Na"	C24H50NO6P	-1.334440364	263993.1869	271431.0098	258089.5234	269217.3844	329403.929	352575.1269	271978.7819	318644.6775	291865.0696	285135.4787	262817.4098	278971.4318	276776.7289	280364.5621	276283.8314	248340.1125	280734.9356	262635.6743	261249.5613
10.98_901.2001m/z	901.2001152	10.9761	neg	Flumazenil glucoronide	2727	Unclassified	Unclassified	Unclassified			38.7	0	2M-H	C19H18FN3O9	2.191181352	9601.492812	8120.171846	6662.081964	8363.936748	7295.86576	9423.514959	8904.141061	9275.944308	9995.835933	10511.90518	9185.250313	7789.312096	8009.014591	6716.651393	9273.794746	8017.600262	7991.07314	7481.069758	8348.345254
11.00_329.2469m/z	329.2469283	11.00345	pos	Neogrifolin	HMDB0030053	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		38.7	0	M+H	C22H32O2	-1.762219093	3155.034024	2187.534715	3013.346176	3729.620317	1794.912572	1847.567101	1988.468049	9621.747649	4654.652261	1994.63023	1931.222448	8033.722744	2451.922956	2285.180883	2343.397551	2190.845602	1842.253111	3695.806779	3135.090711
11.23_190.0495m/z	190.0495271	11.23123333	pos	N3-Metyladenine	66285	Unclassified	Unclassified	Unclassified			38.7	0	M+K	C6H9N5	3.797243893	4342.46198	4472.869809	4432.364299	5072.640312	4669.277796	4668.85994	4943.453737	4640.616303	4519.763415	4621.865452	4498.207789	4892.009877	4455.06307	3945.22004	4754.427066	4967.720285	4756.749381	4842.471418	4542.364484
11.29_205.1947m/z	205.1947386	11.2942	pos	(-)-trans-Caryophyllene	64101	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	**	C09629	38.7	0	M+H	C15H24	-1.65847531	3362.863857	2569.987681	2898.928476	3461.271415	2782.379854	3243.28576	3150.687637	2690.267851	3593.546129	3751.52984	3983.297968	3457.293281	3175.503647	2712.523196	3222.875346	2771.0898	2728.014453	3143.186355	2860.11394
11.57_636.3491m/z	636.3491421	11.57193333	neg	Allodesmosine	95178	Organic acids and derivatives	Carboxylic acids and derivatives	Pentacarboxylic acids and derivatives			38.7	0	M-H2O-H	C30H51N6O10+	0.482702955	355500.1319	334629.7522	320833.0026	322826.9476	332134.8893	339451.0028	391728.1752	278691.2647	310807.8413	291998.058	343163.1713	360187.5156	380317.2182	383752.3449	365829.6645	365001.0907	389893.5138	331223.1222	323673.867
11.70_239.0667m/z	239.06668	11.69991667	neg	4-Aminohippuric acid	HMDB0001867	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives		D06890 	38.7	0	M+FA-H	C9H10N2O3	-3.426975602	935.5969377	1091.731928	1032.034248	959.6988597	963.1279062	1043.370718	1179.593885	885.1590129	1122.336699	1026.652372	1193.614492	998.4777477	925.7367963	1099.579453	1108.439587	1078.035837	1076.153779	1019.094542	769.4067393
11.85_364.3412m/z	364.3412371	11.85016667	pos	1-O-(2R-methoxy-hexadecyl)-sn-glycerol	LMGL01020039	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols			38.7	0	M+NH4	C20H42O4	-2.593839271	78114.43923	55037.08431	76477.9335	75716.18511	70576.11088	74917.63928	72538.01064	70423.8426	72406.95988	75495.56801	76426.05616	57425.7863	57996.8424	66124.09262	64889.20065	67535.04215	67171.33906	68592.29868	65624.37538
11.85_478.2937m/z	478.2936502	11.8477	neg	Glycerophospho-N-Oleoyl Ethanolamine	45335	Unclassified	Unclassified	Unclassified			38.7	2.44	M-H	C23H46NO7P	-0.548308962	6199.235637	6859.675762	7160.559965	6472.997386	7204.761757	7692.506408	8767.916055	1185.431156	1657.974061	7352.673937	6894.945332	4973.865226	11416.76128	11244.38936	8996.425346	11382.08469	9671.231314	6861.216168	10917.28787
11.93_478.8474m/z	478.8474067	11.93223333	neg	"3-(3,5-Diiodo-4-hydroxyphenyl)lactate"	HMDB0059636	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified		C04367	38.7	0	M+FA-H	C9H8I2O4	-4.611869945	1691.847614	1428.317591	1962.446233	1616.252702	1947.624058	2134.475787	2052.397588	1803.670762	1876.745493	1515.587923	2072.017992	2298.207322	1537.96262	1960.199234	2051.100993	1895.401661	1878.995998	2297.121887	1632.030892
13.09_368.3165m/z	368.3165049	13.0854	neg	N-Cyclohexanecarbonyltetradecylamine	45013	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C21H41NO	-1.586494906	612.7537392	492.4211069	776.4360599	1283.300826	808.433772	1022.868172	540.5874454	543.045916	390.1720489	436.521437	870.7946847	927.0444851	738.3600329	1073.144492	967.3531074	955.7060551	827.1181944	1532.352618	1201.237608
14.15_165.1132m/z	165.113241	14.14813333	pos	1-(2-Pyrimidyl)piperazine	1450	Unclassified	Unclassified	Unclassified			38.7	0	M+H	C8H12N4	-1.412654918	65507.88389	50103.94673	64611.07804	64167.15544	63942.56715	64315.2124	65171.84461	67454.55995	65101.3247	65097.95504	68114.21535	55307.92144	60981.59708	60672.03082	64242.4036	68065.29614	66602.61432	68682.02617	65100.56693
15.15_358.2767m/z	358.2766771	15.14918333	pos	"(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol"	70206	Unclassified	Unclassified	Unclassified			38.7	0	M+NH4	C20H33FO3	4.345309633	4607.601817	3142.063131	5004.704013	4922.150339	5195.621533	6719.622354	4807.924074	1312.837376	1085.99699	3347.869814	6115.823177	2149.4836	4868.414843	4838.278885	4251.693031	7489.908058	5074.546961	4395.747176	6281.390311
15.31_430.9949m/z	430.9948787	15.30681667	neg	Salithion	72740	Unclassified	Unclassified	Unclassified			38.7	0	2M-H	C8H9O3PS	0.350903226	2234.129322	2460.263591	2876.633507	1704.199817	1981.509659	1762.37596	1725.046344	2145.851853	1936.440553	2618.257653	1756.852921	1888.043438	2016.606828	2834.380722	2108.533972	1806.674165	2116.787064	2974.647372	2058.446976
15.76_117.0549m/z	117.0548874	15.75651667	pos	alpha-Ketoisovaleric acid	HMDB0000019	Organic acids and derivatives	Keto acids and derivatives	Short-chain keto acids and derivatives	**	C00141	38.7	0	M+H	C5H8O3	2.2998094	4453.09264	4360.809251	3982.853964	3840.700898	3940.052748	4043.164607	4170.149621	3920.960564	3687.673475	4191.578161	4447.011703	4104.559561	3668.981078	4029.880558	4711.032001	4028.402498	4322.615081	4360.639403	4266.090885
16.00_118.0144m/z	118.0144023	16.00153333	neg	Glyceryl 1-mononitrate	1585	Unclassified	Unclassified	Unclassified			38.7	0	M-H2O-H	C3H7NO5	-1.305237081	186.1491782	243.6177567	317.971179	178.0826163	142.560326	194.0646778	168.9881304	225.2056334	208.986492	164.2769899	174.7385862	186.3908189	271.065145	141.5631291	188.8243313	246.0378092	122.0888879	125.1603644	98.84127313
2.29_266.1032m/z	266.1031947	2.288683333	neg	bk-MDEA	96731	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C12H15NO3	-0.91146245	375.0169954	404.9522545	364.8529644	568.6719571	83.55528633	311.0747917	73.05248396	707.655933	802.5573821	119.1655685	277.633026	1123.738662	254.811542	139.6536085	323.1505064	175.1697962	239.057032	535.8441104	465.7114945
2.43_163.0753m/z	163.0752598	2.432183333	pos	"2-Phenyl-1,3-dioxolane-4-methanol"	HMDB0031240	Benzenoids	Benzene and substituted derivatives	Unclassified	*		38.7	0	M+H-H2O	C10H12O3	-0.534340175	14526.12175	13289.41831	12849.54703	13538.40661	12329.98846	14114.92355	13847.43052	13882.51669	13068.64747	13913.95756	15150.04885	13916.49157	13290.09472	13278.83233	14572.82906	14387.0992	13238.2843	13795.69888	12760.77518
2.75_244.0992m/z	244.0991672	2.754933333	neg	desethylzaleplon	HMDB0061055	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives			38.7	0	M-H2O-H	C15H13N5	-0.331154387	500.5871245	371.7822102	516.005397	704.8284966	481.8963791	718.3188068	725.7342174	112.6010682	250.201209	648.6152016	363.6619727	430.569833	679.634969	763.967203	497.8025267	552.3261988	398.1004406	486.4692606	511.9021531
3.12_117.0911m/z	117.0911281	3.1174	pos	Caproic acid	HMDB0000535	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C01585	38.7	0	M+H	C6H12O2	1.050933572	5087.871017	5289.937397	4993.361878	4808.168314	4841.216209	5135.712293	5025.568361	4985.752358	5657.559715	4842.628174	5270.33959	8333.528465	5402.152424	5067.541203	5805.486001	5328.326589	4761.69299	4895.812154	4268.591104
3.25_310.1156m/z	310.1156319	3.2506	neg	N6-Methyl-2'-deoxyadenosine	66047	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C11H15N5O3	-0.227717116	2490.431184	2390.102667	2282.524591	2819.552954	2519.635456	2257.470262	1449.604703	2231.739631	2863.993605	1419.041864	1756.631474	5556.564555	2356.702268	2723.525594	2895.93989	2871.609598	2380.281941	2516.630955	2422.562091
3.37_251.1034m/z	251.1033988	3.374033333	neg	Phenylethylmalonamide (PEMA)	2084	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C11H14N2O2	-1.609548319	343.0419953	277.4878207	460.041609	208.9074292	655.1453672	354.5757744	792.0437119	214.1512255	131.6259788	679.0669703	351.1061091	133.6646298	526.6967853	541.6330325	528.1625996	481.380546	513.2551772	294.980534	610.6514346
3.64_283.0101m/z	283.0101209	3.640283333	neg	Thien-2-ylacetate	65796	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified		C02595	38.7	0	2M-H	C6H6O2S	-1.068629797	35774.19239	34082.95376	35193.76403	37412.03299	38320.31996	34706.13339	36069.23545	34884.36343	33379.62115	39664.94314	35681.79069	27485.72674	36940.51416	35214.99686	40440.50854	40268.65496	40003.80888	32239.51532	35152.99589
3.70_281.1131m/z	281.1130824	3.699366667	pos	L-beta-aspartyl-L-phenylalanine	HMDB0011167	Organic acids and derivatives	Peptidomimetics	Hybrid peptides			38.7	0	M+H	C13H16N2O5	-0.412823594	4391.578041	4751.010907	4503.701735	3724.853465	4947.863308	6131.834331	4329.993325	3247.806173	3509.823019	5954.452909	4104.918697	4512.719884	5474.504973	5667.36965	4800.886583	4187.889061	4902.633328	4258.567155	5567.734741
3.76_349.0992m/z	349.0991654	3.764833333	neg	Vicine	HMDB0034073	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C08437	38.7	1.22	M+FA-H	C10H16N4O7	-3.079102692	7067.337753	7250.053877	7250.956416	6240.672411	7827.499391	7717.556401	6969.261721	7555.796062	7803.110185	8072.953228	6948.107191	8041.18841	6649.045608	6602.959877	7774.983531	6752.906215	7560.563497	7114.592307	7575.532222
3.80_231.1699m/z	231.1698599	3.80485	pos	3-nonenoylglycine	HMDB0094808	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.7	0	M+NH4	C11H19NO3	-2.153938629	5521.839239	5151.556506	5602.45453	4432.903244	6690.024985	6184.765471	7547.650757	3197.220634	2207.564174	7934.762139	5284.727928	3451.790205	6800.83134	6681.740487	7145.886959	6860.147056	6052.222935	4319.614152	6770.651988
3.80_309.2036m/z	309.2035691	3.80485	pos	10-hydroxy-16-oxo-hexadecanoic acid	LMFA01170060	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.7	0.183	M+Na	C16H30O4	-0.213160424	5725.645636	5398.023588	5166.247269	5363.030777	5629.93158	5281.689172	6002.723845	5327.85524	4305.861964	5113.326673	5753.959374	7182.395625	4777.542072	5610.550295	5766.423616	7384.450091	4538.459868	5276.959085	5117.899129
3.83_144.0655m/z	144.0655114	3.82585	pos	"benzene-1,2,4-triol"	HMDB0124831	Benzenoids	Phenols	Benzenetriols and derivatives	**	C02814	38.7	0	M+NH4	C6H6O3	-0.064804411	2914.119715	2654.223118	2824.681228	2395.425564	3682.905972	2920.85803	3475.011976	2813.535918	2356.157175	3914.67719	2848.454601	2750.0452	2947.612065	2911.255915	3069.3022	3034.955283	2718.993508	2620.506418	2720.479076
3.87_263.1399m/z	263.1398539	3.868866667	pos	N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboximidic acid	HMDB0139612	Benzenoids	Phenols	Methoxyphenols			38.7	1.13	M+H-H2O	C14H20N2O4	2.980681612	2756.358464	3158.275595	2892.142509	2314.376542	4015.285052	3154.812512	3013.954753	1577.40246	1068.700878	3948.384737	2688.021198	1588.187303	3619.656863	4323.562608	3555.73321	2669.911273	3593.518189	2234.433932	3546.613058
3.91_214.1072m/z	214.1072456	3.91085	pos	(S)-Batatic acid	90977	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.7	0	M+NH4	C10H12O4	-0.707661806	1093.865824	975.0915143	1006.600334	818.5437666	1786.800885	913.012463	686.6357479	2062.523583	1653.91308	624.4493837	784.5240948	1413.724615	880.9803284	1184.485542	843.1942295	771.696494	818.1472046	690.208717	1109.68897
3.93_174.0218m/z	174.0218205	3.930916667	pos	Piloty's Acid	44964	Unclassified	Unclassified	Unclassified			38.7	0	M+H	C6H7NO3S	-0.693629199	7078.431017	7597.599048	6689.671694	8003.816844	4677.371913	4779.500647	3574.422041	11579.4728	11942.39653	4050.454636	4193.980973	22156.1062	3260.311631	3511.47177	6266.176779	5394.356061	6159.798508	8412.367602	6743.836665
3.93_302.1959m/z	302.1959423	3.930916667	pos	Alpha-dihydroartemisinin	HMDB0060593	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		38.7	0	M+NH4	C15H24O5	-0.904900434	1977.330819	1566.555304	1560.257797	845.3923777	2445.663934	4452.825506	1005.481232	2416.991849	3458.506413	3530.728505	860.6246453	2334.324975	1021.209387	802.2087556	662.4228727	823.9542722	596.1003652	529.7117762	1329.413431
3.96_378.0919m/z	378.0918527	3.9553	neg	Ethalfluralin	72592	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C13H14F3N3O4	0.027661105	556.8052996	574.2148145	560.0275406	444.6370709	695.5792837	545.6334785	470.7555922	774.2979417	943.9441696	682.262182	407.5071855	701.4663474	609.0217217	486.4004056	538.450729	527.1679336	701.8325714	499.736973	584.5042026
4.06_206.0480m/z	206.0480087	4.0574	pos	4-Sulfobenzyl alcohol	66489	Unclassified	Unclassified	Unclassified			38.7	0	M+NH4	C7H8O4S	-0.779398612	3742.68312	3573.315244	3752.906032	3304.787763	3719.782694	4360.921525	4078.779796	5237.402912	4636.547675	2339.373988	3428.438384	3774.588008	2972.543456	2862.4467	3859.561809	2858.739146	3396.527676	4033.861069	4711.019738
4.06_237.1466m/z	237.1466388	4.0574	pos	10-hydroxy-11-dodecenoic acid	74547	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.7	0	M+Na	C12H22O3	2.444535565	1344.761621	1288.609168	1291.204331	1120.138555	1176.164614	1593.078096	874.8404204	844.0508445	863.6269022	1170.394245	891.4485428	1266.140432	771.4544186	1411.238776	1417.601511	1433.161405	843.3878066	1270.25437	1213.475992
4.22_539.3189m/z	539.3188645	4.224166667	pos	IC202C	LMFA08020184	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			38.7	2.37	M+Na	C23H44N6O7	4.834270016	11442.23994	12320.75299	11705.93026	11272.38629	11111.05878	13484.88415	12581.832	7917.427887	4984.795297	11627.83791	13751.9647	4569.827712	14111.86688	15362.17631	13083.05784	13803.74887	11185.89557	15350.21375	17632.0605
4.23_245.1390m/z	245.1390491	4.225533333	neg	"3-Hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane"	102868	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C11H20O3	-1.989748464	293.6943337	226.4723953	318.8787306	27.98866181	239.7010874	456.4373969	77.0331651	1803.748359	581.9675739	436.483601	160.0777857	213.9104182	83.80545895	182.7424625	205.2091784	89.62560846	145.5610838	61.13568653	59.5005734
4.26_160.1331m/z	160.1330538	4.26365	pos	DL-2-Aminooctanoic acid	HMDB0000991	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.7	0	M+H	C8H17NO2	-0.951825507	3638.437496	3600.104776	3177.303654	3364.149855	2935.803286	4953.321589	3203.392452	2727.647182	4315.152582	4571.946367	3279.814199	3184.337436	2815.536953	3110.286832	4343.97581	3298.951982	3873.367684	3504.077789	2733.501172
4.28_300.1802m/z	300.1802236	4.284433333	pos	Cynaratriol	90349	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		38.7	0	M+NH4	C15H22O5	-1.15437901	3356.931678	3393.493841	3526.862052	2113.417533	2133.186525	6445.330309	2055.604249	8537.537706	6981.221467	2957.503904	2200.06048	5527.192497	2058.856734	2527.725161	1815.517972	2201.816021	1657.236177	1722.658386	2342.092176
4.37_577.2549m/z	577.2549195	4.372916667	neg	"7,8-Dihydro-14-hydroxynormorphine"	1401	Unclassified	Unclassified	Unclassified			38.7	0	2M-H	C16H19NO4	-1.072629129	372.6577942	413.1182156	285.9645348	431.2498598	126.3683815	359.2164444	547.1878434	434.1342879	220.5419195	770.8784058	340.9430418	362.8813553	446.1106694	477.7454631	334.8928088	281.4525699	456.2512244	113.5278933	771.0473998
4.41_243.1335m/z	243.1335462	4.410033333	pos	L-4-Hydroxy-3-methoxy-a-methylphenylalanine	1219	Unclassified	Unclassified	Unclassified			38.7	0	M+NH4	C11H15NO4	-1.720475853	1550.222697	1802.659116	1728.938604	1766.405366	1127.848248	1494.614706	1077.122527	2607.005975	1999.390821	1268.031981	1143.541665	3765.883989	1727.496827	1322.195737	1585.126763	1425.248318	1438.474478	1739.69283	1887.178842
4.44_269.1006m/z	269.1006203	4.4373	neg	Adenine	85	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	**	C00147	38.7	0	2M-H	C5H5N5	-4.048863856	908.1398017	940.7698558	1096.593601	477.5987709	785.3241244	1484.575968	521.5986664	1540.602111	1981.215646	1495.833539	684.593026	977.8866504	540.3103293	768.643779	640.0004608	372.1584266	637.4234721	585.1927932	509.6369093
4.52_407.1223m/z	407.1223069	4.5199	neg	Trifloxystrobin	72367	Unclassified	Unclassified	Unclassified			38.7	0	M-H	C20H19F3N2O4	-0.265768345	1143.928567	1370.065029	1396.04284	5361.794731	1045.764535	292.798805	1182.170942	1660.69159	974.9979389	196.9690997	1128.729065	2276.027624	827.8226797	1423.955578	1050.616618	1062.337819	2264.979322	1288.269872	651.1080742
4.54_213.0762m/z	213.0761602	4.5414	neg	4-Ipomeanol	HMDB0030472	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.7	0	M+FA-H	C9H12O3	-4.086698076	437.4314735	574.6578614	528.0806713	263.9280515	382.6392069	214.7583366	217.2881876	667.0989864	277.1946331	172.714678	275.2766823	158.9609986	319.9567916	187.2022379	299.3578284	278.4873421	213.6844743	282.5371663	249.2325244
4.58_276.0875m/z	276.0875077	4.583666667	neg	Nitrothal-isopropyl	72634	Unclassified	Unclassified	Unclassified			38.7	0	M-H2O-H	C14H17NO6	-0.808066301	530.4120885	501.3257068	581.0729733	552.1008504	382.2244848	434.8041887	200.8475473	593.9643852	689.8012428	409.0488442	354.2901372	765.087447	378.3792348	308.3115826	620.9157603	610.5624357	404.8995425	951.498216	854.1630715
4.69_372.2138m/z	372.2138361	4.689533333	neg	DIPROTIN B	44661	Unclassified	Unclassified	Unclassified			38.7	0	M+FA-H	C16H29N3O4	-0.529430738	3218.047744	3064.279489	3275.845506	3916.412053	3557.995427	2524.60981	5115.018055	1794.615195	2208.706011	2349.800153	4511.939918	2801.815199	3543.626097	3733.51529	3108.353826	3375.692657	3221.974449	3441.813319	3848.124461
4.71_223.0240m/z	223.0239929	4.7107	neg	2-Furoic acid	HMDB0000617	Organoheterocyclic compounds	Furans	Furoic acid and derivatives	**	C01546	38.7	0	2M-H	C5H4O3	-3.653949021	1327.542798	1324.826014	1355.742651	1309.288082	1430.961437	1479.377002	1559.23403	1365.236088	1496.87497	1388.37114	1516.173785	1306.33234	1308.147231	1308.474596	1569.316757	1425.047918	1350.186526	1476.929817	1197.561561
4.73_203.1279m/z	203.1278795	4.73175	neg	"3,10-dihydroxydecanoic acid"	LMFA01050429	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.7	2.53	M-H	C10H20O4	-4.914292459	2312.997599	2247.337709	2207.338653	1803.351482	1886.413342	5771.278987	2066.524727	2732.638761	2175.527361	4938.307519	2011.639954	1692.995405	2162.957004	1933.686281	1676.656387	1044.066792	1926.335058	1903.678906	1181.053982
4.76_326.2532m/z	326.2532055	4.759316667	pos	"1,2,3-Tris(1-ethoxyethoxy)propane"	92130	Lipids and lipid-like molecules	Glycerolipids	Unclassified	*		38.7	0	M+NH4	C15H32O6	-1.650626876	6682.657412	6055.083835	6143.723037	2666.826302	8921.519945	4394.850267	7908.901147	10337.66324	4948.141382	3167.950224	6280.492145	4297.583866	2718.092182	7208.407835	3041.458587	5393.008115	4884.775234	3529.578215	7556.416569
4.83_253.0714m/z	253.0713799	4.832016667	neg	L-Phosphoarginine	HMDB0029438	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C05945	38.7	0	M-H	C6H15N4O5P	2.558513882	340.5994723	522.6070127	588.2617262	528.9869178	490.4864319	467.6410578	765.787857	448.1684517	573.1507061	439.5457485	747.7005224	439.3967605	519.3542896	498.5815653	527.6601108	777.6064977	589.5434307	573.4775538	426.6235453
4.87_226.9942m/z	226.9941796	4.869566667	neg	"3,5-Dinitrosalicylic acid"	68986	Unclassified	Unclassified	Unclassified			38.7	0	M-H	C7H4N2O7	-1.729786382	56607.91991	58658.77077	58612.7376	59977.60791	60331.59417	58016.63393	62647.91229	57624.61949	57814.26682	61379.62341	66961.35459	55098.54339	57142.20348	57723.80649	57082.05795	61897.64106	57563.47094	60341.8417	55632.45431
4.98_245.0928m/z	245.092844	4.976133333	neg	Harmalol	HMDB0029838	Alkaloids and derivatives	Harmala alkaloids	Unclassified		C06537	38.7	0	M+FA-H	C12H12N2O	-1.608864603	614.4361574	734.5342118	718.507473	807.1262191	708.2294463	746.7143523	702.9238282	294.9045091	245.7989732	594.6355805	522.1315244	477.7944437	820.5892011	767.8661618	700.7291003	648.5164657	713.8613403	854.8463352	1058.799377
5.23_241.0726m/z	241.0726192	5.2307	neg	Furafylline	24065	Unclassified	Unclassified	Unclassified			38.7	0	M-H2O-H	C12H12N4O3	-1.845475351	1482.153159	1824.119192	1594.467991	1949.351691	1810.583452	1470.105347	1513.94505	1330.55629	1392.202063	1922.172233	1767.393523	1499.139174	2019.915503	1544.692618	1673.318851	1932.398425	1520.831415	1860.09601	1458.888414
5.24_190.0333m/z	190.0332734	5.239933333	pos	8-hydroxy Guanine	34520	Unclassified	Unclassified	Unclassified			38.7	0	M+Na	C5H5N5O2	-1.626485441	2613.221926	2632.164159	2529.51211	2908.32306	2328.122911	2459.221753	2287.698925	2396.597955	2016.676434	2438.780627	2061.838605	2415.248871	2434.323459	2070.165675	2840.979932	2779.970877	2596.962126	2632.827054	2600.477889
5.33_253.1443m/z	253.1442557	5.329783333	neg	"(S,E)-Lyratol propanoate"	87987	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acid derivatives			38.7	0	M+FA-H	C13H20O2	-1.331160526	1400.821348	1478.567089	1576.071937	1441.06814	1426.399531	1397.551345	1338.97376	1320.544081	1356.780633	1274.984968	1454.097999	1229.933345	1512.735315	1365.528194	1411.929961	1514.419581	1502.198306	1502.682721	1801.25211
5.37_240.0428m/z	240.0428166	5.369183333	neg	p-Nitrophenyl-O-ethyl ethylphosphonate	69527	Unclassified	Unclassified	Unclassified			38.7	0	M-H2O-H	C10H14NO5P	-1.163660938	3493.250027	4208.529095	3191.913445	3244.746981	3642.3484	3289.432942	3288.29319	3248.557264	2898.71667	3823.692311	4939.948827	3016.524432	3168.486241	3553.134552	3884.360718	4049.933092	3875.585994	3119.0246	4915.088599
5.41_250.9946m/z	250.9945667	5.406583333	neg	"3,5-Dinitro-4-hydroxyphenylpyruvate"	66154	Unclassified	Unclassified	Unclassified			38.7	0	M-H2O-H	C9H6N2O8	-0.027174168	1284.534677	1491.244103	1251.790637	1250.468039	1264.617924	1335.388751	1629.074302	1174.256858	1448.981328	1565.436492	1865.15694	1279.890098	1206.693561	1428.222481	1437.017012	1498.730613	1281.762827	1267.121855	1392.980586
5.58_181.1221m/z	181.1220569	5.578866667	pos	Bovolide	HMDB0039159	Organoheterocyclic compounds	Dihydrofurans	Furanones			38.7	0	M+H	C11H16O2	-1.384164854	3035.965547	3052.401593	2826.612468	3102.763691	2801.64452	2874.826929	3140.010859	2803.414007	2855.762403	2788.766061	3183.637767	3038.472397	2828.883305	2985.284533	3216.716913	3013.912281	3056.728427	2858.93318	2677.382385
5.74_327.1401m/z	327.140114	5.740583333	pos	"2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	70550	Unclassified	Unclassified	Unclassified			38.7	0	M+H	C20H19FO3	3.111988805	466.0561171	602.6008244	637.4099646	228.8285902	422.7957538	560.5666635	140.4102728	102.2393671	634.4280485	559.5502873	134.543587	190.7258294	284.1104804	80.17376043	3100.311682	214.555354	555.102841	1182.347994	153.7589868
6.03_371.2436m/z	371.2436318	6.026116667	neg	"Ethyl (3R,5Z)-3-hydroxy-5-octenoate"	HMDB0030367	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.7	0	2M-H	C10H18O3	-0.753823251	2554.083557	2599.641894	2652.731315	4698.3793	1556.027328	3772.114717	1665.755338	994.7407748	278.0505836	1571.738223	3122.462338	838.5243114	2321.445352	2341.493601	3598.00864	3028.898654	3872.374176	3584.999919	3558.560667
6.40_393.2647m/z	393.2647359	6.404283333	neg	"ent-16b,19-Kauranediol 19-acetate"	HMDB0036801	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		38.7	0.145	M+FA-H	C22H36O3	0.252806832	850.4871671	649.3948786	755.9055045	1137.75883	120.4186351	271.3810213	1004.782914	0.000297236	0.000297236	1049.803837	726.5134155	0.000297236	45.45610882	210.4348654	3411.899247	954.9884661	1757.217098	1943.482131	62.38455063
6.44_186.1486m/z	186.1485833	6.440783333	pos	"6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one"	HMDB0034670	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.7	0	M+NH4	C10H16O2	-1.617835791	1423.127982	1229.762517	1476.113878	1393.295761	1379.820999	1864.929482	1410.419955	2219.019794	1596.388317	1645.9298	1296.685979	1491.548441	1386.904537	1467.413042	1529.231479	1430.123981	1231.195397	1582.824689	1376.039637
6.57_247.0007m/z	247.0006958	6.565933333	neg	Benzoyl phosphate	HMDB0060440	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives		C06206	38.7	2.45	M+FA-H	C7H7O5P	-3.054411048	18443.06576	20383.59536	20192.54455	20216.31118	19560.28033	19565.62137	21885.83207	18849.44192	18885.21679	20426.43435	22532.86069	18580.16545	20139.84771	19484.8779	17201.02108	20159.23349	18141.42562	18924.34543	19378.75272
6.58_359.1864m/z	359.1863862	6.582833333	neg	all-trans-4-oxoretinoic acid	2282	Lipids and lipid-like molecules	Prenol lipids	Retinoids	**	C16678	38.7	0	M+FA-H	C20H26O3	-0.036301479	390.1655687	404.2558733	254.3310127	476.765896	123.9628363	816.0138065	503.6461804	751.603497	158.0783915	271.8164376	719.7089082	533.769645	334.2784921	476.7459345	669.3095392	587.3455142	705.7730874	824.4802851	322.659017
6.93_224.1285m/z	224.1285327	6.9307	neg	"7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one"	HMDB0039683	Organoheterocyclic compounds	Azepines	Unclassified			38.7	0.962	M+FA-H	C11H17NO	-3.820287307	1961.71685	2083.762357	1851.626329	1735.907889	3127.699666	3793.125943	2285.793279	906.5282633	1568.441273	4354.10392	2389.438728	2600.128238	2404.426183	3269.496874	1266.639269	1020.519719	1434.730344	1729.36864	2944.536308
7.09_327.1601m/z	327.1600564	7.093166667	neg	Miltirone	69654	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*	C13715	38.7	0	M+FA-H	C19H22O2	-0.448061533	1721.70841	2147.001324	2062.688603	1126.576013	1897.185191	2667.468113	1294.116449	2038.114997	655.9477455	1771.797292	1406.521949	1427.722089	720.2808127	783.4140427	889.6939781	1290.069854	1839.942342	2154.935779	867.1948405
7.30_397.1630m/z	397.1630196	7.303466667	neg	N-Benzoyl-D-arginine-4-nitroanilide	66158	Unclassified	Unclassified	Unclassified			38.7	0	M-H	C19H22N6O4	0.107480021	2066.013164	1884.980366	1903.001118	1722.458151	1675.030358	3510.294211	2177.865781	2233.879182	1485.924964	2408.162131	2583.073652	1836.061891	1668.055479	2175.782577	2359.179534	2311.609395	2603.750457	3327.074881	1089.540881
7.30_415.0672m/z	415.0672052	7.303466667	neg	Suillusin	92293	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids			38.7	0	M+FA-H	C19H14O8	0.364718772	3168.891733	2974.213997	2675.710588	2904.742136	2629.18883	3020.383984	3389.977826	3030.538385	3938.018534	3001.483331	3031.600581	3075.207358	3216.919253	3325.197277	3310.116933	3530.116092	2876.40914	2825.524709	2910.310088
7.96_353.2333m/z	353.2332941	7.9625	neg	3-Methyl-5-propyl-2-furanundecanoic acid	HMDB0061646	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.7	0	M+FA-H	C19H32O3	-0.174220051	2083.855928	2506.732281	1954.859525	1449.43503	2341.371191	1568.879047	1320.727338	571.4510274	408.0979485	928.0251058	1032.167541	1739.137957	1411.08496	1520.694475	1438.698645	1337.408288	1507.436786	1706.2174	1677.844813
8.07_105.0337m/z	105.0337377	8.069616667	pos	Salicylaldehyde	66352	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C06202	38.7	0	M+H-H2O	C7H6O2	2.020424968	678.8369336	648.6607648	787.9914307	655.6108917	670.1204919	740.0605658	692.6941601	713.4793179	632.2744315	732.4841682	806.6677034	697.4326382	641.3464938	771.0117177	769.0742399	734.038546	703.8736391	756.6667751	648.9367672
8.07_183.1378m/z	183.1377568	8.069616667	pos	"Methyl (2E,4Z)-decadienoate"	90166	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.7	0	M+H	C11H18O2	-1.094850317	3370.041004	3090.945362	2971.269787	2827.072137	2673.424267	3013.630531	2873.077403	2871.975242	2983.844823	3031.962506	3128.717266	3033.432983	2998.142905	3366.175654	3136.508743	3261.480208	3053.239752	3109.334282	2918.69053
8.08_267.1138m/z	267.1137627	8.077566667	neg	"N,N'-Diacetylbenzidine"	72940	Unclassified	Unclassified	Unclassified			38.7	0	M-H	C16H16N2O2	-0.517128087	1052.220234	807.6882118	808.6498292	626.2967929	2038.294985	1282.694893	683.6921739	535.5424229	862.313766	1891.506545	970.6130167	1333.812726	496.3257239	451.657981	868.5927146	995.8124688	742.5570414	1012.578884	914.149506
8.41_377.2696m/z	377.2696418	8.4113	neg	1-Hydroxy-1-phenyl-3-hexadecanone	90939	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.7	0	M+FA-H	C22H36O2	-0.275392668	1171.542892	973.969609	1252.1159	2456.374802	132.1727879	808.1354782	1958.155533	0.000297236	0.000297236	2136.271389	2067.636835	0.000297236	159.9043736	29.99649562	2846.043187	1471.190595	2638.040533	2058.495588	103.4736366
8.48_253.1442m/z	253.1441861	8.478116667	neg	Eremopetasinorol	HMDB0029668	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			38.7	0	M+FA-H	C13H20O2	-1.665216258	2387.975414	2304.146228	2222.430666	2380.857527	2169.251614	2007.063858	2087.544517	2127.823434	1707.807103	2415.685528	2083.054141	1942.005638	2224.612059	2578.580993	2471.815979	2461.056579	1883.196796	2267.452641	2193.40119
8.75_272.1867m/z	272.186697	8.752933333	neg	Heptanoylcarnitine	LMFA07070068	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.7	0	M-H	C14H27NO4	-0.127874596	1924.145248	1761.179682	1813.91309	1119.858654	1532.199787	2675.459272	914.7779289	1144.491611	1349.639995	1651.105703	1979.481268	840.9236981	2491.242181	2222.665817	1413.047149	1451.874136	1082.76985	1452.82041	1939.27798
9.29_403.2926m/z	403.2925685	9.29125	pos	Actinonin	43966	Unclassified	Unclassified	Unclassified			38.7	0	M+NH4	C19H35N3O5	2.78192893	4456.296526	5716.177075	5257.20533	7867.685615	9446.169416	1425.294329	7528.491924	13992.97347	4522.22516	12761.82677	4889.601265	4695.469497	4905.272335	2934.043589	6600.512169	5620.716709	6811.973437	4699.590524	6503.710789
9.43_373.2384m/z	373.238403	9.428766667	neg	Grifolin	86985	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		38.7	0	M+FA-H	C22H32O2	-0.091912605	302.1219608	266.577639	456.062662	486.1531675	0.000297236	54.79910103	206.5160785	0.000297236	0.000297236	392.3835709	306.1063585	0.000297236	0.000297236	0.000297236	2546.756116	650.5990373	616.9744471	1406.431953	0.000297236
9.77_271.1915m/z	271.1915266	9.769433333	neg	Tetramethylpyrazine	91653	Organoheterocyclic compounds	Diazines	Pyrazines	*		38.7	0	2M-H	C8H12N2	-4.75282465	643.6964701	658.329884	615.8532734	503.5665616	856.8483278	799.5637395	493.3843443	922.2656749	864.296128	851.6803735	689.0707034	606.3281659	648.053708	619.3893479	685.9571955	654.2845661	517.7146191	603.4028835	845.6589736
9.79_508.3280m/z	508.3280414	9.79065	neg	3-hydroxyarachidonoylcarnitine	LMFA07070036	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.7	0	M+FA-H	C27H45NO5	0.140266892	824.1018926	829.2446782	815.7629089	591.692099	855.7930393	1729.644301	692.0268094	1421.34483	1495.415851	1173.739622	920.1387693	1363.895828	1548.403881	1362.585412	468.9484696	519.6959743	999.216924	794.2156011	1068.528021
9.81_197.1534m/z	197.1533804	9.81395	pos	Dihydro-5-(2-octenyl)-2(3H)-furanone	87239	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	*		38.7	0	M+H	C12H20O2	-1.151585678	15150.13565	14947.30935	14650.10394	15213.14958	14851.09295	14746.29071	15114.43245	15594.32706	14285.34985	15187.97714	15738.54782	15593.42864	14769.97513	15120.70804	16088.32588	15777.10568	15763.90503	15273.88443	14461.08193
9.83_271.2278m/z	271.2278136	9.832916667	neg	2-Pentadecanone	87393	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		38.7	0	M+FA-H	C15H30O	-0.242621299	1102.921651	1238.24266	980.4708519	992.4815168	1431.022557	1510.087501	773.111244	1724.798283	1654.170588	1018.428835	955.1442766	1313.626791	1453.011147	1264.703471	916.369718	873.561274	1119.140669	946.8449852	1021.950165
9.85_393.2496m/z	393.2496448	9.854016667	neg	Hydroxyatrazine	66427	Organoheterocyclic compounds	Triazines	"1,3,5-triazines"	**	C06552	38.7	0	2M-H	C8H15N5O	4.060715041	891.3845674	852.3465879	860.447547	190.6968837	248.3258172	196.2511879	385.3014695	345.4987347	308.1036103	293.0269804	311.0217993	439.7709004	306.2005079	15533.15774	332.6480015	204.7390518	554.4273523	500.1475814	309.4254839
0.12_134.0359m/z	134.0359103	0.116133333	neg	"1,4-Diamino-2-nitrobenzene"	73088	Unclassified	Unclassified	Unclassified			38.6	0	M-H2O-H	C6H7N3O2	-0.490502701	1024.292472	771.1140561	939.2140083	872.5506932	815.5695016	767.4078219	745.6858072	919.3489106	965.5738174	903.2388723	966.6647688	896.3664826	970.6387657	900.5258921	878.7867816	987.8934604	791.5155228	746.1468949	1001.86749
0.14_182.1299n	183.1377962	0.140683333	pos	"(E)-3,7-Dimethyl-2,6-octadienyl formate"	LMFA07010611	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*	C12294	38.6	0	"M+H-H2O, M+H"	C11H18O2	-4.009612983	71400.58728	54922.41965	57328.46993	57425.95706	54034.21806	59761.85818	56906.35642	59519.96943	56347.16481	59944.87092	70164.34722	53471.46011	54214.93499	53772.42107	54433.65403	55002.15276	53991.69893	57008.29093	51479.69512
0.18_210.0678m/z	210.0677915	0.1817	neg	endalin	96164	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	"Pyrimidine 2',3'-dideoxyribonucleosides"			38.6	0	M-H2O-H	C9H12FN3O3	-2.780190976	5087.524853	4493.174749	4250.32411	4550.442887	4259.385116	4085.339762	4477.642568	4581.09893	4290.673055	4660.810282	4453.829257	4178.837075	4571.216365	4301.850107	4403.370894	4549.856958	4249.248517	4646.87904	4136.795049
0.25_172.1461n	173.153386	0.252583333	pos	Capric acid	HMDB0000511	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C01571	38.6	0	"M+Na, M+H"	C10H20O2	-1.280810453	54155.86554	52626.22997	52235.98052	52220.41768	50836.02312	53844.31318	54602.91706	54648.60844	51729.87017	53706.71542	53347.39239	52583.04197	53042.89566	51188.38287	54509.65557	54302.66265	50648.71025	55691.31723	50364.52209
0.27_236.1412m/z	236.1411865	0.266316667	neg	L-Pyrrolysine	71131	Unclassified	Unclassified	Unclassified			38.6	0	M-H2O-H	C12H21N3O3	2.884747068	38837.16484	37349.35891	36795.00105	31342.15623	34219.6951	32278.30618	35683.0249	34059.35293	33682.40513	35298.32672	34551.2846	34211.21549	32139.12283	32504.92266	32153.9145	33694.67197	31850.21437	32178.25306	30833.86555
0.31_112.0394m/z	112.0394049	0.30925	pos	Pyrroline hydroxycarboxylic acid	284	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C04281	38.6	0	M+H-H2O	C5H7NO3	0.775290024	3318.228053	2892.577037	3279.70047	3112.965821	2956.928404	3435.334837	3174.449992	3633.034028	3555.522351	3388.953009	2854.885632	2898.390369	2987.144003	2750.765502	3267.417781	3347.278012	3150.475932	3614.816921	2998.093116
0.31_243.2315m/z	243.2315232	0.30925	pos	Pentadecylic acid	LMFA01010015	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C16537	38.6	0	M+H	C15H30O2	-1.376693949	57132.52489	48741.29095	54639.6309	57443.29413	53116.61041	57784.65885	58857.96473	56584.67308	58323.26181	57545.95242	58159.43255	48115.09605	49541.60285	49707.26708	52547.53611	55715.96776	53523.71067	56715.96226	53084.65292
0.33_193.1221m/z	193.1221443	0.32715	pos	Jasmonic acid	HMDB0032797	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	***	C08491	38.6	0	M+H-H2O	C12H18O3	-0.770343437	5427.582775	4705.040458	4547.663452	4575.887649	4328.142352	4479.25766	4780.664696	4470.983603	4915.631251	4932.016376	4715.284889	5260.376801	4700.052095	4118.128188	4457.529988	4852.424875	4141.249353	4075.726387	4233.851069
0.48_165.1637m/z	165.1636745	0.478916667	pos	2-dodecenal	36592	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		38.6	0	M+H-H2O	C12H22O	-0.563166408	3815.348763	3561.738619	3993.025786	3848.19543	3654.528707	4480.81187	4510.184516	3928.145465	4397.71284	4264.726277	4213.807462	3683.229573	3932.431534	3487.747947	3854.995732	4103.499177	5021.486338	4147.583797	3805.618647
0.50_223.1478m/z	223.1478021	0.49665	pos	"(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne"	HMDB0031260	Hydrocarbons	Unsaturated hydrocarbons	Enynes			38.6	0	M+H	C17H18	-1.462595115	2163.065471	2190.846868	2272.119492	2327.270993	2822.49233	3527.437104	2584.53046	2004.431563	3227.405091	2580.738252	2611.965828	1842.025857	2325.504871	1687.539522	2181.301269	2973.350943	2635.319983	2078.46432	2208.759186
0.50_313.0783m/z	313.0783471	0.499683333	neg	O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate	68780	Unclassified	Unclassified	Unclassified			38.6	0	M-H2O-H	C13H21N2O4PS	0.67287565	20687.70052	18626.90393	18871.34727	17908.49882	19565.08526	16548.68045	17881.75982	19424.01603	18101.77307	19885.30616	18763.08167	17466.06128	19242.15528	21544.96156	21145.65286	20040.80178	18364.86451	19445.15139	18170.4115
0.51_187.1479m/z	187.1478599	0.5146	pos	"7-Ethyl-5,6-dihydro-1,4-dimethylazulene"	HMDB0035759	Hydrocarbons	Unsaturated hydrocarbons	Branched unsaturated hydrocarbons			38.6	0	M+H	C14H18	-1.434861321	1900.846228	1648.053087	2168.626756	1933.965958	1890.548243	1905.404845	1904.034639	1715.439806	2065.393297	1787.10982	1688.674317	1453.807797	1921.092527	1226.330291	1475.094129	2039.081971	1576.582988	1458.560894	1602.291566
0.52_366.0689m/z	366.0688582	0.52135	neg	Isosorbide 5-mononitrate glucuronide	861	Unclassified	Unclassified	Unclassified			38.6	0	M-H	C12H17NO12	2.88668903	37981.29292	36308.36988	36387.76743	36094.7542	38123.51009	33828.28864	36745.09086	36290.39083	36230.89412	38107.90878	35800.45806	37314.28409	38064.78034	38069.89278	37823.50687	37987.62816	34887.35426	37069.03196	35458.44531
0.61_298.1872m/z	298.187226	0.60835	pos	Pentoxifylline alcohol	1768	Unclassified	Unclassified	Unclassified			38.6	0	M+NH4	C13H20N4O3	-0.499905994	29047.43417	30736.6977	31914.22319	25103.99093	36616.22836	31700.24328	25557.40801	57424.96595	38961.14015	27977.5245	24496.1878	46113.76152	25760.97981	25267.34049	24351.84071	23289.4161	27023.15822	25709.44566	25406.95421
0.62_259.1410m/z	259.1410193	0.623133333	neg	Asparaginyl-Lysine	85651	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	M-H	C10H20N4O4	-0.612699319	609.5489535	801.1304938	590.5105422	575.2571336	1686.137744	946.975473	1074.736093	449.7635658	260.557439	1177.204426	733.0143015	550.372705	637.0119712	779.2926119	836.8714837	661.2681528	874.6174893	369.4995363	653.4897913
0.62_263.1247m/z	263.1247293	0.623133333	neg	N2-(D-1-Carboxyethyl)-L-lysine	63467	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C9H18N2O4	-0.59880163	1133.498382	1434.357528	1545.905436	2257.179014	1129.492092	1233.585611	466.1507011	807.9657319	957.6479381	971.3456768	1079.103657	2213.465249	1253.729903	1307.145694	1527.167028	1454.14533	1443.567925	1455.51597	2168.561528
0.62_274.1409m/z	274.1409389	0.623133333	neg	Ε-(gamma-Glutamyl)-lysine	58180	Unclassified	Unclassified	Unclassified			38.6	0	M-H	C11H21N3O5	0.343491162	2758.772221	2525.585198	1915.617556	3187.896211	4962.914913	2883.835268	2581.160676	2487.94829	2390.826798	3580.770614	3040.745117	1558.442816	2857.168677	3184.936941	2380.41762	4086.078276	2821.03634	2770.54742	3602.779781
0.62_381.1731m/z	381.1731489	0.623133333	neg	4-Hydroxycitrulline	HMDB0029384	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	2M-H	C6H13N3O4	-2.057900314	9606.60721	8154.129253	9292.59436	10898.68652	9902.369159	7560.654957	8676.942336	10271.86912	4344.893117	9281.479588	12510.52921	10340.92836	12550.48574	11119.31207	10228.35639	8880.958423	11699.18422	14290.39116	15502.54563
0.63_262.1396m/z	262.1395547	0.62635	pos	γ glutamyl ornithine	6571	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	M+H	C10H19N3O5	-0.737073158	5374.503695	6767.123022	6258.52931	3787.753754	11306.16275	6011.69154	6345.588927	4362.278639	5573.425202	9457.860413	5754.815452	4270.826543	7243.030723	8308.273899	6059.357512	4792.708713	7000.342425	3526.928222	7582.997697
0.64_297.0469m/z	297.0469293	0.641183333	neg	Phoxim	72530	Unclassified	Unclassified	Unclassified			38.6	0	M-H	C12H15N2O3PS	0.354839958	22705.92368	22407.70465	21024.90778	24825.16167	21845.83906	22360.01849	21210.75994	23775.79704	22959.08793	21516.96883	19296.25897	24782.544	22943.28173	22546.31881	20392.88291	23197.22653	23792.80758	24513.0697	28186.74754
0.64_365.0343m/z	365.0342969	0.641183333	neg	8-Hydroxythioguanine	HMDB0060804	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.6	0.213	2M-H	C5H5N5OS	-3.792582612	48197.86404	47804.69287	48643.40859	52317.54176	45060.78391	48469.17948	49205.01909	41551.49105	40381.0228	49368.72357	41859.2874	44142.43861	53267.57905	52042.32282	47668.56429	52757.28112	48910.8526	52073.51367	58219.21066
0.66_265.0558m/z	265.0558248	0.660716667	pos	2-Deoxystreptamine 4-phosphate	66090	Unclassified	Unclassified	Unclassified			38.6	0	M+Na	C6H15N2O6P	-0.696984833	8012.356319	9560.41452	10147.20845	13778.01031	5874.162943	5829.581836	13978.24527	3791.009101	3739.986918	6511.269724	13555.57205	9500.800297	10916.59936	13208.42831	15562.39512	10430.24027	12836.33506	12481.99769	12454.47091
0.68_119.0951n	120.1019233	0.677733333	pos	Ammonium isovalerate	92812	Unclassified	Unclassified	Unclassified			38.6	0	"M+H-H2O, M+H"	C5H13NO2	3.725887365	215007.9972	226895.8044	249478.0272	335194.8601	121045.7489	204726.5816	110503.5823	175044.5554	147432.729	108970.1524	244967.0032	402116.6695	181287.6548	179685.1546	308964.3966	299421.7496	193836.8938	417751.9275	385300.7335
0.68_130.0974m/z	130.0974317	0.677733333	pos	4-Guanidinobutanal	63476	Unclassified	Unclassified	Unclassified			38.6	0	M+H	C5H11N3O	-0.43941526	2284.084058	2832.892703	2205.960571	2026.224965	2909.626983	2107.278645	3025.513609	2114.803095	863.4396277	1916.943962	2981.429096	2200.219166	1343.823393	3075.09415	1648.578573	4503.944964	3255.428575	2795.578804	3808.093994
0.68_155.0425m/z	155.0425124	0.677733333	pos	Methylazoxymethanol acetate	72978	Unclassified	Unclassified	Unclassified			38.6	0	M+Na	C4H8N2O3	-1.517789808	23854.87595	28438.83787	33029.43339	40265.28109	22066.94873	25284.00316	25989.0848	16908.45026	10644.7936	21013.04749	33400.44258	26298.53151	55971.10849	29318.03421	65896.06783	53559.2687	31841.42429	41933.39485	41528.05134
0.71_217.0473m/z	217.0473444	0.712816667	neg	(R)-AMAA	69672	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C6H8N2O4	4.270796305	480419.9403	501627.1379	527489.5731	54329.69335	985484.6748	459954.9638	271685.185	175234.9843	437461.2625	954193.324	96509.60336	66783.12758	1062852.771	941227.9274	816761.9118	124552.079	634513.1935	260787.9633	879062.4185
0.73_248.0772m/z	248.077163	0.7299	neg	Miserotoxin	67029	Unclassified	Unclassified	Unclassified			38.6	0	M-H2O-H	C9H17NO8	-1.544014255	4337.729459	4677.940717	3220.817719	7168.142247	1735.777997	3579.19711	1674.113082	3781.626182	4263.885629	1650.722286	3310.667783	9371.533342	3123.275198	2877.694866	3059.682058	2664.133707	5163.998984	4888.2884	6580.441934
0.75_187.0183m/z	187.0182585	0.746966667	neg	METHYLTHIOURACIL	44256	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C5H6N2OS	-0.198186938	36819.17413	35754.02636	39519.59754	44349.09309	27805.97672	42812.63576	35057.06445	33493.30417	37142.88952	36145.71176	38205.2586	27915.08536	39373.24438	35693.33845	38783.92834	43209.04693	40344.89991	52444.68354	37130.50485
0.75_337.0945m/z	337.0944902	0.746966667	neg	Phosphodimethylethanolamine	63348	Organic acids and derivatives	Organic phosphoric acids and derivatives	Phosphate esters	**	C13482	38.6	0	2M-H	C4H12NO4P	2.891655223	5779.615876	6118.53401	4754.759673	7857.419162	4029.451847	3831.023984	4660.205285	11573.52803	8625.285479	3801.3148	6611.053015	11056.07369	3038.521518	3959.492943	3864.452501	5644.508056	5643.373105	7991.638582	3562.891191
0.76_243.0983m/z	243.0982896	0.764266667	neg	Metharbital	HMDB0014606	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives			38.6	0	M+FA-H	C9H14N2O3	-1.795047148	5384.560969	4764.777395	4650.957564	4792.7922	7407.234091	6477.176825	6273.932118	2979.060336	3373.238256	7684.108612	7071.340299	4536.862608	7067.779438	7398.445334	5888.166008	5784.817432	5916.096992	5516.155478	6060.419456
0.80_128.0111n	146.0447013	0.798133333	pos	5-Hydroxy-2-furoic acid	HMDB0059784	Organoheterocyclic compounds	Furans	Furoic acid and derivatives			38.6	0	"M+H, M+NH4"	C5H4O4	0.740545057	4933.051432	5183.662275	4084.607114	2464.961368	6072.145539	3790.964326	3335.596944	11743.03936	5989.46266	4968.295782	3723.475042	5707.47436	3392.219604	4873.77358	4861.809762	4354.77514	2654.860456	1828.080132	2757.429553
0.80_202.0951n	203.1026872	0.798133333	pos	Proclavaminic acid	64565	Unclassified	Unclassified	Unclassified			38.6	0	"M+H-H2O, M+H"	C8H14N2O4	-1.07178487	6154.158064	5984.941625	6824.303662	5105.15221	10346.88544	8258.976447	5342.176626	5913.746253	4369.178576	8679.984484	6172.443092	3697.702996	4748.969156	5685.208876	6537.814385	4724.232504	6078.883663	5610.542927	6623.066554
0.82_248.1137m/z	248.1136755	0.819	neg	Voglibose	HMDB0015598	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			38.6	1.74	M-H2O-H	C10H21NO7	-1.068423593	6210.733229	6666.403501	6037.889882	8116.79744	5476.727909	6878.368935	4251.933786	6617.858255	5117.466964	5657.221154	5806.065988	5973.374565	5849.771087	5801.189784	7108.671965	6374.994482	6169.68734	7860.162171	6443.546643
0.82_273.0839m/z	273.0838722	0.816033333	pos	"2,6-Diamino-7-hydroxy-azelaic acid"	69262	Unclassified	Unclassified	Unclassified			38.6	0	M+K	C9H18N2O5	-3.663091635	160868.0694	165722.4238	161638.2934	158382.7661	120400.1708	132413.3876	136466.1452	193279.8899	179545.0109	140310.8799	145591.2322	192784.0705	155724.0549	151328.4738	154529.1536	161945.4223	154976.7228	149950.3378	164118.2098
0.82_287.0883m/z	287.0883161	0.819	neg	HC Yellow No. 4	73131	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C10H14N2O5	-0.654096429	7353.280654	8841.764546	8713.043378	10682.52352	8878.730457	11266.28229	8241.430403	5463.871264	9284.45765	12674.46072	9275.982706	12171.34525	7374.598946	6270.40832	5662.108737	6396.36397	7587.895863	7073.790334	7274.49853
0.82_298.1142m/z	298.1141946	0.816033333	pos	Psicofuranine	66308	Unclassified	Unclassified	Unclassified			38.6	0	M+H	C11H15N5O5	-1.347917534	15290.9508	17375.38388	17787.5005	13340.76303	15445.18716	17285.39837	17592.84305	22147.22552	14850.90196	19214.00481	9980.263181	14030.16587	13576.14986	12548.57885	14167.2267	13066.58284	17998.31243	13520.52355	14673.6003
0.82_306.1543m/z	306.1542984	0.816033333	pos	Histidinyl-Lysine	HMDB0028890	Benzenoids	Phenol ethers	Anisoles			38.6	3.25	M+Na	C12H21N5O3	2.253562856	13529.7784	10693.68159	12973.64911	6763.219422	21329.82931	16306.62266	8472.952205	55868.68377	31993.40569	16401.31893	5818.954641	8069.674703	7569.629528	8975.236908	6058.002067	5128.507137	9373.388665	6073.415957	12847.53555
0.82_339.1242m/z	339.1241858	0.819	neg	"(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene"	89180	Phenylpropanoids and polyketides	Stilbenes	Unclassified			38.6	0	M+FA-H	C19H18O3	1.320679343	2987.39729	3506.180627	3121.641113	2655.985155	2453.250738	3498.586534	1988.586624	2156.532577	1734.814397	3174.642993	4262.388805	2960.250793	4437.419947	3578.626716	4156.056787	4375.513082	3224.63353	3805.994196	4435.793926
0.82_407.1118m/z	407.1118432	0.819	neg	Nicarbazin	72198	Unclassified	Unclassified	Unclassified			38.6	0	M-H2O-H	C19H18N6O6	2.116679621	2818.016595	3103.592817	3247.279737	3317.028869	2151.196135	2394.060445	2870.364302	725.5288693	434.0241041	1361.180976	2825.419996	2814.8849	3815.71399	2676.072846	4414.303047	5134.297852	1477.311055	1139.594909	4089.818956
0.84_181.0356m/z	181.0356007	0.837816667	neg	D-threonic acid	35473	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C4H8O5	1.65024723	3754.615705	3438.083337	3832.775656	3710.007106	3124.216374	3264.525307	3406.338233	3117.884878	2345.945914	3739.023742	3766.375886	3913.713175	3500.485463	3347.900951	3262.65068	3483.492232	3901.619969	2606.973536	3644.796861
0.88_316.1051m/z	316.1050663	0.877566667	neg	ZAPRINAST	44292	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C13H13N5O2	-0.225901204	2244.781497	1567.324993	2275.721862	2257.991399	2243.072248	1823.866992	1536.726025	1756.344158	1098.748395	1845.311015	2038.691955	1934.006863	1848.413585	1437.76324	1539.084208	1484.841767	1718.101007	1789.035644	3405.808104
0.89_140.0681m/z	140.0681041	0.89155	pos	5-Aminopentanoic acid	HMDB0003355	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00431	38.6	0	M+Na	C5H11NO2	-0.812561094	22200.83017	21776.99398	21715.40514	16087.49983	34396.93643	32949.88106	20586.58746	30103.95889	25086.28125	30118.7772	13647.47205	17518.22855	23149.16752	18358.03852	21510.28853	18875.01678	23008.42577	16996.96722	15933.32715
0.92_280.0688m/z	280.0688033	0.919466667	neg	6-Succinoaminopurine	HMDB0013204	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.6	0	M+FA-H	C9H9N5O3	0.260665931	4947.3959	4709.070369	4615.085783	3858.732064	5077.925604	6687.100892	2135.936778	4153.088928	3748.707697	6093.699395	1968.405469	8619.657869	4180.107682	3287.344459	4288.45667	3850.176269	4481.675063	4383.282774	6383.308926
1.06_292.1034m/z	292.1033946	1.063433333	neg	Malonylcarnitine	HMDB0002095	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.6	0	M+FA-H	C10H17NO6	-1.600499326	18143.21022	19178.90303	17643.13352	25630.00936	19389.11714	54472.03937	10158.37868	32424.89794	33954.14169	21750.22425	18768.41908	26281.61275	16443.20908	11834.51666	9773.24988	15538.77206	10536.06939	12837.15093	13202.89723
1.10_282.0056m/z	282.0055985	1.0977	pos	Thioxanthine monophosphate	HMDB0060876	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.6	0	M+NH4	C5H5N4O5PS	-0.204152339	17850.11779	19854.91327	17578.95399	20273.92601	21574.31063	19040.11325	15250.86536	12904.70891	14634.37137	15162.37092	20754.98514	16186.42161	23372.92453	23379.60016	19946.1912	24005.73737	18866.63445	19716.35857	17367.99797
1.10_451.1095m/z	451.1094651	1.098716667	neg	3-Nitrotyrosine	HMDB0001904	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	2M-H	C9H10N2O5	-2.657153246	12254.32198	20365.14011	16167.46603	13584.30827	17843.49972	14777.44499	19698.4112	13788.32885	14767.78182	19223.91583	14771.63892	14191.03376	17842.58413	20789.10769	24002.78486	19845.79037	23238.4167	18607.56316	16987.77992
1.12_233.1493m/z	233.1492733	1.118383333	pos	1-hydroxyoct-2-enoylglycine	HMDB0094732	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	M+NH4	C10H17NO4	-1.442429849	4726.230773	6045.926926	5013.224091	1882.43478	6591.558179	2847.11293	8708.946077	556.7744936	713.0424003	7812.128697	3414.763919	969.7129608	10198.36174	11085.21141	9763.026145	9086.279197	8796.170913	2723.143476	7716.913136
1.14_127.0390m/z	127.038962	1.13905	pos	4-HYDROXY-6-METHYLPYRAN-2-ONE	44653	Unclassified	Unclassified	Unclassified			38.6	0	M+H	C6H6O3	-0.067476479	1089.130538	1242.171291	1330.092125	1090.487017	1005.04837	1520.710859	1156.968576	1139.230118	1535.417403	1611.849322	1605.887274	869.918875	1126.657239	1092.505952	1340.97241	1171.462386	1345.226008	1150.126534	1274.741238
1.14_232.1289m/z	232.1289152	1.13905	pos	Valyl-Asparagine	HMDB0029122	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	M+H	C9H17N3O4	-1.156490542	1231.589953	1118.438682	1177.404944	948.1039782	1843.488969	1166.407966	2121.363196	396.5786565	419.1709669	1629.901749	1177.00705	441.3331298	2241.18286	1672.262233	1850.126129	1094.549894	1621.029379	695.5629744	1788.684551
1.14_390.9898m/z	390.9897924	1.13945	neg	5-Iodotubercidin	45255	Unclassified	Unclassified	Unclassified			38.6	0	M-H	C11H13IN4O4	-2.765608541	4403.922308	3667.250654	3001.314436	5064.382948	1866.909074	7234.225755	2248.089164	5316.77021	4991.882434	3407.099026	2534.006604	4114.118555	1555.175102	2567.382889	2782.239297	2306.800021	3426.766526	4004.285227	3995.795916
1.18_576.2827m/z	576.2827161	1.1797	neg	Kni 102	70999	Unclassified	Unclassified	Unclassified			38.6	0	M-H2O-H	C31H41N5O7	-0.069651337	249874.879	265009.4822	254495.0728	234669.3385	266397.4014	274842.4756	291629.9099	187611.2423	157291.9684	248758.9048	250691.0988	236380.7	297437.4395	268375.794	276611.2807	294479.7339	296248.2873	346916.4364	377637.7993
1.20_215.0166m/z	215.0165825	1.199216667	neg	Sodium glucuronate	69532	Unclassified	Unclassified	Unclassified			38.6	0	M-H	C6H9NaO7	-3.416116574	6353.173291	7079.409439	7594.452446	7849.477448	9208.93072	5507.899978	6481.681271	10907.49011	5976.450042	4721.876852	7092.609123	9020.387865	7235.701711	6418.145581	5989.034159	6027.129607	7485.896314	8375.671934	5879.981758
1.24_127.0390m/z	127.0389923	1.239083333	pos	LARIXINIC ACID	44509	Organoheterocyclic compounds	Pyrans	Pyranones and derivatives	*	C11918	38.6	0	M+H	C6H6O3	0.172773049	1474.369149	1481.130608	1407.35086	1375.780365	1280.69377	1614.833071	1360.261534	1928.382353	1257.057454	1515.748587	1520.652647	1668.240663	1358.281173	1376.907402	1032.385326	1322.364238	1491.972719	997.3700344	1342.653671
1.30_547.3291m/z	547.3291077	1.297066667	neg	Allyxycarb	72707	Unclassified	Unclassified	Unclassified			38.6	0	2M-H	C16H22N2O2	0.233911299	39713.23821	27959.90634	22456.98524	33178.10448	27794.87716	21550.52155	27274.70513	29459.45259	23486.54158	22760.22427	31960.14104	36125.09421	39261.77264	31533.83457	37395.10746	37404.55978	27781.18248	46601.11358	32498.69002
1.34_287.0279m/z	287.0278757	1.336933333	neg	3-(Phosphoacetylamido)-L-alanine	66116	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C5H11N2O7P	-2.9522536	1052.114188	1067.791525	835.4900063	124.7646463	1193.87531	0.000297236	263.5602531	3092.671244	3255.720836	210.9417611	471.8084339	1124.147011	664.0483617	1435.847913	1135.017011	609.9789505	576.4812502	341.5742373	833.4506916
1.34_341.1021m/z	341.1021415	1.336933333	neg	DHAP(8:0)	HMDB0011685	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.6	3.06	M+FA-H	C11H21O7P	4.893421949	1442.411954	1606.219927	1259.50245	510.7156204	1892.409981	62.26188795	65.26649667	11509.4596	7908.345107	134.9835176	725.0515043	1935.689297	906.3217515	2063.862908	1304.306155	976.5316845	1155.767549	310.0103631	1446.434413
1.34_373.1000m/z	373.1000413	1.336933333	neg	7-Hydroxy-6-methyl-8-ribityl lumazine	58232	Organoheterocyclic compounds	Pteridines and derivatives	Unclassified	**	C05995	38.6	0	M+FA-H	C12H16N4O7	-0.184150968	2784.778996	2519.796905	2584.610747	1528.050509	4620.634363	3967.361188	1222.135987	3926.749567	6321.244816	4649.947786	1844.989273	3406.395167	1416.570208	1755.280007	2128.091472	2166.234714	2653.458097	2044.555753	3450.462007
1.38_134.0446m/z	134.0446115	1.375966667	pos	L-Aspartic acid	HMDB0000191	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00049	38.6	0	M+H	C4H7NO4	-1.297624176	1095.419522	1229.858267	1096.808636	1403.683973	1031.172322	1445.367868	1262.130965	894.5278539	825.3129573	1124.773351	1113.446083	1297.910912	1335.946013	1329.893918	1455.945149	1276.982677	1228.41068	1678.657348	1348.248005
1.40_261.0878m/z	261.0878373	1.396783333	pos	15(R)-hydroperoxy-EPE	HMDB0062295	Organoheterocyclic compounds	Diazinanes	Piperazines			38.6	0	M+Na	C8H18N2O4S	-0.467881281	3047.801668	3229.636133	3096.962432	4117.572817	3857.506223	3574.647776	2993.56289	3309.604745	2213.077416	3867.610181	2442.986514	3848.774168	3811.130288	3747.215675	3512.004539	3094.634387	4099.74345	3283.629283	4279.317106
1.49_269.1130m/z	269.1129516	1.494983333	pos	N-Phenylacetylaspartic acid	86216	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	M+NH4	C12H13NO5	-0.981636792	3088.928176	3568.18601	3367.17828	2303.437961	5309.522312	3891.791701	5234.045717	1530.553544	950.6655563	5771.413745	3032.39055	919.0990892	4568.100897	4811.949147	4262.213804	3316.6813	3377.783263	2055.380458	3213.529875
1.53_280.1290m/z	280.1289791	1.533166667	pos	p-Nitroglutethimide	948	Unclassified	Unclassified	Unclassified			38.6	0	M+NH4	C13H14N2O4	-0.775962335	3748.2832	3353.357674	3770.630609	1945.417441	5764.95557	3512.309323	7872.737227	1310.475784	1077.703124	5376.190854	3356.205427	737.6502868	5226.293556	4867.594199	5024.13632	3603.592714	4566.603521	2045.569785	4544.077119
1.57_163.0753m/z	163.0752592	1.572783333	pos	Benzaldehyde glyceryl acetal	HMDB0032174	Organoheterocyclic compounds	Dioxanes	"1,3-dioxanes"	*		38.6	0	M+H-H2O	C10H12O3	-0.537459568	7089.829137	6267.647913	6357.65141	7047.037424	6233.335605	6843.10748	6769.09707	7003.881061	7648.38691	6543.495402	7334.002394	6719.682887	6698.239206	6325.841703	6989.434678	6950.392666	7027.657559	6733.803158	6169.203826
1.59_153.0407m/z	153.0406742	1.592583333	pos	5-Ureido-4-imidazole carboxylate	63403	Unclassified	Unclassified	Unclassified			38.6	0	M+H-H2O	C5H6N4O3	-0.162472212	10679.24947	10352.11341	10004.91339	9250.069045	10876.26145	12259.06926	8911.943547	6483.376615	7021.982041	12583.1718	7373.283462	10704.84024	11491.36908	10232.68783	12839.75638	9080.085348	11442.69142	10993.35286	14800.78241
1.68_251.1035m/z	251.1035212	1.67535	neg	Pheneturide	69458	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C11H14N2O2	-1.015762195	724.7098565	559.4956476	688.9060583	466.3043655	1030.826226	771.5558869	958.4226604	387.7907393	297.2922903	772.2742991	563.4876329	148.737224	822.488446	725.4569258	671.1859703	521.6848747	784.8714229	431.4777861	729.8408641
1.81_129.0660m/z	129.0659535	1.807683333	pos	"2,3-Dihydroxy-pyridine"	44697	Unclassified	Unclassified	Unclassified			38.6	0	M+NH4	C5H5NO2	0.896890002	998.9603851	765.0502066	804.1747039	917.2030033	833.2668601	1006.01737	1009.597339	796.9122053	964.4049872	1120.470889	491.4220583	740.6660802	796.3303528	843.255006	972.0771005	950.6701005	1006.934411	905.3930751	910.8622843
1.86_177.1273m/z	177.1272599	1.8645	pos	"Ethyl (2E,4E,7Z)-Decatrienoate"	HMDB0035375	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.6	0	M+H-H2O	C12H18O2	-0.678289774	3660.104686	4326.970578	3693.573398	3816.922134	3682.699374	3949.935987	4188.238294	4121.89945	3740.717588	3986.25567	4112.357996	3815.225581	4012.035953	3871.677244	3672.468316	4543.587757	3931.32526	3708.768655	3519.168474
1.93_435.0429m/z	435.0428704	1.929083333	neg	(5-ethyl-2-hydroxyphenyl)oxidanesulfonic acid	HMDB0124986	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			38.6	0	2M-H	C8H10O5S	0.821028697	1045.6241	982.3807348	1031.831166	869.290562	1328.654786	853.1463807	890.3238982	907.8632406	1265.850068	1114.707105	1011.623942	1142.785943	1001.34433	860.3691846	994.0141117	804.3888371	808.2160131	964.2750098	1067.017734
1.95_448.9995m/z	448.9994806	1.949816667	neg	Uridine diphosphate (UDP)	97	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C9H14N2O12P2	-2.275716631	413.6997979	384.3624523	365.8938776	0.000297236	235.1457098	0.000297236	96.6190494	2956.314264	548.4428941	0.000297236	73.95443246	0.000297236	140.0537089	62.55486385	0.000297236	44.05349493	0.000297236	89.33835262	0.000297236
10.02_321.1706m/z	321.1705576	10.02045	neg	Panaquinquecol 2	93549	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.6	0	M+FA-H	C17H24O3	-0.68778099	920.6201897	981.0867134	1006.496184	497.8638267	983.047503	709.9751777	798.490932	1116.02228	1335.913212	1463.889662	1239.788324	605.3399802	515.6495133	913.6665489	1096.747071	1082.082129	660.4670572	493.2341121	601.2909501
10.05_311.1570m/z	311.1570331	10.04785	pos	β-Gal-NONOate	45168	Unclassified	Unclassified	Unclassified			38.6	0	M+NH4	C10H19N3O7	3.096205574	5261.897394	4916.216198	5315.017509	5707.396634	5285.288639	5339.653267	6040.798737	4980.360617	4742.228907	5495.249352	5439.914289	5258.696298	5300.476665	5962.72091	5821.686719	5439.632611	6108.255925	5293.190223	5487.553366
10.38_285.2069m/z	285.2069493	10.3819	neg	9-Pentadecenoic acid	86472	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.6	0	M+FA-H	C15H28O2	-0.764985281	1325.144981	1919.136158	1747.647368	1280.605353	1953.680616	1300.623825	1419.679906	806.5863263	1004.362263	1416.855811	1215.574186	1215.535109	1489.655284	1560.5929	1578.036788	1274.855824	1624.960723	975.7505784	1312.466775
10.51_470.3833m/z	470.3833064	10.50568333	pos	"5b-Cholestane-3a,7a,12a,23R,25-pentol"	HMDB0000513	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C01571	38.6	0.613	M+NH4	C27H48O5	-1.533613443	10271.90117	10929.20103	10774.30772	6832.065604	10721.51863	13801.29251	7532.543656	24013.42589	18100.18007	9696.027155	7811.259604	13771.15478	10672.11434	11256.50514	9290.664073	8013.201136	10967.53023	9109.021107	9779.956796
10.64_520.2658m/z	520.2658306	10.63623333	neg	"LysoPE(0:0/18:3(9Z,12Z,15Z))"	HMDB0011479	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		38.6	1.43	M+FA-H	C23H42NO7P	-4.758550998	123683.7605	123900.2861	128495.7989	143753.0123	134220.9828	145279.3367	138987.8732	89459.35496	124599.3409	121533.5838	120060.9368	130799.7044	175281.4946	159762.889	125955.2006	132626.6136	143957.3303	137993.1458	164521.0063
10.68_625.3089m/z	625.3088667	10.67961667	neg	HOMIDIUM	44366	Unclassified	Unclassified	Unclassified			38.6	0	2M-H	C21H19N3	0.555491573	9065.133199	8786.754523	8075.436274	10683.06425	8211.857786	10523.38878	10781.11942	7792.581135	9892.626132	8404.390789	8089.529213	8554.887785	11239.14262	9297.174112	8999.769675	10828.0209	10122.33443	8154.312565	10403.0997
10.76_568.3258m/z	568.3257857	10.76428333	neg	PE(10:0/10:0)[U]	40415	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C25H50NO8P	0.341300363	2714.482596	2262.870832	1981.926545	3159.227085	2784.685737	3093.781933	2355.40348	3012.776904	3415.217923	2536.418511	2846.812688	3935.461503	3448.945889	4807.242515	3552.933762	4631.093591	2630.695716	3499.743867	3808.00942
10.78_560.3111m/z	560.3110819	10.7763	pos	PC(0:0/18:1(9Z))	LMGP01050082	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		38.6	0	M+K	C26H52NO7P	-0.413950218	6259.606605	3580.155435	4725.275457	4794.650755	8199.210712	6948.256338	4773.021807	4634.462973	6570.947753	4110.790507	3139.212194	3901.308027	5585.628165	3480.900876	6324.010566	5470.747527	4054.025571	4543.980359	7380.881669
10.81_271.2278m/z	271.2277521	10.80621667	neg	7-Ethyltridecan-6-one	LMFA12000255	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C15H30O	-0.514167468	1815.104848	1743.135757	2045.771835	2158.387508	2704.43014	1980.848937	1663.026514	2074.256428	2231.194783	2261.234579	2091.418511	2013.793509	2012.005602	1865.482441	1858.115075	1833.553816	1897.293773	2154.898384	1983.964204
10.91_634.3337m/z	634.333689	10.9122	neg	Pentasine	HMDB0029803	Organic acids and derivatives	Carboxylic acids and derivatives	Pentacarboxylic acids and derivatives			38.6	2.06	M-H2O-H	C30H49N6O10+	0.785698437	102516.8686	88781.19285	102406.646	95176.94556	124455.8898	124358.81	102945.5655	100195.3677	115154.778	108781.4464	101917.5169	112593.1502	127483.5199	112109.3511	115754.9934	108110.713	113458.1324	95328.74417	113358.9291
11.00_488.3130m/z	488.3129702	10.99718333	neg	PC(17:1(10Z)/0:0)	LMGP01050002	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			38.6	2.21	M-H2O-H	C25H50NO7P	-3.30807973	7257.475809	6628.852856	6686.914825	8053.05167	7464.036935	9236.150501	7623.571005	10120.70965	8955.093862	7522.100029	8269.544429	8196.553491	6647.238507	7495.967105	5912.660759	6239.7704	6712.235216	7099.757281	7164.113625
11.02_538.3151m/z	538.3151333	11.01853333	neg	PC(16:1(9Z)/0:0)[U]	40289	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C24H48NO7P	0.184373136	8889.285093	9644.05234	9419.694673	7545.949728	9484.982609	9431.314439	10401.20616	1671.169812	1893.679901	9950.510962	9436.323749	4198.787597	11791.48479	11962.36851	11842.99119	11478.19124	11937.76892	9078.19312	12174.5339
11.10_487.0013m/z	487.0012851	11.1045	neg	(2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid	HMDB0124975	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			38.6	0	2M-H	C9H8O6S	0.499130448	2609.870832	2513.954996	3226.598238	2336.751154	2305.379152	3258.852926	3397.688819	4232.217303	2719.042872	3312.303054	2725.686524	3306.451028	2653.921567	2849.554721	2603.351285	3468.700375	2833.931455	2075.42185	3024.071236
11.17_507.3685n	508.3758132	11.16918333	pos	PC(O-18:1(9E)/0:0)[S]	40373	Unclassified	Unclassified	Unclassified			38.6	0	"M+H, M+Na"	C26H54NO6P	-0.666827245	165042.08	164473.7219	160928.5107	170363.0716	192314.9291	232241.4804	156400.0885	211479.2336	182616.7742	159237.6094	146040.3026	160823.3214	146568.345	145603.1808	182792.8665	177504.1526	209789.7169	185720.9634	139383.4417
11.44_442.2961m/z	442.2960826	11.44436667	neg	17-phenyl trinor PGF2α diethyl amide	45717	Unclassified	Unclassified	Unclassified			38.6	0	M-H	C27H41NO4	-0.45056241	1337.117859	1583.882041	1163.211363	2145.651841	966.1304184	1427.271476	801.3324233	4603.250767	2058.134417	543.7520634	1311.925801	3606.88838	1309.856625	1204.515538	1124.477476	1688.994332	1526.907318	2171.974815	1394.041954
11.72_319.2276m/z	319.2275665	11.7209	neg	5α-Androst-16-en-3α-ol	41837	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C19H30O	-1.101099018	2511.857116	2480.945712	2443.819992	2896.50296	1588.290587	4753.194422	2557.018457	1088.935592	954.0913851	1657.556093	3252.392422	2298.649342	4635.298371	3337.519026	2093.390975	2253.948254	2687.860085	3102.636572	3072.684969
11.78_447.2750m/z	447.2749967	11.78411667	neg	7b-Hydroxy-3-oxo-5b-cholanoic acid	HMDB0000541	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		38.6	0	M+FA-H	C25H38O4	-0.536637962	3661.954994	2803.134887	2645.932266	4817.353794	2510.105863	4676.814177	3551.200118	5671.694076	4147.757548	3063.906993	4548.027116	3239.556634	3327.483542	4064.102054	4485.711967	4255.906803	3744.229064	3785.075261	3761.121447
11.95_557.2889m/z	557.2889462	11.95288333	neg	Metalaxyl-M	72420	Unclassified	Unclassified	Unclassified			38.6	0	2M-H	C15H21NO4	3.772730584	4876.920116	3274.11001	4266.850582	6538.990521	7576.243023	6505.386546	6638.346734	6634.912793	5574.225559	6778.698684	6504.767809	13725.0554	4707.566877	3766.495295	5580.470548	5582.317755	5684.628355	7163.453472	4571.03101
12.14_338.2699m/z	338.2699435	12.14313333	neg	cis-Hydroxy Perhexiline	HMDB0060644	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			38.6	0.322	M+FA-H	C19H35NO	-0.423260233	3046.308354	3489.349297	3634.898059	3387.946489	4349.050037	4751.484535	2302.855734	3139.284316	2673.464204	2943.607019	3096.291716	4473.700946	3794.437378	4049.596157	3111.159822	4508.806277	3607.450744	4637.510582	4075.503772
12.61_155.0111m/z	155.0111015	12.60645	neg	Dimethyl hydrogen phosphite	73109	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C2H7O3P	-3.472771321	105.120079	170.6551436	172.1357931	255.9956321	228.4867927	179.3449952	232.8588542	226.0380671	140.0493138	309.9214518	93.66638341	123.1146424	85.95789368	134.2174841	80.42668277	219.6175748	100.8890984	206.1307367	210.5147991
12.84_155.0111m/z	155.0110976	12.83785	neg	Fosetyl	72209	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C2H7O3P	-3.508157478	192.7193864	220.8067752	201.697773	278.3528442	313.2294516	319.5413229	286.4724176	292.5638858	150.9946763	343.70331	239.668685	197.1691698	141.6288462	112.0731114	263.128642	174.8753055	277.4415336	128.6026201	277.2420356
13.43_283.2625m/z	283.2624654	13.43323333	pos	Elaidic acid	HMDB0000573	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C01712	38.6	0	M+H	C18H34O2	-2.449288928	8563.050067	7189.629003	9622.287849	8418.092949	17483.99339	11812.89014	8607.243201	16088.09179	12933.96365	9517.147768	8792.602495	11240.6887	14477.24284	9180.97241	7778.385418	8623.511967	8929.36333	11367.69047	12003.32978
13.85_284.2941m/z	284.2941483	13.84998333	pos	2-Tetradecylcyclobutanone	HMDB0037517	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.6	0	M+NH4	C18H34O	-2.414714247	11835.45015	8251.410868	13307.42279	14071.02936	12113.19029	12255.34652	13033.55644	13593.21776	14085.89223	12442.38481	14227.42526	10058.93586	11671.20711	11126.53002	10920.52253	11892.05684	12144.38209	12828.93792	11930.76147
15.64_174.0524n	155.034569	15.63521667	neg	Shikimic acid	HMDB0003070	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	**	C00493	38.6	17.3	"M-H2O-H, M-H"	C7H10O5	-2.374279661	7968.342464	10206.20778	12422.48748	16289.10185	13591.46537	12608.9881	12314.00042	12846.67699	11983.03152	12238.9718	12796.92457	7788.138274	7990.010486	7643.3034	6852.856357	7386.037697	6716.088756	7505.9398	6775.90338
15.76_117.0911m/z	117.0910668	15.75651667	pos	Methyl (S)-2-Methylbutanoate	86469	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.6	0	M+H	C6H12O2	0.523380021	3814.131675	4236.969359	3352.284481	3696.331554	4043.995056	3866.206668	3720.018982	3569.366051	3340.22697	4255.087269	4454.980321	4268.075445	4007.308673	3596.365803	3258.962357	3295.633058	3529.99295	3095.638805	3683.938431
15.85_112.0870m/z	112.0870449	15.85248333	pos	Betazole	HMDB0014417	Organic nitrogen compounds	Organonitrogen compounds	Amines			38.6	0.528	M+H	C5H9N3	1.09122349	75805.91726	91015.4128	80697.59556	82745.99477	61956.85721	69901.30365	71823.38756	64654.86594	64662.92748	71825.11002	71510.57775	76588.54987	80862.63641	80225.63339	82723.00811	88656.93927	74695.27058	72258.58767	68450.72588
2.06_444.2374m/z	444.23742	2.057533333	pos	Kushenol T	LMPK12140117	Lipids and lipid-like molecules	Polyketides	Flavonoids			38.6	8.73	M+NH4	C25H30O6	-1.511452257	38121.17821	32899.67778	36364.04638	44014.671	41788.60305	36608.94268	29462.2955	33314.8785	29396.67576	32495.52593	38058.78747	27707.1359	33269.41826	31655.5466	33766.19401	38037.30889	35841.16747	31911.29225	44822.14232
2.16_133.0859m/z	133.0859171	2.15675	pos	D-Leucic acid	5597	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C03264	38.6	0	M+H	C6H12O3	-0.02737226	1158.458751	1125.236872	1176.520103	1359.1581	1218.536712	1451.05923	1498.96373	1160.867493	1284.288625	1278.609135	1188.073343	1258.018732	952.3713631	1281.810788	1082.333352	931.5974228	934.257645	1300.281338	1221.254774
2.27_181.1222m/z	181.1222385	2.2732	pos	4-(Butoxymethyl)phenol	94499	Benzenoids	Benzene and substituted derivatives	Benzylethers			38.6	0	M+H	C11H16O2	-0.375549878	9505.879543	9382.499784	9301.534753	9752.726273	8768.890744	9264.885754	9461.100056	9603.031616	8622.690289	9075.567289	9263.962746	10090.59845	9010.001577	9736.811075	10299.05967	10060.81612	9349.596145	9497.130874	8617.035419
2.27_275.1249m/z	275.12488	2.267433333	neg	Saccharopine	383	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00449	38.6	0	M-H	C11H20N2O6	0.072550648	728.6642556	882.7273265	1017.880606	850.2964632	797.2299329	1226.753254	812.1200799	731.6245865	844.5242748	1040.107122	712.5341441	717.4537848	1051.677019	862.09401	708.9111725	664.6665653	813.1726844	900.5402877	930.9107519
2.46_236.0923m/z	236.0923442	2.458216667	neg	N-Isopropylterephthalaldehydamide	2109	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C11H13NO2	-2.550115508	1157.893114	1147.647573	1086.387295	1465.79327	1022.551873	1266.708832	1042.726336	1080.320247	1256.347614	1067.915364	1190.290833	953.5779411	1013.74033	1012.341254	1431.757092	1402.943269	1090.906553	1572.284891	1255.921492
2.49_133.0859m/z	133.0859382	2.488916667	pos	Leucinic acid	64935	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.6	0	M+H	C6H12O3	0.13259777	1379.347787	1133.962645	1229.0727	1377.118524	1286.60251	1213.860305	1385.781111	1238.966848	879.9060882	1229.468322	1141.776055	1310.649116	998.2015801	932.3678605	1064.256085	1232.068659	971.4650415	1329.613303	1240.850969
2.58_314.1358m/z	314.1357611	2.583916667	neg	Clavamycin D	71638	Unclassified	Unclassified	Unclassified			38.6	0	M-H	C13H21N3O6	0.006695216	882.0728369	903.9362443	961.0583182	867.6086454	1024.017881	1612.296745	699.8288674	1183.583204	1045.824111	1218.421498	814.9719549	613.8422685	828.6182557	776.2428372	950.6240928	807.9864028	585.3454879	890.3205207	1116.022318
2.74_233.1490m/z	233.149022	2.743033333	pos	altretamine	3923	Organic nitrogen compounds	Organonitrogen compounds	Amines			38.6	0	M+Na	C9H18N6	2.411267738	2389.816788	2383.496082	2347.549398	1750.750635	3592.781256	2350.02752	2889.114526	1120.29789	1094.642796	3484.530732	2314.253349	870.1552483	3468.954217	2604.506963	2574.886776	2160.45529	1539.438998	1447.056571	2881.19532
2.75_517.1543m/z	517.1543008	2.754933333	neg	1-O-Cinnamoyl-beta-D-gentiobiose	HMDB0030295	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Cinnamic acid esters			38.6	11.8	M+FA-H	C21H28O12	-4.190207342	3573.860038	3864.981142	3729.357878	4994.454133	2864.792371	4038.104722	4729.949377	2517.334814	2884.12775	3908.294034	3902.258654	3405.921274	5520.213758	3152.024317	2530.091235	3065.212955	2641.13614	5473.416522	3321.994111
2.90_133.0859m/z	133.0859124	2.902133333	pos	5-Hydroxyhexanoic acid	HMDB0000525	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.6	0	M+H	C6H12O3	-0.06272397	1338.159692	1108.314312	1382.854246	1255.269038	1163.717536	1419.505987	1434.937032	1189.0766	1227.700753	1163.181959	1217.581372	1244.468744	995.9882353	872.8324606	1111.163183	1160.413965	1095.260201	1299.278824	1292.338674
2.98_115.0391m/z	115.039072	2.979516667	pos	(S)-Methylbutanethioic acid	HMDB0061879	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.6	0	M+H-H2O	C5H8O4	0.768642456	2532.34266	2402.098875	2069.25438	2442.931646	1819.105565	2902.837949	2662.01142	2288.875523	2049.732037	2433.958904	2362.579476	2440.601795	2274.337512	2077.463628	1912.690953	2648.527899	2476.679979	2337.542536	2260.580206
3.00_181.1222m/z	181.1222387	2.99955	pos	3-tert-Butyl-4-hydroxyanisole	HMDB0059925	Benzenoids	Phenols	Methoxyphenols			38.6	0	M+H	C11H16O2	-0.374722759	8449.938164	7623.362152	7448.721777	7413.796926	7130.871191	7191.161154	7229.543185	6926.379044	7024.485151	6995.614968	7549.107781	8001.404389	7587.216441	7068.861999	7246.550584	7199.064875	8514.725007	7159.658601	7213.04364
3.44_105.0338m/z	105.0338456	3.435833333	pos	3-(2-Furanyl)-2-propenal	88823	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			38.6	0	M+H-H2O	C7H6O2	2.904452731	934.0194776	911.0359149	1051.978886	1024.300567	969.6131498	1032.181613	1064.483547	939.4145628	1021.753567	954.855633	1045.814985	985.4721601	905.7542678	901.2865865	1084.380031	874.0596998	972.6539874	995.6350031	922.9002307
3.49_219.1230m/z	219.1229654	3.494566667	neg	"Nonanoic acid, 8-hydroxy-, (R)-; (-)-(R)-8-Hydroxynonanoic acid"	74639	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C9H18O3	-4.777525878	68.41141487	111.5832638	85.00822067	0.000297236	90.60506166	68.01744115	0.000297236	718.9795623	322.8371626	155.0053995	0.000297236	131.7785823	0.000297236	0.000297236	0.000297236	0.000297236	27.07516605	0.000297236	0.000297236
3.62_235.1083m/z	235.108302	3.619033333	neg	5-Methoxytryptamine	7015	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives	**	C05659	38.6	0	M+FA-H	C11H14N2O	-2.703451857	383.7880988	300.9130571	257.915583	212.642758	512.0225065	377.5101351	328.6914729	168.3560197	81.70468159	519.0241282	280.6270925	118.3789653	325.2675536	461.1757721	271.3526233	229.9144112	386.9604753	208.1321699	295.7223991
3.64_403.9915m/z	403.9915322	3.640283333	neg	5-Azacytidine 5'-diphosphate	1181	Unclassified	Unclassified	Unclassified			38.6	0	M-H	C8H13N3O12P2	3.364126133	16359.02738	16540.44988	16918.5809	18023.44701	16334.01477	16225.64884	15593.92782	14973.54612	15715.8165	16687.35157	17969.10952	13525.89684	14957.60192	15928.97027	18437.59413	17232.01541	17480.51165	16609.72686	13116.77904
3.68_289.0320m/z	289.0319608	3.680483333	neg	D-glycero-D-manno-Heptose 7-phosphate	63657	Unclassified	Unclassified	Unclassified			38.6	0	M-H	C7H15O10P	-3.606559994	442.5605455	336.4817355	416.0311337	268.5222589	474.7255671	583.1558303	934.5225639	175.3948836	65.69547284	668.4045469	337.3978555	71.22522311	603.1969062	706.3830634	344.0049632	438.5323706	869.5018857	101.0037604	299.3652277
3.70_363.1150m/z	363.1149796	3.70115	neg	Diisopropyl sulfate	72953	Unclassified	Unclassified	Unclassified			38.6	0	2M-H	C6H14O4S	-0.834476963	1161.018057	1186.512599	1043.228667	1240.461884	1511.201595	1412.401456	1426.897318	1202.205667	748.9171212	1510.147824	1130.239662	512.9659762	1016.054218	947.5022763	1126.364782	1255.43165	1116.178473	1172.860387	1320.980518
3.74_320.1713m/z	320.1712996	3.743483333	neg	N-(3S-hydroxydecanoyl)-L-serine	45741	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C13H25NO5	-0.640213987	388.5117231	358.1703952	324.8813095	248.5334366	263.6438254	400.9081649	308.0229651	603.4189859	967.0703892	312.0819549	352.5826545	488.2695018	292.9306667	308.8631338	312.3717349	254.9776061	228.498512	223.9711861	242.2279371
3.76_175.1188m/z	175.1187908	3.763516667	pos	D-Arginine	HMDB0003416	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00792	38.6	0	M+H	C6H14N4O2	-0.926430642	1165.945404	1309.490134	1188.725048	1404.884308	1643.780282	1440.355149	1085.082807	1036.276036	1088.485477	744.4308101	1099.959842	1782.067151	1621.339048	1362.353715	1652.756232	1847.943952	1156.888932	1317.050366	1070.201995
3.81_326.0291m/z	326.029104	3.807833333	neg	Cyclic GMP	HMDB0001314	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Cyclic purine nucleotides	**	C00942	38.6	0	M-H2O-H	C10H12N5O7P	-1.417943914	1762.23173	1998.292425	1886.549961	919.3162605	4173.127985	2081.206076	3275.665686	946.7890881	1088.287766	4613.158977	1505.786754	671.8919991	2026.334523	2683.510505	1889.664802	1798.593919	1773.692883	1039.381113	1898.609186
3.87_281.1132m/z	281.1131527	3.868866667	pos	Phenylalanyl-Aspartate	85893	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	M+H	C13H16N2O5	-0.16194056	1253.193172	1584.703051	1412.796988	1213.021974	1072.679091	2557.11579	804.0889057	2541.350921	1366.611004	1700.013093	1073.932714	1648.399145	1211.325676	1279.202965	622.4895601	910.0777589	1408.690158	1362.948615	1272.260577
3.96_489.1951m/z	489.1950882	3.9553	neg	Asparaginyl-Hydroxyproline	85647	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	2M-H	C9H15N3O5	0.047910316	1807.433538	1277.261169	1344.96043	1508.657774	1443.876846	1112.693025	2576.411018	379.0072344	482.4573894	1642.180103	1796.224546	633.7277641	4008.077589	2566.150016	2018.688433	869.3907209	1983.140341	1071.913899	2222.504907
3.96_519.0586m/z	519.0585667	3.9553	neg	Demethylbellidifolin	68100	Unclassified	Unclassified	Unclassified			38.6	0	2M-H	C13H8O6	3.205667599	1076.951706	1184.374864	809.845108	1273.841559	1219.547007	1067.795535	967.0968583	1599.713233	1628.049724	1371.304613	900.0676961	1360.581373	1300.595165	1294.238277	1410.7453	1085.243835	1355.171348	1082.805593	1198.410251
4.02_262.0389m/z	262.0389489	4.01795	neg	Normetanephrine sulfate	1595	Unclassified	Unclassified	Unclassified			38.6	0	M-H	C9H13NO6S	-0.504966425	271.7363245	329.1179596	287.7058163	421.6304718	306.1029207	178.5643364	171.5273151	0.000297236	0.000297236	162.138081	409.6748447	64.4767885	193.1218011	331.6292381	520.3369382	457.8441685	196.2214275	586.747374	644.4514691
4.08_160.0967m/z	160.096707	4.077516667	pos	Homofureanol	89506	Organoheterocyclic compounds	Dihydrofurans	Furanones	*		38.6	0	M+NH4	C7H10O3	-0.793085438	2579.953765	2990.401744	2789.692219	1958.535771	3853.25576	2818.892982	1980.404785	3484.699695	2852.952137	3502.709709	2187.187008	1769.802418	2836.539151	3383.649788	3408.335118	2696.207466	4710.448318	3265.279496	2260.848525
4.08_483.9519m/z	483.951874	4.078183333	neg	Gemcitabine (dFdCTP)	673	Unclassified	Unclassified	Unclassified			38.6	0	M-H2O-H	C9H14F2N3O13P3	-2.065141669	1360.896041	1144.054889	1173.817689	967.2544442	1538.583818	1973.160507	877.4072097	1528.823097	674.145526	1517.552682	759.9681393	1520.743417	1142.615649	984.368494	1432.750901	652.361183	1356.168062	793.3208932	822.3484981
4.16_216.1230m/z	216.1229609	4.1621	pos	"(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid"	HMDB0034099	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.6	0	M+NH4	C10H14O4	-0.371482361	3621.336577	3921.170069	3708.170326	3285.023699	4701.692157	3647.416422	3093.385963	6577.91112	4601.056549	3035.233753	2990.96319	4148.677986	3709.17714	3996.587692	3930.942955	2340.958003	3427.407991	2587.231076	4489.298956
4.16_261.1242m/z	261.1242288	4.161483333	neg	Tetrahydroharmine	67548	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C13H16N2O	-1.097627913	2299.917542	2187.286545	2474.993279	2510.744875	2634.474036	3363.780937	2600.139398	2328.963352	1696.5586	3281.656451	2634.3919	1480.03315	2062.970227	1864.384496	2149.053567	2291.331132	2341.893484	2545.177525	2607.790169
4.22_404.1485m/z	404.1485313	4.224166667	pos	"8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin"	LMPK12120227	Unclassified	Unclassified	Unclassified			38.6	6.2	M+NH4	C24H18O5	-1.859185314	1032.059545	1300.119703	1603.230725	112.652227	434.3908377	397.8707755	184.9905014	10582.18837	7353.280096	318.5108675	344.6609545	4386.430446	314.5365945	153.407581	152.8426896	126.7424883	289.0794777	149.2374865	188.1057138
4.37_275.1058m/z	275.1057782	4.36835	pos	Purpuritenin B	LMPK12120004	Lipids and lipid-like molecules	Polyketides	Flavonoids			38.6	6.76	M+H-H2O	C19H16O3	-3.005374598	4280.337537	4634.390992	4343.528995	4768.52606	4328.03356	4121.973976	4625.222727	3973.958442	4616.275443	3683.810561	4589.522531	5717.100893	4548.899171	4874.036972	4474.742602	3346.141832	3561.341274	4165.475475	4403.580183
4.52_475.1095m/z	475.1095166	4.5199	neg	"6-[1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0128698	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.6	0	M+FA-H	C18H22O12	0.436241169	750.0625307	523.9619973	830.211277	2714.46836	527.5651556	178.5627829	532.5344622	869.2600951	563.4222721	102.4555875	672.3117762	998.3772784	457.7427304	834.9038377	478.4504574	281.4051839	1118.898819	763.4752795	287.1642299
4.58_222.0587m/z	222.0587067	4.583666667	neg	1-Isothiocyanato-3-phenylpropane	HMDB0038444	Benzenoids	Benzene and substituted derivatives	Unclassified			38.6	3.04	M+FA-H	C10H11NS	-4.046802067	862.5384134	758.1618155	840.7959766	778.6807484	607.2940522	703.4651036	403.0226746	1290.845325	1228.979682	519.153648	765.7632726	1560.857644	540.1624493	459.0365328	573.5372395	708.9950629	784.8785384	1212.282015	957.6358482
4.91_270.0781m/z	270.078122	4.91215	neg	Aziprotryne	72841	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C7H11N7S	1.131960166	1460.068996	1743.676163	1479.589518	802.6084916	2275.177072	1605.463324	1876.557139	619.4816399	871.6229769	1557.584746	1218.649957	738.4087454	1668.526058	1115.274972	1128.0711	1223.236026	1195.76715	955.555865	1210.453064
4.92_155.0700m/z	155.0700035	4.92085	pos	cis-4-Octenedioic acid	HMDB0004982	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.6	0	M+H-H2O	C8H12O4	-1.552167213	3373.758754	3198.963693	3327.359875	3918.902937	3342.027831	3339.463275	3634.75154	4130.775069	3274.436863	3450.109172	3942.352221	3656.580322	3710.098371	4056.167826	4371.79864	3697.204192	3312.670481	3412.372907	3630.38358
4.98_303.1772m/z	303.1772346	4.982933333	pos	Arginyl-Glutamine	85622	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	M+H	C11H22N6O4	-0.976418107	7310.673813	7194.490481	6502.212514	3507.108089	8558.309266	6282.751734	9075.375342	10066.64936	5879.048116	3781.871594	7038.090506	7104.479296	4391.537492	10039.73164	3658.610114	8692.544116	6569.16403	4578.27419	11243.47399
5.02_200.1283m/z	200.1282961	5.017966667	neg	Valproylglycine	HMDB0013116	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.6	0	M-H	C10H19NO3	-4.578663202	230.9095261	192.5868976	225.2924572	290.749937	316.4743478	169.5379123	293.0684252	399.9472468	207.2601311	372.438658	217.1261292	258.7782528	197.9604163	262.312477	594.6020283	409.6048069	239.1227092	257.7312603	222.1511651
5.10_409.2232m/z	409.2232371	5.103283333	neg	"3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al"	57884	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	**	C05474	38.6	0	M+FA-H	C21H32O5	0.165036785	1845.33869	1642.297517	1636.529926	1772.007935	653.2444477	1101.187603	1720.411286	2469.484196	907.0035125	1370.006374	1984.525897	1253.478206	2154.800657	2272.327453	2680.514022	2293.721017	2379.231612	1963.692616	1823.165043
5.63_387.2389m/z	387.2388858	5.6296	neg	13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid	95353	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	*		38.6	0	M+FA-H	C19H34O5	0.171775135	1328.561137	1486.537536	1584.543015	1310.37507	841.7296447	2086.514819	1131.663907	598.2485583	161.2552176	979.8005418	1067.8532	1375.902697	890.0462654	1020.977098	1961.105192	2019.64851	2598.268238	2183.964074	2838.026849
5.68_369.2281m/z	369.2280572	5.679333333	neg	TOFA	34518	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C19H32O4	-0.632926228	1631.446948	2117.483357	1787.455744	3213.816394	1167.059524	2735.967955	1002.316515	1656.47085	675.7138966	910.9410897	1304.744851	1455.010275	1377.232157	1293.567742	1656.423498	2179.961301	2352.53641	3455.816012	3062.857092
5.77_196.0243m/z	196.0242737	5.771433333	neg	"3-Hydroxy-2-methylpyridine-4,5-dicarboxylate"	HMDB0006955	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	**	C04604	38.6	0	M-H	C8H7NO5	-4.426657788	271.4668529	202.8079196	227.88307	603.1541372	461.4035383	238.4865498	394.1978848	592.1453018	174.2597195	654.4173946	355.5464877	708.0989341	763.7392345	783.3748208	195.6330851	368.794643	328.3047541	370.9450537	501.2525899
5.77_255.0660m/z	255.0660124	5.771433333	neg	Liquiritigenin	LMPK12140061	Phenylpropanoids and polyketides	Flavonoids	Flavans	*	C09762	38.6	9.92	M-H	C15H12O4	-1.054600774	257.7363166	219.1511168	261.5024998	0.000297236	446.2072517	733.949556	0.000297236	0.000297236	0.000297236	1632.285729	5.774252448	0.000297236	161.5298147	118.4439316	626.1074217	61.30532094	274.6598232	144.4581525	24.47045676
5.79_210.9990m/z	210.99896	5.79205	neg	Endothal-disodium	72500	Unclassified	Unclassified	Unclassified			38.6	0	M-H2O-H	C8H8Na2O5	0.38776863	3909.410509	4088.20008	3845.415951	4537.69183	3861.676727	3986.212857	4466.876809	3543.678291	3720.305935	4134.437115	4635.312391	3580.521513	4048.53711	3920.168784	3442.643966	4786.995335	4054.45046	4025.304425	3645.811065
5.92_223.0943m/z	223.0943184	5.920616667	neg	Streptamine	65662	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C6H14N2O4	4.259712481	796.4086736	907.394371	758.3999	580.0414776	894.9407668	1373.001571	452.3440025	1588.157131	838.4470013	1400.08717	520.7208912	545.3107635	828.4210763	635.8250023	513.3434802	764.2528608	599.7280641	508.413461	679.7470767
5.96_580.2562m/z	580.2561989	5.96125	neg	Streptomycin	HMDB0015214	Benzenoids	Benzene and substituted derivatives	Xylenes	**	C00413	38.6	2.59	M-H	C21H39N7O12	-3.775183394	6125.731051	7605.494089	6866.05375	2315.898473	4977.436455	4851.325391	3009.696604	4020.009035	19570.74354	5900.932988	2307.745234	6268.60491	1742.224878	2145.255153	22031.73055	2362.970259	5634.519617	9551.107309	1403.619448
5.98_105.0337m/z	105.0337262	5.980433333	pos	Tropolone	70933	Unclassified	Unclassified	Unclassified			38.6	0	M+H-H2O	C7H6O2	1.925617254	1022.837445	896.9695311	1027.427659	1001.129931	1046.536224	1103.159191	1242.612923	1126.153003	1208.10371	1000.081969	1129.960586	1031.610132	844.8183225	828.8619266	947.1483235	1231.93486	981.8898881	1021.203659	956.8593305
6.03_239.0921m/z	239.0920796	6.026116667	neg	"2-Benzyl-5-hydroxymethyl-1,3-dioxolane"	95891	Benzenoids	Benzene and substituted derivatives	Unclassified	*		38.6	0	M+FA-H	C11H14O3	-2.151399784	348.1574972	347.1577956	370.5184698	207.6620412	241.9603095	165.8125845	220.6130928	1625.919233	498.5137853	197.5686114	295.9343693	276.4196142	281.151656	334.4247893	185.7265635	175.184021	176.0307458	175.4016542	199.9868439
6.04_415.2337m/z	415.2337189	6.044416667	neg	Aminocarb	68814	Unclassified	Unclassified	Unclassified			38.6	0	2M-H	C11H16N2O2	-3.267721824	1229.860991	1358.279301	1428.659561	2390.40367	550.4282887	1810.946994	849.5770288	2062.095692	670.5422965	455.580375	1283.837825	1738.765418	947.3957928	1261.053986	1143.022995	1615.325583	1586.654678	2396.538867	1758.854583
6.31_473.0724m/z	473.0724311	6.3092	neg	Theaflavic acid	95089	Phenylpropanoids and polyketides	Flavonoids	Flavans			38.6	0	M+FA-H	C21H16O10	-0.276821031	2365.118491	2487.554056	2412.346569	2854.058207	2418.431378	2453.486196	2295.496381	2532.056005	2697.428963	2943.184027	3729.566086	2408.829099	2542.218457	2680.725604	3246.728258	2778.631781	2440.650153	3111.677478	1911.560054
6.54_373.2733m/z	373.2732513	6.5431	pos	"Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5b,6a)-"	1090	Unclassified	Unclassified	Unclassified	***		38.6	0	M+H-H2O	C24H38O4	-1.204567467	1058.349614	1074.674984	1438.941063	2063.245274	308.6135574	575.8063944	256.4511524	0.000297236	0.000297236	4623.750765	508.6232634	0.000297236	898.4943437	1381.528734	1005.716395	1251.491012	2312.89924	2695.169984	724.4807369
6.72_387.2050m/z	387.204955	6.7244	neg	"3-Hydroxy-N-glycyl-2,6-xylidine (3-Hydroxyglycinexylidide)"	1003	Unclassified	Unclassified	Unclassified			38.6	0	2M-H	C10H14N2O2	3.029429157	6740.663249	6400.876103	6764.206194	4681.233519	4597.156613	4472.907129	6367.024416	4029.030281	14744.00869	6057.569153	4715.983657	9223.097916	18333.05475	4920.325576	4542.363243	4921.68744	9318.832663	5439.201805	6559.040417
7.26_389.2099m/z	389.2098611	7.260533333	neg	PA(16:1(9Z)/0:0)	LMGP10050016	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	*		38.6	0	M-H2O-H	C19H37O7P	0.029464746	1662.672356	1299.417052	1099.106771	2293.582783	451.9241446	1434.625006	874.7655864	1603.481864	969.4752775	650.7024394	1107.827575	1419.977329	1155.616154	1256.524671	1145.829524	1348.931804	1368.102832	1541.83887	1858.634571
7.38_239.1285m/z	239.1284505	7.381533333	neg	"Ethyl (2E,4Z,7Z)-Decatrienoate"	HMDB0035376	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.6	0	M+FA-H	C12H18O2	-2.226292445	1153.32135	1072.633806	1024.273654	1114.091652	1185.789779	1003.350427	1293.448823	830.563135	942.1297281	1000.320367	1267.367642	980.1784811	962.7624016	1317.330467	1200.92084	1163.096622	979.3556852	1139.03662	1068.86967
8.19_408.2876n	453.2858295	8.185116667	neg	omega-muricholic acid	84380	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*	C17727	38.6	0	"M-H, M+FA-H"	C24H40O5	0.13438531	3545.366761	3189.601295	3798.201921	2104.454473	1962.306807	3047.856168	2597.366114	408.1390243	2944.40523	3380.136401	5864.053396	169.8112347	2213.590316	3735.698814	8201.662383	1986.796289	6033.896394	7749.680204	2317.694009
8.62_451.2701m/z	451.2701116	8.622666667	neg	7-Ketodeoxycholic acid	HMDB0000391	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		38.6	0	M+FA-H	C24H38O5	-0.038381057	1132.252199	897.076574	915.5959736	1143.079324	81.48388498	200.2230803	194.4131948	0.000297236	0.000297236	2106.597836	248.0313698	0.000297236	291.5480135	133.3035176	1423.347957	676.8097386	919.4425039	2253.435219	5580.226397
9.09_470.2887m/z	470.2887196	9.090516667	neg	PC(O-6:0/O-6:0)	40250	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C20H44NO6P	-0.253946442	2056.840072	2461.46846	2703.756985	2599.14467	2452.497877	1877.639339	2293.910402	1128.406426	4663.911802	1316.574929	1894.138807	3005.456786	3027.547793	2558.301207	1823.768855	1520.875575	1707.069004	1684.713209	3050.982766
9.34_333.2072m/z	333.2071823	9.342166667	neg	Testosterone	HMDB0000234	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	**	C00535	38.6	0	M+FA-H	C19H28O2	0.17092379	1261.893162	1289.521869	1366.147313	1415.097261	901.7268494	1565.51624	954.9501289	2400.104016	921.8735763	1141.92484	721.9786931	1770.023587	1659.942999	1783.024222	1468.627592	1326.043037	1331.229004	1001.32317	1666.173672
9.37_437.1929m/z	437.1929263	9.371833333	pos	4-O-Methylmelleolide	HMDB0037039	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		38.6	0.657	M+Na	C24H30O6	-1.286973312	5707.680268	5724.790026	5379.154032	5163.149727	7117.298613	5507.003658	5120.332925	6640.44284	4534.514627	5649.453137	5814.559888	5706.96306	5883.219497	4188.136712	3198.428202	4967.646017	5290.371272	7537.504892	5146.621447
9.41_338.2660m/z	338.2660102	9.41445	pos	Dehydrophytosphingosine	HMDB0038057	Organic nitrogen compounds	Organonitrogen compounds	Amines			38.6	0.415	M+Na	C18H37NO3	-1.758892755	2915.257772	3215.903165	2942.785066	3597.454448	4008.040206	2423.83381	4593.320168	2631.467476	2187.949174	3176.640556	3569.404941	2495.964875	2486.741463	4190.73537	4011.577847	3458.026166	2103.033967	2348.049869	3164.21904
9.48_299.3052m/z	299.3051913	9.47695	pos	Dodemorph	72556	Unclassified	Unclassified	Unclassified			38.6	0	M+NH4	C18H35NO	-1.773962292	6469.404108	6902.780965	6692.938626	160.5178078	293.7825917	271.6428498	147.9494233	186.9536211	30.1140789	4.237589758	163.5076656	276.814109	675.1886843	1.30736603	210.6822057	13.19680919	13.09813348	20.36375152	532.8487123
9.54_243.1962m/z	243.1961961	9.544916667	neg	omega-hydroxy myristic acid	LMFA01050044	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.6	3.73	M-H	C14H28O3	-1.524400757	6433.512402	5888.747905	6002.211223	4664.727715	7432.714704	9471.662797	4826.638615	4192.174796	4288.179691	5115.506743	5046.511042	3856.721927	14456.10172	7980.016432	6031.31882	5403.320056	5542.740095	4576.686155	6319.467682
9.59_540.3308m/z	540.3308334	9.58745	neg	PC(O-14:0/2:0)[U]	40049	Unclassified	Unclassified	Unclassified			38.6	0	M+FA-H	C24H50NO7P	0.284588815	1348.162706	1558.285699	1825.534054	1657.23664	2313.002646	2518.936306	1173.97688	3549.654451	3067.551246	2218.650482	1346.00687	1981.563954	2024.368264	1627.336406	2084.978278	1543.986339	1934.655134	1426.068954	1937.407413
9.67_484.3281m/z	484.3281378	9.665633333	neg	3-hydroxylinoleoylcarnitine	LMFA07070042	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.6	0	M+FA-H	C25H45NO5	0.367297013	1469.445454	1544.898498	1143.309258	1080.698041	1177.980967	3256.82031	1179.025133	5461.937204	4065.99874	1335.612795	1740.318005	2575.523318	2476.946927	3062.666072	1072.322191	1575.052155	1544.761929	1124.048424	2151.728489
9.73_213.0661m/z	213.0661371	9.730366667	neg	Nitrosobenzene	44790	Unclassified	Unclassified	Unclassified			38.6	0	2M-H	C6H5NO	-3.802764131	681.3258172	934.7559588	542.4741586	569.8060948	639.8646623	735.9805298	658.3805222	680.7958378	596.3531634	721.9194949	664.6699914	489.2040657	922.6535934	936.254754	709.1262829	646.1074156	725.4206278	656.8687975	765.6808197
9.75_356.2613m/z	356.2612571	9.750733333	pos	DHA (d5)	45773	Unclassified	Unclassified	Unclassified			38.6	0	M+Na	C22H27D5O2	1.267526836	3906.861463	5034.273624	4511.702901	3275.260236	2285.610865	2738.57396	4122.899337	13404.4063	6824.588026	1739.525021	4584.350978	5942.26311	3664.217383	3568.070803	4222.935807	4508.570676	4582.02596	6302.047769	3601.52594
9.86_290.2085m/z	290.2085156	9.8569	pos	Allopumiliotoxin 267A	73519	Unclassified	Unclassified	Unclassified			38.6	0	M+Na	C16H29NO2	-1.999258085	4860.671942	4887.60347	5318.576867	4919.632051	5185.796409	4814.56731	5202.751929	5075.466956	5012.112885	4770.783984	5211.962771	5093.418781	4743.970834	5384.280289	5243.125194	5862.981017	5569.774823	5190.166081	5479.93992
0.07_329.2696m/z	329.2695846	0.0736	neg	neostearic acid	4620	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.5	0	M+FA-H	C18H36O2	-0.52281861	4695.397989	5725.093784	5561.038471	5965.771135	6138.604702	6033.261583	6368.465725	5663.869549	5963.222501	5864.564908	5887.488538	5336.012825	5821.961312	6330.494536	5835.661987	5410.184023	4976.92374	5079.310291	5607.423121
0.10_103.0505m/z	103.0504584	0.10495	pos	Cycloserine	1918	Organoheterocyclic compounds	Azolines	Isoxazolines	**	C08057	38.5	0	M+H	C3H6N2O2	2.494029763	442.3094053	739.0582283	742.5279527	800.7737778	290.019674	639.1176742	679.4102285	779.9648996	594.5662789	671.5387281	540.9397768	643.9858382	589.4620318	629.3406524	798.0263326	741.0464061	620.7681169	816.978841	601.5523979
0.10_211.0752m/z	211.0751638	0.10495	pos	Resveratrol	HMDB0003747	Phenylpropanoids and polyketides	Stilbenes	Unclassified	***	C03582	38.5	0	M+H-H2O	C14H12O3	-0.842460179	8402.962886	7622.679522	8201.390459	8659.42911	7516.691674	8962.20484	8243.679125	8230.454637	8325.631588	9158.578485	9262.146099	7097.702696	7993.82361	7948.435855	8855.545013	8893.346572	8942.445886	9136.642825	7964.734528
0.14_196.1461n	197.1533945	0.140683333	pos	Methyl 2-undecynoate	HMDB0030945	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.5	0	"M+H-H2O, M+H"	C12H20O2	-1.272269441	69684.61189	71326.94222	71207.95602	70859.41526	66464.38497	71582.83621	71154.64504	72185.04136	69133.27398	73870.13851	71150.15446	72674.44686	72191.92711	68165.23012	74241.63908	74441.73016	68450.90197	76397.26426	68685.49733
0.23_165.1636m/z	165.1636436	0.231516667	pos	"2-Ethyl-1,3,3-trimethyl-2-norbornanol"	HMDB0032279	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.5	0	M+H-H2O	C12H22O	-0.73280953	11607.08115	10238.73648	10406.36167	10606.30021	10078.50161	11126.07778	10678.47126	12084.74903	10986.75065	11483.02823	11482.70156	9866.277106	11029.11294	10970.51082	11802.29902	10818.21319	10401.4769	12112.07662	10853.172
0.29_149.1323m/z	149.1323376	0.291416667	pos	Pentylbenzene	HMDB0059834	Benzenoids	Benzene and substituted derivatives	Unclassified	***		38.5	0	M+H	C11H16	-0.940474068	16626.91606	15929.43676	16675.40927	15601.32271	14068.00316	16115.16774	15375.96801	16329.09799	16745.06901	16118.31494	15646.75994	15834.65989	15629.65627	15481.52775	16622.95511	16180.07637	14917.89781	17814.86179	15644.38976
0.31_201.1846m/z	201.1846159	0.30925	pos	Ethyl decanoate	87339	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.5	0	M+H	C12H24O2	-1.451244253	4020.223219	2609.240367	2879.25589	2906.236725	2636.411691	3316.006167	2863.737956	2719.122559	2970.452757	2826.665058	2869.261958	2928.35042	2933.032529	2907.51162	2787.902861	2845.078483	3043.565397	3081.764152	2903.16581
0.33_159.0650m/z	159.0650237	0.32715	pos	3-Isopropylmalic acid	340	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C04411	38.5	0	M+H-H2O	C7H12O5	-0.917609969	13185.98009	11154.70195	11564.73092	12613.74004	11298.46732	12067.8692	13103.16749	12590.13864	11295.77313	12376.11895	12971.35834	12009.12482	11451.26389	11957.61983	12109.3427	12211.75182	11484.2366	11904.21534	11625.41807
0.33_163.0751m/z	163.0751366	0.32715	pos	Propyl 2-furanacrylate	HMDB0037733	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.5	0	M+H-H2O	C10H12O3	-1.218266013	37095.43733	33593.15398	33743.38472	34318.16447	32603.44701	36044.51143	35469.09093	36278.38158	35149.8271	36267.89798	36947.25292	33294.09153	35238.27581	33507.10078	35723.60939	34958.82356	32849.9951	35881.05799	33993.51886
0.38_180.1511n	181.1584382	0.3825	pos	Tricycloekasantalol	HMDB0039339	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.5	0	"M+H-H2O, M+H"	C12H20O	-1.531765235	59542.54818	61479.49599	58692.56351	59099.22995	57528.82215	59727.03061	60838.1963	62238.50644	59027.34177	61300.99505	60751.01137	61526.87404	62220.19141	57079.49854	62386.89664	64426.37635	56937.58571	60225.59714	56676.95831
0.44_161.1323m/z	161.1322813	0.439416667	pos	"2,5-Diisopropylphenol"	88540	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.5	0	M+H-H2O	C12H18O	-1.098513125	5400.778252	4798.008566	5058.981	5093.05937	4628.794477	4701.984323	5003.772588	4983.530358	4996.020084	4946.172537	5068.192513	5050.594013	4601.460819	4431.496258	4829.911545	4810.758095	4599.47251	5132.693399	4996.326582
0.50_138.0306m/z	138.030593	0.499683333	neg	5-Hydroxypyrazinamide	6413	Organoheterocyclic compounds	Diazines	Pyrazines		C01956	38.5	0	M-H	C5H5N3O2	-2.207543176	2388.701317	2345.970635	2422.743067	2387.230502	2408.16466	2192.998636	2432.590983	2400.173532	2427.242751	2666.832695	2321.347616	2355.464344	2173.334696	2237.885726	2297.7509	2318.911984	2136.236574	2482.010539	2112.487089
0.52_108.0201m/z	108.0201008	0.52135	neg	5-Amino-4-imidazole carboxylate	63404	Unclassified	Unclassified	Unclassified			38.5	0	M-H2O-H	C4H5N3O2	-1.845745929	31990.98322	23934.92656	27692.69443	26918.82824	27125.95934	24198.13869	26978.316	25576.47659	24504.54481	25954.98433	23780.94892	32727.82326	54451.43794	42902.04624	45924.535	33368.61919	29040.79826	29329.62676	26596.91018
0.52_223.0275m/z	223.0275031	0.52135	neg	"3,3'-Thiobispropanoic acid"	HMDB0031162	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives			38.5	0	M+FA-H	C6H10O4S	-3.817114982	10947.05053	9724.167429	10061.54868	9218.964169	9485.779156	8682.108397	9350.015452	9275.96413	9067.257234	10406.31137	9446.789256	9368.825495	10851.66078	10687.90045	10327.18449	9701.710918	9156.977375	9806.717935	9364.555681
0.53_269.2838m/z	269.2837891	0.533033333	pos	Stearaldehyde	LMFA06000098	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*	C01838	38.5	0	M+H	C18H36O	-0.384151746	1408.088416	1907.454933	2014.98771	2174.469919	1882.036646	1988.197765	2289.217539	1383.785158	2330.06296	2577.520661	1657.48519	1170.819674	2059.316608	1402.587702	1279.600804	2666.649808	1847.285752	1499.444521	2137.219095
0.58_273.1934m/z	273.1933873	0.582133333	neg	Lysyl-Lysine	HMDB0028956	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.5	0	M-H	C12H26N4O3	0.630958088	928.4795521	1078.082492	917.4561043	757.2729488	1724.006013	1188.754914	719.3956624	2265.704174	1800.208754	722.1777796	674.2485427	1677.037061	743.1486429	768.803999	791.5533526	778.3904822	902.3670791	891.392732	749.7994936
0.61_261.1556m/z	261.1556133	0.60835	pos	Gamma-glutamyl-Proline	86049	Unclassified	Unclassified	Unclassified			38.5	0	M+NH4	C10H17N3O4	-0.486434271	5127.55118	6318.379416	5074.770533	3802.247867	11978.50706	5548.660127	4725.630947	2558.20668	2655.04142	10376.43793	5362.767941	1966.944988	5325.876418	7961.939012	6890.902548	3001.76332	6836.12171	2470.553237	5511.461714
0.62_561.1282m/z	561.1281666	0.623133333	neg	7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one	70542	Unclassified	Unclassified	Unclassified			38.5	0	2M-H	C16H11NO4	-3.864995363	2784.992779	3060.644779	2097.932495	3767.197548	2587.887766	2806.607872	3457.921506	1536.660083	2219.925432	2577.988421	2233.775742	1994.723493	3140.935964	2637.534928	3996.235416	3853.662319	2087.338043	3781.690126	4606.224556
0.63_227.1140m/z	227.1139801	0.62635	pos	4-Acetamido-2-amino-6-nitrotoluene	71196	Benzenoids	Benzene and substituted derivatives	Anilides		C16420	38.5	0	M+NH4	C9H11N3O3	0.54220511	13363.30574	14114.68906	12150.46265	10431.36585	12770.06556	11218.53313	17903.62493	9147.950193	11522.26311	14022.96155	14362.78002	9520.710685	18160.98322	17418.22434	19101.10047	13188.52802	12661.67266	10171.78471	15657.83287
0.66_158.0924m/z	158.0924181	0.660716667	pos	Imidazolepropionic acid	HMDB0002271	Organoheterocyclic compounds	Azoles	Imidazoles	**	C20522	38.5	0	M+NH4	C6H8N2O2	0.107266906	2452.733765	3394.918828	4380.89978	3651.597694	3315.169139	3426.22535	4039.493405	2383.628853	2548.344553	3571.558749	3504.635873	1673.340735	5066.736314	3169.179802	2899.979539	4155.006938	4027.659851	3138.36425	4826.567252
0.70_307.0726m/z	307.0725633	0.695333333	neg	Diethylphosphate	HMDB0012209	Organic acids and derivatives	Organic phosphoric acids and derivatives	Phosphate esters		C06608	38.5	0	2M-H	C4H11O4P	2.755267247	32186.69227	35003.38198	34945.77454	32812.26238	41410.59045	28217.5408	52456.58398	38583.99223	37180.15151	35421.13625	44502.90401	48129.51313	31523.35166	30791.13139	32968.35943	31470.86737	36523.89802	18987.75801	34335.78004
0.71_233.0773m/z	233.0772806	0.712816667	neg	2S-amino-3-oxo-butanoic acid	LMFA01060172	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates	**	C03508	38.5	0	2M-H	C4H7NO3	-2.687645372	16730.9101	19334.8974	19145.62474	12342.61749	27656.64972	12324.12694	26027.47477	12580.09016	10601.49521	29039.21128	19215.3547	11562.64419	17950.28296	22725.60681	22630.5908	20635.2008	23477.23847	14128.07639	18702.03677
0.73_263.1459m/z	263.145862	0.729216667	pos	Streptidine	65537	Unclassified	Unclassified	Unclassified			38.5	0.799	M+H	C8H18N6O4	-1.402026319	26886.41054	19990.02997	27866.94739	26558.24648	16023.13984	18765.79011	25455.92973	51650.86806	55884.7388	19744.98713	23484.59832	41487.5858	24916.96952	26986.10063	12210.45466	18531.20029	30352.47459	24135.28313	29658.46075
0.73_307.0436m/z	307.0436117	0.7299	neg	Mannitol 1-phosphate	HMDB0001530	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00644	38.5	0	M+FA-H	C6H15O9P	0.15316272	33770.02169	30761.23205	34740.66238	38412.60316	41852.54456	39488.05175	32778.7296	31469.35195	31716.65572	37058.13057	35587.27981	34657.68392	35289.36926	41571.34947	32804.51736	41191.00504	28276.75107	40898.73055	32737.24837
0.73_367.0676m/z	367.0675735	0.7299	neg	"3,4-Dihydroxymandelic acid"	HMDB0001866	Benzenoids	Phenols	Benzenediols	**	C05580	38.5	0	2M-H	C8H8O5	1.367126483	48298.84255	48930.78857	47936.3434	65294.79269	81101.122	45181.60658	50634.52202	31593.91822	24567.79079	57438.16395	53869.53724	35280.40555	53491.02335	42759.69578	50906.91056	63393.5675	37964.74573	54266.66391	34748.06667
0.75_143.0581n	144.0653772	0.7465	pos	N-Acrylylglycine methyl ester	5743	Unclassified	Unclassified	Unclassified			38.5	0	"M+H, M+NH4"	C6H9NO3	-0.995151992	25672.58901	25914.28676	24903.77436	27216.2875	24343.67235	21725.70197	27681.11525	20276.2957	22268.97627	26469.16469	26716.16535	26295.57234	29341.12322	26403.48854	28863.31696	22664.40575	28213.59555	25077.23911	27549.86657
0.75_185.0211m/z	185.0210819	0.746966667	neg	5-Hydroxypyrazinoic acid	2198	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C5H4N2O3	4.906929935	157141.4901	151333.5197	163833.0898	168777.5974	147239.9395	184376.5066	192408.7104	161048.8677	138535.6927	184061.3742	137459.1028	106363.784	183175.4918	168762.1685	182404.4817	170286.1841	173163.6205	184483.142	148261.1416
0.75_235.0624m/z	235.0623887	0.746966667	neg	"3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxypropanal"	HMDB0128666	Organoheterocyclic compounds	Benzodioxoles	Unclassified			38.5	0	M-H2O-H	C12H14O6	4.689950658	11860.73203	12295.8561	12337.8843	10680.37021	13842.32186	11182.9123	15394.62129	15741.03921	13831.55576	14821.49632	12566.1789	14775.89127	10220.51616	14045.1345	10512.9547	15065.702	9870.111791	12584.28124	9975.186883
0.76_175.1076m/z	175.1075673	0.764	pos	2-Ethyl-2-methyl-3-hydroxysuccinimide	2596	Unclassified	Unclassified	Unclassified			38.5	0	M+NH4	C7H11NO3	-0.964247523	15557.46413	17286.10932	14336.98223	7828.177193	17074.57323	33391.04165	12770.23729	8305.719015	10756.88309	41409.19922	8829.520169	8702.756568	16661.14969	13450.63544	14846.78929	13511.99085	17229.11054	11374.43226	10713.75217
0.76_290.0883m/z	290.0882511	0.764266667	neg	Sarmentosin epoxide	66920	Unclassified	Unclassified	Unclassified			38.5	0	M-H	C11H17NO8	0.381444464	14676.73391	13316.36077	14766.80428	17557.17292	12734.73078	24069.5205	8498.172196	17157.01343	19033.97922	16600.88227	13782.79194	34487.56363	13328.5855	10608.73164	12099.03714	11123.83531	10925.46449	11726.64696	11252.07598
0.76_353.1027m/z	353.1026861	0.764266667	neg	"HAEMATOXYLONE, TETRAMETHYL-"	43620	Unclassified	Unclassified	Unclassified			38.5	0	M-H2O-H	C20H20O7	-1.009836874	3768.592867	3309.305272	2702.254379	3269.567374	4573.151533	3659.217233	4199.392278	2298.646551	3155.683613	5549.861904	2802.137266	3092.579718	3870.545568	3930.078637	3721.544568	3427.476855	3453.839891	3877.929004	5649.19651
0.76_388.1162n	369.0983312	0.764266667	neg	"5-Hydroxy-7,2',3',4',5'-pentamethoxyflavone"	LMPK12110945	Unclassified	Unclassified	Unclassified			38.5	0	"M-H2O-H, M-H"	C20H20O8	0.914068871	22147.6582	22442.10623	21793.89929	21105.08065	25099.14749	32359.43535	18413.61828	22988.04838	20502.81331	27148.65276	19623.95792	18719.66189	27844.07497	20572.55982	21093.39686	22561.56171	19835.47542	25825.13734	24007.87817
0.76_515.1189m/z	515.1189361	0.764266667	neg	2-Amino-3-hydroxy-5-nitrobenzophenone	1572	Unclassified	Unclassified	Unclassified			38.5	0	2M-H	C13H10N2O4	-3.683450742	2120.321236	2096.291056	2737.01509	2877.062761	886.397667	2340.705738	1925.057322	2697.461422	2744.202196	1382.345564	2106.877036	2069.234145	2722.872827	2709.747321	2816.780685	1728.005929	2810.405606	3704.318567	4896.501673
0.78_204.1233m/z	204.1233149	0.781716667	neg	Pantothenol	HMDB0004231	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	**	C05944	38.5	1.18	M-H	C9H19NO4	-3.981787951	2434.254712	2818.178203	3035.817689	3147.458526	3581.679792	3331.319508	3339.696755	3482.894036	3626.06671	3211.962233	3130.338454	1427.003313	2543.66834	1916.494939	3286.936018	3257.944486	3277.8454	4104.920903	2183.515719
0.80_146.0923m/z	146.0922833	0.798133333	pos	4-amino-4-cyano-butanoic acid	35947	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates	**	C05715	38.5	0	M+NH4	C5H8N2O2	-0.935073033	4045.89749	4043.739172	4354.244068	4807.678096	3033.706294	5744.833733	2654.954973	6177.314705	6311.436163	8509.761629	3171.147163	6792.216079	2747.329907	3372.639651	3614.84471	2697.336872	4697.631391	2859.284456	3863.785427
0.82_396.2375m/z	396.2375081	0.816033333	pos	Eremopetasitenin C1	HMDB0032770	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		38.5	4.07	M+NH4	C21H30O6	-1.470387429	45793.23874	43117.23968	42347.22104	45311.28195	42608.3639	49855.36869	45327.56231	39263.2171	30373.76969	45926.27063	40654.60625	36434.34262	44969.26718	44203.24332	42440.74305	35928.27884	45114.32412	46970.42128	46429.07533
0.83_115.0504m/z	115.0503813	0.833416667	pos	"2,5-Dioxopiperazine"	65826	Unclassified	Unclassified	Unclassified			38.5	0	M+H	C4H6N2O2	1.555870611	15963.41278	17844.18323	17569.61269	13736.27988	25444.72828	26750.44266	20274.5889	5663.188274	6426.572961	29033.40614	14479.95467	5926.202835	14966.1734	14944.1947	17396.85629	13401.76829	21040.3094	15248.39572	17860.49172
0.85_344.1336m/z	344.1335891	0.850933333	pos	Bilobalide	73567	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*	C07605	38.5	0	M+NH4	C15H18O8	-1.23878213	11133.72689	10226.68764	11573.02777	11932.08868	8794.273388	7735.763771	10092.65363	14344.73108	10604.9075	8586.600461	11711.27397	17858.9519	9234.142072	9379.26214	9527.571096	10974.22319	9162.035279	11066.17032	11364.01957
0.90_264.0737m/z	264.0736678	0.898616667	neg	8-hydroxy-2'-deoxy Guanosine	44821	Unclassified	Unclassified	Unclassified			38.5	0	M-H2O-H	C10H13N5O5	-0.563770384	4039.254749	3725.275684	3915.012661	3660.191051	3536.650468	4593.099219	2076.634773	3299.541142	3494.578757	4685.271276	3123.513723	5234.522149	3599.954187	3296.862986	3269.47801	2571.827011	3015.985103	2997.340167	4951.613465
0.93_131.0532m/z	131.0532439	0.929766667	pos	Ethyl 3-mercaptobutyrate	88317	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.5	0	M+H-H2O	C6H12O2S	4.940732983	11378.4127	11523.39842	11179.81647	10914.02241	11177.7052	13133.88949	9362.159146	9792.458864	10345.02313	13193.0601	8438.881679	15593.73685	11059.99572	11436.27453	11732.7818	10187.51847	10348.91385	9520.477937	11802.98423
0.94_443.1047m/z	443.104737	0.937716667	neg	"6-({2-[(acetyloxy)methyl]-3,5,6-trihydroxyoxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0125229	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.5	0	M+FA-H	C14H22O13	1.239380347	1932.628017	2779.302482	2415.18837	2720.739885	2006.301628	3381.995725	1993.394691	2019.966995	1925.453196	2874.524625	1963.041811	2515.125987	2369.189211	1906.466061	2133.761005	2195.601784	2452.625917	2023.78621	2865.059277
0.96_260.9935m/z	260.9935224	0.958133333	neg	(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate	53272	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids	**	C11811	38.5	0	M-H	C5H12O8P2	0.222424165	2914.162537	3142.143825	2860.429807	2598.473154	2835.702286	3132.62171	3436.351445	2469.137413	2100.463811	2889.007078	2774.3784	2300.410322	2666.082988	2482.030761	2634.288049	2860.913779	2979.256456	2286.16085	3012.961696
1.05_100.0218m/z	100.0218063	1.0453	pos	Homocysteine thiolactone	6594	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.5	0	M+H-H2O	C4H7NOS	2.219106743	888.7042126	1271.681376	1497.996666	1221.03913	743.8542815	1555.759028	933.5587863	722.8848242	735.8275115	1010.342307	1963.825961	943.0089459	1479.951004	1666.869304	2480.832935	1498.92189	1516.014818	1149.62895	1934.024098
1.05_146.0269m/z	146.0269022	1.0453	pos	Tiopronin	69503	Unclassified	Unclassified	Unclassified			38.5	0	M+H-H2O	C5H9NO3S	-0.758915288	20164.77826	21088.15453	23397.77659	19026.33062	14544.72106	23732.75617	19568.77094	13525.10029	14526.43099	17498.41933	30202.45039	14085.59017	22690.08884	25267.42616	31199.13208	26619.45352	22046.51309	17508.0723	24951.65988
1.05_205.1003m/z	205.100347	1.0453	pos	N-butyryl-L-Homocysteine thiolactone	45311	Unclassified	Unclassified	Unclassified			38.5	0	M+NH4	C8H13NO2S	-0.952485745	1109420.122	1275755.515	1324890.968	1180168.623	904561.7586	1377158.712	1090182.627	787675.7683	850505.2623	1000308.346	1753896.488	871685.4193	1358362.66	1496439.355	1818925.56	1598633.52	1255513.031	1083152.249	1586383.403
1.06_288.0954n	333.0938156	1.063433333	neg	Iprobenfos	HMDB0031768	Benzenoids	Benzene and substituted derivatives	Unclassified		C15230	38.5	0.426	"M-H, M+FA-H"	C13H21O3PS	1.899115844	1735828.239	1897168.645	1810858.147	1831350.415	1842854.323	1751482.311	2232371.677	2017809.611	2617867.963	1800048.209	1918695.933	1716807.485	1628229.032	1704911.081	1739946.365	1652683.031	1581972.726	1612843.334	1825585.642
1.08_306.0577m/z	306.0577203	1.081483333	neg	Aminoparathion	HMDB0001504	Organic acids and derivatives	Organic thiophosphoric acids and derivatives	Thiophosphoric acid esters		C06605	38.5	1.28	M+FA-H	C10H16NO3PS	2.552592814	508533.5493	566939.0353	518577.7446	506011.0438	523087.267	564536.2933	619709.6383	559899.5055	671633.0711	534944.3388	528440.5749	581229.1498	498825.5612	504050.4156	475997.0072	521957.1858	498203.8216	521964.7432	537346.4639
1.14_247.1110m/z	247.110983	1.13905	pos	N-(3-oxo-hexanoyl)-homoserine thiolactone	LMFA08020240	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			38.5	0	M+NH4	C10H15NO3S	-0.466368837	5024.757161	5144.026533	4776.242401	9388.122852	2194.046396	4278.150097	1013.863759	3467.249205	3918.409262	1143.001291	3211.830205	6616.203632	2818.421824	2816.108041	6323.282934	5549.71619	3607.554236	11852.56627	11807.30443
1.18_121.0510m/z	121.0509505	1.179566667	pos	Purine	HMDB0001366	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	*	C15587	38.5	0	M+H	C5H4N4	0.649076871	2604.801379	2845.113576	2628.03949	2355.228522	2973.014963	2614.538807	1663.527284	1372.603683	1932.728369	2670.504528	2097.036038	2836.974499	3748.454272	3718.80066	4036.215022	3215.898429	2895.009544	2786.279697	2897.066952
1.18_256.0332m/z	256.0331793	1.1797	neg	Phosphocreatine	326	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C02305	38.5	0	M+FA-H	C4H10N3O5P	-3.935953063	2309.577185	2704.560629	2942.724718	2538.442079	2456.516061	2393.948779	2490.91846	2679.895461	1978.04312	2872.380625	3301.683796	2332.862123	2676.68193	2695.470103	2541.949331	2431.9825	2911.402906	3090.393257	3159.293951
1.28_357.0686m/z	357.0685695	1.278416667	neg	5-FLUOROINDOLE-2-CARBOXYLIC ACID	44300	Unclassified	Unclassified	Unclassified			38.5	0	2M-H	C9H6FNO2	-1.863871202	7392.28927	7469.40211	7987.206528	8197.705504	9374.73401	9492.235776	10000.47695	5783.774052	5719.289087	8830.307212	8646.408013	4161.612919	9611.530055	7943.732283	7640.56465	7330.881481	7394.376869	7453.457564	9393.975549
1.30_351.1512m/z	351.1511631	1.297066667	neg	Glycyl-Threonine	HMDB0028851	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.5	1.61	2M-H	C6H12N2O4	-2.766274387	33176.74449	25944.58413	22654.04722	27476.99127	24544.47845	20217.96391	23991.01488	26439.1686	16001.6719	19145.80371	32621.17031	27957.30834	24304.48383	24222.95016	23765.32503	28796.61884	25061.72974	31375.11356	24097.20952
1.44_201.0872m/z	201.0871586	1.44135	neg	1-Aminocyclopropanecarboxylic acid	HMDB0036458	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C01234	38.5	0	2M-H	C4H7NO2	-4.561893266	309.8364248	269.0710992	320.5775261	159.5671099	294.8695105	320.8749959	216.8887292	1276.390177	831.8005967	207.5716507	169.2484827	478.9486897	124.1293987	129.9035173	139.4990659	156.57539	138.7800882	188.029905	211.7256563
1.46_120.1021m/z	120.1020678	1.457516667	pos	Valeric acid	110	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C00803	38.5	0	M+NH4	C5H10O2	1.594289968	6145.614947	6517.946567	5999.770844	8827.14205	3308.773937	5268.001055	2652.905239	4962.589119	4115.437686	2675.008447	6262.604525	10997.50642	4626.158991	4467.355555	8139.941893	7555.090684	4950.056452	10977.73319	9188.724944
1.70_381.0453m/z	381.0452549	1.696866667	neg	Dantrolene sodium anhydrous	66769	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C14H9N4NaO5	-0.034701777	840.5227856	981.4023854	954.6450813	765.2139481	1240.771009	1172.632393	665.7185428	1157.509394	571.7024855	1092.57424	588.9051788	1108.885232	1106.77651	778.3331905	1327.349256	1065.174111	1020.813374	976.9399411	1112.705738
1.73_245.0782m/z	245.0782325	1.728933333	pos	"3,4,5-TRIMETHOXYCINNAMALDEHYDE"	44543	Unclassified	Unclassified	Unclassified			38.5	0	M+Na	C12H14O4	-0.887498285	4679.85582	4319.212352	4586.124098	4488.583053	4691.859909	4294.545979	4142.965377	3496.754173	4464.50765	4706.129149	4617.798808	4393.364003	4189.231558	3934.532603	4490.122075	4551.815775	3703.801175	4530.019216	4048.894926
1.92_152.0567m/z	152.0566728	1.924716667	pos	2-Hydroxyadenine	5392	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.5	0	M+H	C5H5N5O	-0.088848586	490.5952475	482.3106094	406.4946977	496.7626307	379.0226832	371.6889248	336.3967683	368.4121411	450.1065637	181.0063663	368.1810977	912.7476104	568.6393914	498.0093264	708.4144585	454.0179368	435.6727802	541.0101598	500.1265438
1.92_215.1388m/z	215.1387971	1.924716667	pos	ETHYLNOREPINEPHRINE	44403	Unclassified	Unclassified	Unclassified			38.5	0	M+NH4	C10H15NO3	-1.125376247	11072.14201	11133.76948	10714.10973	9056.310996	14081.95209	13982.46623	10896.47684	9690.640279	5729.246674	17679.30001	9754.745095	6398.742419	10152.02165	10525.94794	11737.21135	11581.11449	11617.74238	10192.3429	11947.82169
1.99_207.0767m/z	207.0767463	1.9918	neg	1-Ethyl-2-benzimidazolinone	69727	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C9H10N2O	-4.747580241	182.4741962	173.8253408	134.933336	73.47874538	170.7804424	66.22476897	75.58564575	333.6459442	250.2771311	139.2457408	125.6237604	741.6075176	52.75355163	27.61457139	182.8888374	70.74774162	108.4251604	83.85018982	153.6517578
10.05_298.1411n	281.1377873	10.04785	pos	Sesamex	72887	Unclassified	Unclassified	Unclassified			38.5	0	"M+H-H2O, M+H"	C15H22O6	-1.887960387	10150.89832	9093.649133	8952.051789	6334.399951	8398.425062	6628.368168	5337.45077	6584.962093	6398.945654	6067.191047	5589.21725	7352.377306	6814.075405	5435.663688	6800.634958	5408.075274	5854.754152	8593.64793	5912.00473
10.11_452.3127m/z	452.3126607	10.11088333	pos	1-(2-methoxy-13-methyl-pentadecanyl)-sn-glycero-3-phosphoethanolamine	LMGP02060015	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			38.5	0	M+H-H2O	C22H48NO7P	-1.897644877	5526.689546	6309.733228	4846.168862	8002.03341	6431.82721	7329.896099	8280.510316	4557.19368	4948.778941	8623.288471	8364.490382	5015.031457	7079.903781	7508.08175	7654.289121	7048.208941	6885.347981	6406.307707	6931.609686
10.25_540.3305m/z	540.330505	10.25406667	neg	PC(16:0/0:0)[S]	40285	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C24H50NO7P	-0.378446568	1677.448142	2679.159564	2354.85865	1376.158314	2682.641213	2105.272606	2470.996006	2633.647143	1995.987218	2309.231103	2667.932741	1917.305226	1557.802447	2638.850335	2509.665723	2434.821992	1920.116736	2209.903793	2541.171195
10.36_1051.5759m/z	1051.57593	10.36063333	pos	PIM1(17:0/18:1(9Z))	LMGP15010013	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositolglycans			38.5	0	M+K	C50H93O18P	2.784006097	3840.185661	3325.739083	3070.350033	5896.972771	8712.992268	5676.204355	5015.830344	608.8138093	1027.750815	7903.659057	4964.68688	2245.08701	11953.24643	5737.769232	7843.901391	8863.810186	5281.071658	10632.41907	9501.835663
10.36_225.1481m/z	225.1481384	10.36063333	pos	Furfuryl octanoate	92553	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.5	0	M+H	C13H20O3	-1.706795409	2740.346699	1949.54205	1932.408999	2217.767792	2037.540601	2644.628786	2578.832464	2063.205239	1969.398579	2522.307455	2017.361496	1973.862508	2083.276735	1912.236088	2422.735738	2178.145339	2262.224506	2435.043603	2030.149166
10.53_297.1461m/z	297.1460898	10.52578333	pos	"2-Polyprenyl-6-methoxy-1,4-benzoquinone"	HMDB0060354	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	**	C17560	38.5	5.5	M+Na	C17H22O3	-0.092858866	12461.14538	10596.22703	12652.21177	13764.5235	12858.01505	14177.12359	11921.58626	14376.89447	16723.61673	13204.77276	10933.31671	14310.31347	12094.26412	11624.49672	14106.47502	13005.38169	15359.71719	14560.88669	12266.40042
10.67_452.3727m/z	452.3727106	10.67348333	pos	"3a,7a,12a-Trihydroxy-5b-cholestan-26-al"	HMDB0003533	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	**	C01301	38.5	0	M+NH4	C27H46O4	-1.668820851	38316.78155	37249.36124	39071.74073	41018.74618	28182.39052	28775.286	50624.91792	69468.9972	66201.8272	19065.88543	35306.02965	80992.26403	39757.47391	35970.16578	37055.98266	36325.18082	32923.10399	33565.98104	25512.65427
10.67_503.2756m/z	503.2756087	10.67348333	pos	PA(10:0/10:0)[U]	40925	Unclassified	Unclassified	Unclassified			38.5	0	M+Na	C23H45O8P	2.463048301	2883.954569	1843.527238	1989.970411	3969.675007	2629.255978	1878.139607	3345.791466	763.9154791	1812.795462	1149.199094	1893.944482	1516.509338	5582.47243	4535.492571	3539.019195	2113.283004	2442.798148	2114.541806	2563.562297
10.74_221.1539m/z	221.1539303	10.74271667	neg	"(6E,8E)-4,6,8-Megastigmatriene"	90507	Hydrocarbons	Unsaturated hydrocarbons	Branched unsaturated hydrocarbons			38.5	0	M+FA-H	C13H20	-4.389069688	7265.841801	7223.057453	7453.283199	7854.110007	7984.136838	7917.509449	8273.022184	8954.293097	8766.526324	8823.587248	8699.931601	7824.690667	7735.847121	7731.307558	8230.375394	8355.781109	7526.95246	8342.198608	7519.704933
10.74_687.5370m/z	687.5369865	10.74271667	neg	1α-Hydroxy-2-methylene-19-nor-(20S)-bishomopregnacalciferol	42576	Unclassified	Unclassified	Unclassified			38.5	0	2M-H	C23H36O2	1.745946872	65039.53106	66487.21379	71489.39282	73072.17909	70905.19797	74927.1921	89647.01577	82844.29442	81421.18363	73401.26606	82558.09155	183.1222426	99331.48924	97405.1975	97133.17236	83308.81575	75055.12187	62608.06202	66679.57869
10.91_305.2121m/z	305.2120783	10.9122	neg	6-[1]-ladderane hexanol	LMFA01140088	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.5	0	M+FA-H	C18H28O	-0.538240224	393.3377296	519.3347731	482.5016114	548.5017626	185.3331759	257.5567163	210.5051163	654.1150147	304.1811198	0.000297236	581.88489	1262.658663	296.8556179	224.8916502	515.3625627	332.1627947	182.0449358	886.8086373	777.5725132
10.95_419.1528m/z	419.1528075	10.9545	neg	"3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione"	70489	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C21H26O4S	-1.53862987	1553.887423	1426.311247	1665.425274	791.8188195	887.1082718	2380.866694	923.5150152	2307.358681	318.3102362	951.6308828	837.0329619	3615.959869	504.4253319	406.7329093	1399.399188	1997.121285	1683.995826	2838.349096	2308.277945
11.15_661.0879m/z	661.0878528	11.14685	neg	"N-(2,4-Dinitrophenyl)-DL-methionine sulfoxide"	24044	Unclassified	Unclassified	Unclassified			38.5	0	2M-H	C11H13N3O7S	0.434474268	7423.072087	4883.057724	5308.347515	5575.017754	4617.767019	5537.179723	6033.999976	5011.400794	5455.104697	5700.392402	5150.65657	5428.050402	5427.125234	6055.787543	4933.115966	6242.181318	5809.372701	6001.415271	6106.349213
11.23_209.0692m/z	209.0691898	11.23123333	pos	Deoxyvasicinone	68472	Unclassified	Unclassified	Unclassified			38.5	0	M+Na	C11H10N2O	3.526288767	3506.254043	2735.745822	4075.313409	3809.681361	3728.12617	3909.154123	4311.778466	4703.255761	4610.20976	3764.393736	3900.003463	3423.248608	2949.195876	2630.196757	4018.613662	4070.927108	3869.535449	4372.43682	3876.22882
11.36_250.1444m/z	250.1444372	11.35938333	neg	Tetranor-5-NO2-CLA	LMFA01120010	Lipids and lipid-like molecules	Fatty Acyls	Unclassified			38.5	3.3	M-H2O-H	C14H23NO4	-1.597358602	27865.64069	25865.69278	28387.19754	27881.33666	27857.50628	26740.3068	29071.17983	28033.9898	30038.80187	28076.3182	29543.31909	29739.97298	27799.08038	29559.20503	28859.14651	30302.95747	28595.9775	29929.56555	27278.52147
11.36_311.2014m/z	311.2014337	11.35938333	neg	Deoxycorticosterone	5089	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	**	C03205	38.5	0	M-H2O-H	C21H30O3	-0.666273477	3516.182489	3089.295281	3086.735246	3197.85691	3023.798143	3207.285051	3696.938725	3256.129387	3085.570511	2851.330648	3498.38396	3264.343351	3649.295017	3984.623123	4285.605631	3462.573449	3527.891884	3235.209081	3462.482574
11.47_293.1757m/z	293.1756921	11.46591667	neg	Furanofukinin	HMDB0036640	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		38.5	0	M+FA-H	C16H24O2	-0.567119982	1175.816221	992.6349488	1002.459462	882.6015113	1021.451179	1000.40891	976.6985683	1056.644519	915.2196923	1144.297597	859.1882488	902.5547871	583.5132611	798.9763985	751.1401009	935.6132321	935.5313749	1020.733794	959.066002
11.51_356.1865m/z	356.1864793	11.50813333	neg	Dinorpropoxyphene	2165	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C20H25NO2	-0.811866472	3403.958633	2173.667302	2708.467255	2772.061415	2677.94846	2852.427981	2815.912067	2922.642861	2792.684816	2637.629086	2562.169502	3177.475748	3244.252876	2932.64935	3712.759205	2945.159735	2796.899749	2726.991518	2677.858759
11.70_321.2432m/z	321.2431859	11.69991667	neg	7beta-Hydroxysteroid	65873	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C19H32O	-1.204228798	2474.20087	2307.63264	2757.133277	2466.9707	2615.980223	3639.756973	2064.825392	2622.982103	2903.456021	2630.61278	2293.413647	2598.079475	3225.948179	3119.39213	1728.405066	2443.441256	2145.582882	2370.209111	2635.202694
11.79_402.2247n	425.2137529	11.78948333	pos	Acetyl tributyl citrate	89746	Organic acids and derivatives	Carboxylic acids and derivatives	Tetracarboxylic acids and derivatives			38.5	0	"M+H, M+Na"	C20H34O8	-1.684000591	20679.61596	11707.75034	18824.6603	46629.65673	24563.29541	20134.36758	21002.02847	26507.1788	19935.10343	25247.16989	22098.94001	13461.97287	9365.797308	15612.76351	20844.36385	29370.4289	30492.42589	35792.90489	22327.41139
11.91_379.2835m/z	379.2835349	11.91183333	pos	9-Hexadecenoylcholine	HMDB0013208	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts			38.5	0	M+K	C21H42NO2+	-3.46086803	19090.50823	17453.27744	18708.63134	22185.29468	16443.16231	20526.12249	17211.72589	23188.87506	23122.35991	17980.92199	19862.71576	19845.56639	16897.23692	21616.12399	28107.98073	21490.80269	21817.56912	17491.98339	16692.63107
11.97_368.2608m/z	368.2607844	11.9722	pos	5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate	70392	Unclassified	Unclassified	Unclassified			38.5	0	M+NH4	C21H31FO3	3.528605638	91895.5188	103144.8665	105038.645	117161.5753	63205.34646	89340.80957	100236.3269	140660.7519	133029.6562	65250.79764	99926.09338	180434.1662	77281.24708	79629.60937	147173.6528	151108.8006	182540.5447	166389.9993	85827.15087
12.10_239.0668m/z	239.066769	12.10211667	neg	Pyridylacetylglycine	HMDB0059723	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.5	0	M+FA-H	C9H10N2O3	-2.968278409	1801.175999	2355.166338	2222.490797	2044.248515	2468.78829	2600.427008	2408.975555	2167.516664	2520.237656	2388.272483	2737.097446	2211.868393	2794.388662	2616.64995	2549.333973	2631.831249	2741.28107	2446.087009	2304.935669
12.22_306.2784m/z	306.2784297	12.22103333	pos	"All-trans-13,14-dihydroretinol"	HMDB0011618	Lipids and lipid-like molecules	Prenol lipids	Retinoids	**	C15492	38.5	0	M+NH4	C20H32O	-2.468186485	4562.230973	4886.214846	4819.531967	5642.580501	5101.082567	4768.249646	4172.47751	5528.447403	5345.07359	4761.378	4893.59911	5043.969656	5370.134339	4352.988909	5695.111048	5840.116519	4740.977145	6382.188232	4887.18302
12.35_475.1631m/z	475.163141	12.35293333	neg	"3,4,5-trihydroxy-6-[(14-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-16-yl)oxy]oxane-2-carboxylic acid"	HMDB0134196	Phenylpropanoids and polyketides	Macrolides and analogues	Zearalenones			38.5	18.1	M-H2O-H	C24H30O11	4.391804749	13223.18125	12642.67365	14720.88426	19259.34217	15306.41652	16781.02093	18054.70881	15047.97868	13390.45953	14393.75457	17253.07112	15147.65763	17798.50519	15484.55539	14963.08813	16100.97014	17270.01279	17654.23195	14871.73653
12.36_195.1223m/z	195.1223022	12.3611	pos	Acetylagmatine	65718	Unclassified	Unclassified	Unclassified			38.5	0	M+Na	C7H16N4O	3.894647123	95915.74799	66976.71512	95632.3787	97692.44767	94299.44541	92603.47307	96175.65094	94602.00235	91025.43033	95098.91499	96131.43886	78432.9115	88088.01771	89138.9014	97662.70316	97912.80348	96138.27486	97168.20338	92812.26773
12.44_335.0132m/z	335.0131644	12.43801667	neg	6-Thioxanthine	724	Unclassified	Unclassified	Unclassified			38.5	0	2M-H	C5H4N4OS	-2.150764361	3037.911141	2421.698947	2497.872595	3024.303803	2547.441431	2673.059804	2493.94795	2740.312912	2571.878602	2776.926636	3016.941327	2553.413913	2507.571681	2634.933854	2741.269601	2558.033873	2403.7538	2596.019407	2607.865434
12.54_361.1663m/z	361.1662951	12.54093333	pos	Lepidine C	HMDB0032717	Benzenoids	Benzene and substituted derivatives	Diphenylethers			38.5	0	M+H	C21H20N4O2	1.090459391	129974.9144	93448.9581	139410.5539	148732.8424	133164.5144	135161.6271	121824.9793	139971.3409	144479.4697	133746.7335	139666.6088	134958.7229	122538.9632	125221.5823	136486.8273	139657.8215	140473.2912	139477.8279	139347.0958
12.63_152.9954m/z	152.995439	12.62753333	neg	Propanoyl phosphate	63256	Unclassified	Unclassified	Unclassified			38.5	0	M-H	C3H7O5P	-2.561724429	888.6966203	877.5043915	876.9365584	883.558723	979.0327125	948.0002732	874.2703186	1012.631117	1012.193911	931.8457628	936.0880285	912.7825227	918.3162905	906.3312447	910.2388615	1058.507331	1020.733696	1024.842786	954.0181558
14.69_158.0962m/z	158.0961958	14.68663333	pos	"5-Phenyl-1,3-pentadiyne"	71875	Benzenoids	Benzene and substituted derivatives	Unclassified		C17717	38.5	0	M+NH4	C11H8	-1.642171197	3941.687118	3259.230763	3792.679899	3660.183467	3606.023559	3512.678469	4221.997917	3864.217596	3490.416804	3817.466673	3793.063512	3853.761094	3589.179709	3736.107259	3968.210327	4324.948851	3703.24929	3867.126234	3619.51844
14.77_334.9959m/z	334.9958979	14.77215	neg	Desflurane	HMDB0015320	Organohalogen compounds	Organofluorides	Unclassified		C07519	38.5	0	2M-H	C3H2F6O	3.590224279	5211.016454	4671.213048	5641.505377	6806.569838	5275.989433	5367.420435	9360.609286	4650.447712	5464.69447	4006.292502	7253.847314	5371.685623	4300.327646	5250.107695	7162.241349	3868.41973	5326.815945	7621.430354	5479.31772
14.81_368.2611m/z	368.2611056	14.81421667	pos	"6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione"	70564	Unclassified	Unclassified	Unclassified			38.5	0	M+NH4	C21H31FO3	4.445771414	18501.2379	11498.67526	15985.9286	17313.74829	21587.29487	19290.51631	18027.39405	11781.45221	8652.301007	14697.30916	16305.38783	18304.59757	18500.45302	15437.57202	15897.52452	20242.59257	18630.64525	15918.22087	15540.96305
15.74_101.0712m/z	101.0711918	15.73598333	pos	"L-2,4-diaminobutyric acid"	HMDB0006284	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C03283	38.5	0	M+H-H2O	C4H10N2O2	2.138022445	22321.33871	23336.69797	24287.6926	20362.45802	17915.00666	20357.06966	21524.86973	21271.7817	23099.12509	22837.09459	22520.46789	21437.81572	21967.69197	21932.97879	22214.80758	22581.09603	18116.7175	20213.38861	19929.57015
15.74_197.1533m/z	197.1532969	15.73598333	pos	Hexamethylphosphoramide	72970	Unclassified	Unclassified	Unclassified			38.5	0	M+NH4	C6H18N3OP	4.033957254	22828.72792	23117.5269	23479.61534	23672.4737	23419.7013	23976.69298	23328.74823	23394.69888	23651.85427	23468.48352	25200.72998	25142.4911	22324.13305	21637.87965	23529.01848	25325.42647	22561.54256	23915.26318	22119.96077
15.76_223.0632m/z	223.0632012	15.75651667	pos	Withasomnine	68440	Unclassified	Unclassified	Unclassified			38.5	0	M+K	C12H12N2	-0.028518961	41638.74815	44522.9649	39916.2508	40489.37289	42574.79666	43641.16111	45290.33426	40543.72742	41086.5399	38261.53145	45228.91439	42407.09946	42989.59467	39129.73456	43581.36986	43464.57207	42215.30172	41958.02178	39117.24651
15.89_149.0595m/z	149.0595145	15.891	pos	D-Phenyllactic acid	5547	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified	**	C05607	38.5	0	M+H-H2O	C9H10O3	-1.15288755	4675.138584	4728.724678	4320.693741	4385.963748	4313.44381	3813.833412	4321.170813	4934.867302	3756.244549	4583.679055	4866.140611	5070.746419	4887.639554	4290.222857	4905.674359	5122.331191	4375.420718	4045.839501	4413.086199
2.05_591.1513m/z	591.1513323	2.054766667	neg	Xanthoaphin	65664	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C30H26O10	0.974820896	2734.02111	2679.51032	2683.75727	2742.549962	2167.6949	2566.449347	2714.230987	2737.845678	1508.672968	1849.37337	3374.175278	2181.111094	3130.559513	2746.220006	3273.703503	2602.960062	2962.546019	3307.732987	3794.14397
2.12_130.0862m/z	130.0861727	2.117283333	pos	"5,5-Dimethyl-2(5H)-furanone"	265073	Organoheterocyclic compounds	Dihydrofurans	Furanones	*		38.5	0	M+NH4	C6H8O2	-0.734443111	2099.213187	2136.992086	2334.39136	2641.828913	2167.357826	2507.591924	2236.479566	2134.019167	2083.54391	2303.698683	2620.228515	2185.952596	2340.919889	2300.401172	2319.702669	2591.02313	2528.082532	2302.042644	2100.004367
2.18_221.0916m/z	221.0916458	2.17695	pos	Indolepyruvate	HMDB0060484	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives	***	C00331	38.5	0	M+NH4	C11H9NO3	-2.08258341	16927.46991	15852.75679	16175.80826	13756.31214	17979.03693	17313.95339	14368.4486	15208.42676	11698.56836	18504.4707	12840.12034	24176.76972	16337.24818	16467.03001	16153.20086	15057.76074	16420.74403	16257.23671	21667.87051
2.31_205.1586m/z	205.158561	2.3126	pos	"2,4-Di-tert-butylphenol"	HMDB0013816	Benzenoids	Benzene and substituted derivatives	Phenylpropanes			38.5	0	M+H	C14H20O	-0.640181366	2539.027414	2325.781809	2402.462218	2116.980568	1958.64179	2187.648531	2487.923858	2383.128455	2193.230233	2449.967523	2465.058401	2492.374935	2635.805941	2497.931488	2329.653624	2313.580477	2383.929732	2245.758306	2185.753795
2.35_255.2316m/z	255.2315871	2.351833333	pos	Palmitelaidic acid	HMDB0012328	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.5	0	M+H	C16H30O2	-1.060300208	3935.118583	4311.069263	3937.325296	3998.345375	3566.390333	4512.689125	4292.1998	3961.056039	4138.78487	3763.077003	4274.61925	3728.748617	3899.604748	3792.943112	4439.931785	4296.136252	3838.497607	3840.548299	4009.500222
2.37_271.0757m/z	271.0757354	2.373166667	neg	N-gamma-Glutamyl-S-allylcysteine	HMDB0031874	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.5	3.41	M-H2O-H	C11H18N2O5S	-0.227997333	1215.028794	1222.520465	1418.098081	1653.049141	1203.051781	1605.594654	1162.723715	2410.168509	1509.376626	1279.393594	1020.56423	1546.069465	1003.532453	1121.897149	958.7117682	947.8624342	987.0177362	1070.727325	1591.819856
2.45_268.0636m/z	268.063624	2.450283333	pos	Faropenem	HMDB0041892	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C13310	38.5	6.03	M+H-H2O	C12H15NO5S	-0.635959684	679.9393259	883.5719747	557.8539352	0.000297236	0.000297236	154.6116844	78.81216047	1618.081191	5628.402635	0.000297236	128.7666689	2438.129166	0.000297236	0.000297236	0.000297236	0.000297236	87.93585239	299.9485254	0.000297236
2.52_258.1456m/z	258.1455649	2.521016667	neg	Guanadrel Sulfate	HMDB0014371	Organic oxygen compounds	Organooxygen compounds	Ethers		C07035	38.5	0	M+FA-H	C10H19N3O2	-1.711566379	430.0541519	362.974343	363.0684223	267.9576962	599.013295	539.7832681	643.8347664	202.7344255	93.25077885	449.120546	337.276025	204.8008312	521.3464368	480.141993	473.893048	419.7541508	559.9623755	262.7836292	476.5755777
2.61_237.1462m/z	237.1462036	2.606183333	pos	12-hydroxy-3Z-dodecenoic acid	74548	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.5	0	M+Na	C12H22O3	0.41246926	2221.822539	2850.812815	2899.508172	2817.840406	2733.97991	2937.405877	3008.370417	2759.013925	2691.839643	2689.938291	2790.776079	2853.65894	2718.727098	2776.946302	2894.987299	2981.866593	2887.041389	2933.483574	2683.71651
2.74_332.2791m/z	332.2791456	2.743033333	pos	"9,10-DiHOME"	LMFA02000229	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.5	0.0167	M+NH4	C18H34O4	-1.239399166	40744.78987	35859.50512	38718.4198	38210.0769	37419.96519	41571.3501	40899.26206	40636.31179	36155.59398	37752.94628	41943.2053	38199.04319	33677.33616	38403.28797	38215.25242	43845.18875	35526.61333	39208.8275	34507.37016
2.76_302.1592m/z	302.1592218	2.763916667	pos	Etamiphylline	HMDB0041889	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.5	0	M+Na	C13H21N5O2	1.705538129	6974.664788	7841.44053	7050.52906	7933.100847	7620.747224	5931.160958	6076.560062	9145.384489	12785.89533	3871.348476	8759.494227	13423.22343	4166.957309	3831.135199	7706.236995	8981.42698	8662.740775	8864.061412	4603.345271
2.82_279.0984m/z	279.0984332	2.818566667	neg	5-Methoxytryptophan	6631	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives			38.5	0	M+FA-H	C12H14N2O3	-0.905581696	538.2162548	531.0562855	554.2030106	462.6146075	586.0491998	648.9015101	687.7456977	445.6308082	481.974712	571.8215156	576.0216364	464.7892153	563.1574378	603.2914977	510.8969404	623.9502455	515.1696565	531.8399409	692.0458825
2.92_302.1593m/z	302.1592919	2.92155	pos	3-carboxy-4-methyl-5-(4-hydroxypentyl)-2-furanpropanoic acid	LMFA01150068	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.5	0	M+NH4	C14H20O6	-1.837131046	7464.676739	7740.094763	6969.216263	8429.324572	4361.123451	2695.507028	8554.241674	9499.631451	2568.817952	1532.376847	10521.25561	16643.68329	3418.778401	4325.374452	8913.095579	11856.2483	10432.96641	10569.72229	2929.497476
2.98_389.1115m/z	389.1114666	2.979516667	pos	CGS 7181	69725	Unclassified	Unclassified	Unclassified			38.5	0	M+H-H2O	C20H17F3N2O4	1.755942896	22806.59917	24250.0194	22967.62419	22570.28588	25202.73425	23453.76621	21906.47358	21057.48012	23125.05262	21268.96277	22959.10741	26629.32277	25605.49825	23087.39798	25202.30058	26006.54315	26262.89102	23986.46221	20869.80186
3.31_321.1065m/z	321.1064825	3.313233333	neg	5-Amino-6-ribitylamino uracil	61974	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C04732	38.5	0	M+FA-H	C9H16N4O6	4.691678175	181.1725653	182.6779213	173.4362907	0.000297236	484.3391722	1666.420578	0.000297236	0.000297236	0.000297236	1677.069549	0.000297236	0.000297236	0.000297236	0.000297236	53.43515513	50.2717923	57.31273502	44.79970251	0.000297236
3.53_323.0411m/z	323.0410935	3.534466667	neg	5-Amino-6-(5'-phosphoribitylamino)uracil	3502	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C04454	38.5	0	M-H2O-H	C8H15N4O9P	3.712520814	4473.811279	4842.211011	4711.12207	4602.921963	4235.143715	3921.252951	4691.677591	4066.540589	3459.483423	4669.277153	4691.388436	4581.800597	5006.875163	4909.803721	4545.140904	5219.089174	5071.401591	5107.887627	5438.077076
3.54_463.1057m/z	463.1056585	3.538083333	pos	farnesyl triphosphate	LMPR0103010023	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids		C03115	38.5	0	M+H	C15H29O10P3	2.218243999	11864.87097	10026.63414	11266.94932	11342.76525	10813.98518	13850.39644	9167.627505	6988.42121	8134.122231	9754.693575	10524.24465	12744.59393	11362.27707	11906.5067	14240.04311	13193.83422	14010.98696	12958.31976	18754.76227
3.55_401.0964m/z	401.0964336	3.554916667	neg	Bay-K-8644	69687	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C16H15F3N2O4	-0.45187459	893.271466	680.3788501	831.7006569	1116.676239	722.8503864	2236.349294	243.0031235	787.5396336	991.1832897	1193.457792	611.6328094	1301.002272	658.5693222	439.4895472	583.6979532	666.3106564	526.3429275	494.0722228	515.8301262
3.66_204.0491m/z	204.0490962	3.65905	pos	8-Hydroxy-7-methylguanine	58348	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.5	0	M+Na	C6H7N5O2	-0.546335426	3865.569375	4084.170975	4299.058695	4945.655082	4428.661079	4143.395047	4095.853361	3705.594232	3660.174092	4086.699978	4088.819402	3531.762594	4466.722059	3989.446721	4314.929342	4814.007757	4156.641557	4098.423402	4261.192162
3.68_181.0495m/z	181.0495115	3.680483333	neg	Homovanillic acid	HMDB0000118	Benzenoids	Phenols	Methoxyphenols	***	C05582	38.5	1.96	M-H	C9H10O4	-6.156612858	3772.416577	3966.927604	4169.187173	3855.477053	5020.611612	2878.185258	6089.30529	2219.062046	6506.745213	6826.861572	2952.414889	4873.347654	5070.818259	4482.315992	3707.513359	2248.936824	3012.546716	1929.135284	4088.522804
3.72_284.2067m/z	284.2066634	3.72035	pos	Pentadecylic acid(d3)	45753	Unclassified	Unclassified	Unclassified			38.5	0	M+K	C15H27D3O2	0.386898599	14102.95342	12664.89224	15546.17025	6259.128412	19238.18112	12674.91157	16467.57623	17884.02531	10033.37234	7776.577751	14107.08414	14737.75917	7046.530226	13742.49322	5153.304064	11872.63897	10041.47361	8586.145769	12962.80831
3.76_427.0418m/z	427.0417675	3.764833333	neg	CDP-Ethanolamine	HMDB0001564	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine ribonucleotides	**	C00570	38.5	0	M-H2O-H	C11H20N4O11P2	-1.731024754	941.3420263	1013.567205	944.9407806	859.9391743	1212.272822	746.5196549	938.0290757	850.5048338	1048.890344	1171.294022	847.9099608	1328.618539	983.48952	758.8214131	1166.753144	1119.052613	1244.141313	1015.634635	1127.017134
3.76_662.3323m/z	662.3323365	3.763516667	pos	OHHdiA-PS	LMGP20040028	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			38.5	16.3	M+H-H2O	C31H54NO13P	3.455345524	4251.013286	4579.201884	4294.625848	2684.004584	5450.203878	4135.071184	5920.371055	5295.961337	5081.11509	4052.943124	3504.779481	6143.569612	8104.67022	3997.956626	5175.53243	3391.977091	3193.055591	1870.517795	2525.812603
3.89_508.2756m/z	508.2756441	3.890083333	pos	Desmosine	5554	Organic acids and derivatives	Carboxylic acids and derivatives	Tetracarboxylic acids and derivatives			38.5	0	M+H-H2O	C24H39N5O8	-1.772193359	6059.273467	5580.784586	5152.779415	5277.047429	5409.859495	11775.28013	4401.262697	6354.548738	4785.323505	12968.69604	5084.623151	4653.119788	4688.750811	5427.323716	4334.971593	4780.764224	4863.439034	4780.427303	4339.823218
3.98_260.1039m/z	260.1038818	3.976266667	neg	Imazapyr	72626	Unclassified	Unclassified	Unclassified			38.5	0	M-H	C13H15N3O3	-0.701263727	587.1644168	546.9831573	518.8204882	277.3554169	1194.527325	581.3323414	946.4077491	80.84283667	130.8751809	1115.320497	572.7694261	103.320394	767.4317929	1065.80213	815.3207032	684.3232719	816.2605224	313.7226413	612.0002629
4.12_246.0511m/z	246.0511183	4.119566667	neg	Isoniazid alpha-ketoglutaric acid	HMDB0060663	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	**	C16625	38.5	0	M-H2O-H	C11H11N3O5	-3.437055177	304.6403629	298.5935582	289.063942	347.5360787	189.0992297	457.5027091	231.952364	295.3133357	178.0003192	245.5645807	188.0739208	443.9564686	278.5940728	328.9977793	479.7847663	286.7321221	363.9229541	374.2420459	633.5386905
4.18_183.1015m/z	183.101539	4.1837	pos	MEPHENESIN	43479	Unclassified	Unclassified	Unclassified			38.5	0	M+H	C10H14O3	-0.174441183	5311.183063	5722.47797	5244.811776	5749.586012	5564.025484	5668.154359	5376.061455	5333.699622	5543.753652	5506.009002	6064.709686	6140.634619	5385.317026	5363.491123	5855.52534	5589.331797	5811.060332	5551.99703	5145.81159
4.35_199.0966m/z	199.0966297	4.351383333	neg	Tiglic acid	34552	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C08279	38.5	0	2M-H	C5H8O2	-4.761921482	1016.892578	1116.547287	953.2060572	913.895273	955.4670693	912.1380502	880.317308	774.1814748	871.415727	846.2195923	930.8097059	884.6925138	1031.285476	1057.40102	927.6655011	996.2455259	866.0871837	823.887539	985.2123715
4.53_239.1383m/z	239.1383125	4.532133333	pos	bk-MDDMA	96732	Unclassified	Unclassified	Unclassified			38.5	0	M+NH4	C12H15NO3	-3.194845071	1163.664697	1183.58577	1232.100058	2188.820071	1043.779809	701.1168662	948.619463	1281.475548	1352.021338	524.8280074	995.5160523	1874.165036	882.5713732	1062.531706	1136.802357	1240.12446	1721.584439	1320.401257	775.4568627
4.61_225.1126m/z	225.1125814	4.6053	neg	2-tert-Butyl-4-hydroxyanisole	HMDB0059926	Benzenoids	Phenols	Methoxyphenols			38.5	0	M+FA-H	C11H16O2	-3.615443948	276.7739732	287.5547397	404.2134051	170.5916791	408.8724837	1045.702475	152.5740436	159.9785697	176.0070155	907.5887185	91.87769267	92.16076961	127.0189422	116.3496584	176.8038175	85.26311191	385.7079362	266.6739911	126.7575934
4.61_405.0754m/z	405.0753733	4.6053	neg	4-AMINOETHYLBENZENESULFONYL FLUORIDE	43987	Unclassified	Unclassified	Unclassified			38.5	0	2M-H	C8H10FNO2S	-1.491902874	2160.976133	1857.496272	2108.457284	869.2311383	1696.779487	3255.586703	1144.623736	3171.911041	4911.578857	2748.295104	1667.383579	2712.064973	1453.702284	2143.303059	1382.041649	884.9074242	1335.042267	1074.312045	1144.216542
4.71_300.1273m/z	300.1273076	4.7107	neg	4-hydroxy Nonenal Mercapturic Acid	44812	Unclassified	Unclassified	Unclassified			38.5	0	M-H2O-H	C14H25NO5S	-0.611636096	624.9570745	847.882554	695.6377048	271.734894	720.452905	215.8473177	575.4703163	1456.74438	715.1389372	263.9248467	599.7482056	436.2240966	317.3080257	460.902028	466.2322011	467.4517467	424.3726359	462.9226232	247.2140318
5.02_411.0786m/z	411.0785713	5.017966667	neg	"(R)-2-Hydroxybutane-1,2,4-tricarboxylate"	63241	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	**	C01251	38.5	0	2M-H	C7H10O7	1.316196176	514.0504201	641.5200462	674.2792352	586.3142622	480.4125503	678.2857796	523.2009434	722.2947146	348.5066146	623.8389747	457.1523897	703.1656781	722.175034	365.0795531	595.412784	373.6326258	675.0452601	671.7187795	1135.230762
5.12_162.0547m/z	162.0546619	5.123166667	pos	4-Oxo-4-(3-pyridyl)-butanoic acid	5924	Organic acids and derivatives	Keto acids and derivatives	Gamma-keto acids and derivatives	**	C19569	38.5	0	M+H-H2O	C9H9NO3	-1.63623518	603.726938	551.3010587	685.7764181	736.1257231	568.6786626	562.288425	559.4109563	550.5734328	638.7051633	603.7697332	682.4209593	617.0432924	883.5059013	786.1275966	535.1810994	673.042093	552.4127039	630.0518932	967.6286407
5.54_435.1279m/z	435.1278707	5.539733333	pos	Prunin	LMPK12140237	Lipids and lipid-like molecules	Polyketides	Flavonoids	***		38.5	0	M+H	C21H22O10	-1.618431063	942.9159718	892.9586567	1018.667364	0.000297236	185.9225886	4146.320681	0.000297236	0.000297236	0.000297236	10820.03033	0.000297236	0.000297236	199.7066782	124.6423103	0.000297236	0.000297236	549.9309235	123.4949732	0.000297236
5.61_245.1390m/z	245.1390231	5.613333333	neg	(S)-9-Hydroxy-10-undecenoic acid	HMDB0032662	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives			38.5	0	M+FA-H	C11H20O3	-2.119868672	307.6503887	367.6855572	260.0109449	261.2204143	287.5259425	412.6812837	192.0040346	808.7977863	637.4151334	204.1377302	202.795652	297.9397273	274.2973737	228.0158064	157.1080815	172.063314	320.5926254	198.659569	371.8407973
5.62_419.3150m/z	419.3149644	5.618966667	pos	Dichotellate B	LMFA03000013	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			38.5	1.11	M+H	C26H42O4	-1.486699639	7464.619677	7241.307357	7770.435945	6431.665058	6867.229415	7602.051526	7627.933514	7566.783826	8346.842111	7359.758968	9052.843228	7887.469274	7381.767517	7680.27115	8055.801716	6883.668793	6791.819445	7456.635314	5476.351625
5.79_387.2388m/z	387.2388235	5.79205	neg	"methyl 9,12-dihydroxy-13-oxo-10-octadecenoate"	LMFA01050149	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.5	0	M+FA-H	C19H34O5	-0.010321203	1011.255193	1010.430634	1042.146486	2235.649007	538.2913936	1759.046036	762.2338502	0.000297236	0.000297236	750.8864794	898.0598708	404.4677384	1534.992774	1260.709593	1348.044921	1262.141181	1901.854047	1919.663747	2034.777298
6.36_229.1438m/z	229.1438336	6.356933333	neg	Ethyl (E)-2-nonenoate	87542	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.5	0	M+FA-H	C11H20O2	-3.796714572	667.8917195	623.7722504	759.2195034	436.7503383	643.7970943	931.7233361	576.1786074	787.4961617	855.9094097	870.6837153	686.9287349	620.0573198	454.6099001	644.3309049	538.5358267	565.6209021	559.8248046	599.2102741	444.0750719
6.48_393.2241m/z	393.2240704	6.482266667	pos	20-Hydroxy-PGF2a	HMDB0004049	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		38.5	0	M+Na	C20H34O6	-1.861222457	8999.777797	9082.425852	7334.677134	15584.74418	3611.683486	12196.68578	4806.470752	6502.782184	2622.210529	4849.228707	6986.261635	7098.811128	7123.082145	7426.404326	10464.6837	8770.971402	13297.62283	15987.41785	11927.34284
6.62_351.1924m/z	351.1924109	6.6197	neg	W123	64710	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C17H26N2O3	-0.439916223	349.7287114	238.578504	282.9574318	781.6015235	0.000297236	562.7214331	1519.195679	0.000297236	0.000297236	338.6100828	775.8382791	0.000297236	35.59133208	66.22244594	779.8105043	751.8377102	721.3741237	934.9757831	419.7521027
7.26_625.1831m/z	625.1830651	7.260533333	neg	Melicopine	68528	Unclassified	Unclassified	Unclassified			38.5	0	2M-H	C17H15NO5	0.47328804	1335.317625	1479.078825	930.5019401	2046.55073	301.0034599	1531.20097	658.811163	1342.464423	772.8577751	831.5493156	1097.385388	1379.052103	1009.539167	1235.005619	1162.311136	758.2094413	1253.414727	1612.968719	1512.48397
7.68_407.2802m/z	407.2802437	7.675066667	neg	"24-Nor-5β-chol-22-ene-3α,7α,12α-triol"	43158	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C23H38O3	-0.14966538	524.0026543	499.4458117	384.3824688	869.5961011	49.07142448	418.8688411	0.000297236	0.000297236	0.000297236	2995.763583	2557.25969	0.000297236	0.000297236	0.000297236	1613.007637	0.000297236	485.1123706	1080.728344	436.8963124
7.78_529.2395m/z	529.2395035	7.783116667	neg	PI(13:0/0:0)	LMGP06050001	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			38.5	4.25	M-H	C22H43O12P	-4.589341486	2447.293265	2170.850984	1765.501669	966.1870102	990.8505496	0.000297236	928.5866839	292.5083766	3342.856069	291.7000824	1363.751002	2205.183899	743.6162103	1822.101466	9771.881784	1098.566108	2321.039532	4220.016061	882.0648559
7.80_256.1916m/z	256.1916325	7.801516667	neg	N-lauroyl glycine	LMFA08020261	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			38.5	0	M-H	C14H27NO3	-0.71852543	535.9881328	558.6958957	548.1308239	538.7391667	604.6913601	550.8934948	643.1575312	501.2098085	377.5774922	690.9812477	409.6735235	486.1577383	651.1224138	529.7584011	551.0159915	609.6357663	481.5047633	668.0442528	986.0576006
8.08_283.1008m/z	283.1008408	8.077566667	neg	{[(2Z)-2-(phenylmethylidene)heptyl]oxy}sulfonic acid	HMDB0126522	Benzenoids	Benzene and substituted derivatives	Unclassified			38.5	0	M-H	C14H20O4S	-0.39749131	2086.621001	2000.199055	1841.75724	1977.35275	2089.80817	2104.962527	1792.096745	1142.125876	1864.115957	2037.781256	2514.987971	2104.289841	1567.321326	2050.790582	1414.090854	1401.287167	1678.507143	1552.716549	1304.717982
8.39_262.1774m/z	262.1773511	8.388133333	pos	Hydroxyprolyl-Isoleucine	HMDB0028866	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.5	0.0513	M+NH4	C11H20N2O4	4.990872459	5732.037959	3495.972233	6084.455018	6273.765167	5508.809738	5424.495544	5670.755363	5738.322129	6034.20856	6074.091028	6331.400781	4899.510334	5571.502145	6062.103162	6504.30895	6182.690957	5811.580654	6033.343583	5547.330998
8.77_183.1014m/z	183.1013581	8.767316667	pos	"2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate"	66598	Unclassified	Unclassified	Unclassified			38.5	0	M+H	C10H14O3	-1.167862198	4330.90013	4167.335778	4056.617758	4820.221003	4021.356878	4272.716909	4552.307815	3942.596636	4167.30403	4859.507907	4526.376439	4241.719496	4261.718974	3968.995104	4839.072466	4548.000588	4706.224017	4416.332048	3834.160078
9.11_253.1442m/z	253.1442498	9.111633333	neg	"(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol"	HMDB0034672	Organoheterocyclic compounds	Benzopyrans	Unclassified			38.5	0	M+FA-H	C13H20O2	-1.359270256	1287.719897	1192.290704	1134.790863	837.5860171	1000.926444	1185.323574	1025.867465	1003.295483	901.2792321	1110.749027	1038.096718	927.3747201	812.5665066	992.5302227	1005.430836	1065.288686	908.0876009	1057.857747	1056.538476
9.17_359.2188m/z	359.2188106	9.169666667	pos	Leukotriene B4	HMDB0001085	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	***	C02165	38.5	0	M+Na	C20H32O4	-1.396660293	703.1971035	577.9129944	1017.406969	872.3791267	618.6296633	951.3497922	1001.684271	381.3962154	105.0101936	473.6915868	504.5072433	397.3603207	1078.599461	1749.07279	1344.34396	602.8790795	971.432166	570.6820181	450.6693581
9.20_248.0797m/z	248.0797354	9.202816667	neg	"(5-Phenyl-1,2,4-triazol-3-yl)urea"	70853	Unclassified	Unclassified	Unclassified			38.5	0	M+FA-H	C9H9N5O	4.050404846	11681.90635	9967.560265	11368.19951	10844.16147	11518.76925	10202.0837	10035.82246	9184.483476	10296.34272	9238.10185	11081.48477	10279.25128	11153.12366	11988.73669	10698.11015	11932.27242	9982.868508	10542.89854	10233.21383
9.28_267.1138m/z	267.1137936	9.277366667	neg	Pilosine	68426	Unclassified	Unclassified	Unclassified			38.5	0	M-H2O-H	C16H18N2O3	-0.376399761	1569.116455	1696.047294	1956.168096	1123.777802	2757.754089	1787.12509	1776.479182	921.731176	1482.224565	2842.475317	1056.943213	1338.866787	1210.453735	787.4165512	1423.569912	1886.971056	1311.271955	2039.564432	1647.399291
9.85_580.2870m/z	580.2870317	9.854016667	neg	POB-PS	LMGP20040017	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			38.5	2.36	M-H	C26H48NO11P	-3.767205734	16916.60601	16814.30056	17045.13924	18715.12577	35104.25495	20923.03727	22685.36761	14604.16172	27980.55265	17007.83464	20137.31627	35634.61273	26578.95448	19932.6359	18354.53817	13924.37031	16513.84729	15689.9001	21216.1227
9.94_285.2071m/z	285.2071109	9.935916667	neg	Isobutyl 10-undecenoate	88382	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.5	0	M+FA-H	C15H28O2	-0.092181408	992.0583962	833.5143156	879.1652929	809.495575	867.9884494	869.8864847	1056.858963	905.6933506	777.5952869	914.9106837	958.5557976	645.9948334	1009.118212	964.280973	977.8123287	1003.877529	891.0144412	890.78226	1036.612948
0.23_131.1065m/z	131.1064925	0.231516667	pos	Heptanoic acid	HMDB0000666	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C17714	38.4	0	M+H	C7H14O2	-1.257972734	13544.75187	12271.16977	12193.9472	12060.2209	11802.22781	13447.20995	12438.44585	14066.3771	11753.70699	12817.14712	12962.55068	14109.2522	12196.57893	11454.47921	12886.13269	12465.23225	11810.6122	13993.14697	11436.8388
0.33_159.0763m/z	159.0763475	0.32715	pos	5-Hydroxyectoine	63420	Unclassified	Unclassified	Unclassified			38.4	0	M+H	C6H10N2O3	-0.450026654	3711.912598	2319.068406	2882.419807	2257.397972	2746.360584	2678.877316	3078.015918	3402.49611	3145.056084	3267.881213	2794.117781	2489.566742	2506.288246	3093.934914	2962.911538	3272.408354	2744.675795	2822.730719	2868.381673
0.46_122.0358m/z	122.0357715	0.457466667	neg	Pyrazinamide	2196	Organoheterocyclic compounds	Diazines	Pyrazines		C01956	38.4	0	M-H	C5H5N3O	-1.737707637	1193.110056	815.8736415	980.2539069	848.4871564	901.9879248	687.6915219	833.3572468	889.9413153	703.4989152	997.4304378	786.7534643	1098.682362	1083.909034	941.2946511	888.4296784	956.7385783	825.9911569	1261.191654	946.369946
0.46_213.1852m/z	213.1852061	0.457466667	neg	"(+/-)-N,N-Dimethyl menthyl succinamide"	88285	Hydrocarbons	Unsaturated hydrocarbons	Branched unsaturated hydrocarbons			38.4	0	M+FA-H	C12H24	-4.74209061	8617.903291	8586.585487	8422.5229	8474.821487	8659.514014	7965.051401	8398.447377	8292.68903	8241.583888	8925.18102	8102.537454	8588.708479	8994.208489	8874.163331	8974.356983	9061.349674	8349.997723	9024.042647	8196.073418
0.50_136.0516m/z	136.0515503	0.499683333	neg	2-Pyridylamide oxime	45425	Unclassified	Unclassified	Unclassified			38.4	0	M-H	C6H7N3O	-0.620731211	2214.760366	1299.374365	1682.79734	1539.804619	1343.299004	1089.452875	1550.382817	1421.086058	1267.188599	1672.642627	1312.278128	2150.606461	2008.49482	1823.194706	1881.460556	1836.057184	1528.921262	2087.872838	1594.433772
0.51_205.1586m/z	205.1585708	0.5146	pos	"(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne"	HMDB0031776	Organoheterocyclic compounds	Epoxides	Unclassified			38.4	0	M+H	C14H20O	-0.592395076	2784.762579	3140.503926	2982.731155	3513.596714	2998.495996	3391.53686	3094.702353	2781.380745	3112.364528	3486.76178	3202.112288	2713.434445	3423.235254	2780.25253	3084.968749	3114.997942	2882.767222	3147.160854	3053.84185
0.59_164.0668m/z	164.0668183	0.589883333	pos	3-Oxo-3-ureidopropanoate	63408	Unclassified	Unclassified	Unclassified			38.4	0	M+NH4	C4H6N2O4	1.616775158	3416.384727	4036.634874	2790.41543	2417.987946	2629.667966	3538.240269	2637.002894	3603.742539	2834.774847	3540.858017	2878.781236	2401.873584	3569.691744	3227.55214	3115.640683	2991.608446	2983.817358	3079.476896	3317.055216
0.61_139.0978m/z	139.0977705	0.60835	pos	PENTETRAZOLE	44194	Unclassified	Unclassified	Unclassified			38.4	0	M+H	C6H10N4	-0.378535599	1135.900963	1162.803998	810.7864823	1149.225082	1236.941312	1750.93551	1297.012703	380.0706439	790.5819177	2313.541655	1191.769819	346.5072052	1100.437107	474.3972301	617.8392741	1096.28911	1107.744555	743.3293292	674.0042184
0.63_201.0635m/z	201.0635463	0.62635	pos	N6-Hydroxy-L-lysine	63466	Unclassified	Unclassified	Unclassified			38.4	0	M+K	C6H14N2O3	-0.333520919	1013.818304	1410.847055	1526.787528	1755.165281	299.9551914	1132.301941	1045.988861	379.3508939	1156.213084	1234.841286	686.7382391	2107.344598	1841.004823	1257.185959	1533.656889	1643.737081	1539.974848	1784.359817	2202.023355
0.64_249.1444m/z	249.1443663	0.643516667	pos	QUINAMIDE ISOPROPYLIDENE	43826	Unclassified	Unclassified	Unclassified			38.4	0	M+NH4	C10H17NO5	-0.570421354	8759.350637	9748.590517	9313.524569	10914.64637	6017.798832	11065.18442	4357.714233	4912.451635	4677.097174	6070.294708	9857.615048	9531.200244	11279.98539	8841.478276	14259.30472	14051.10878	10425.19205	16332.29499	11887.30296
0.66_284.1368m/z	284.1367652	0.660716667	pos	Lysyl-Valine	HMDB0028964	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.4	0	M+K	C11H23N3O3	-1.36433545	23590.17942	24970.30777	23512.47596	20103.33141	28389.62927	26097.06018	27588.71888	49410.63846	41178.19494	28139.15727	22404.27333	35771.13325	21726.02478	24110.97252	19150.76052	21245.39915	28288.18668	18168.86337	21755.69612
0.70_118.0615m/z	118.0614914	0.695266667	pos	N-Nitroso-N-ethylurea	72910	Unclassified	Unclassified	Unclassified			38.4	0	M+H	C3H7N3O2	3.318717574	430656.0562	467809.6898	411418.0628	524948.4084	345838.6741	439024.1716	393253.0235	182498.8093	316840.8518	523016.0403	455139.7922	435314.0538	415036.6544	594876.874	410162.5325	551821.9173	481678.9397	505559.6124	607310.0296
0.70_164.0551m/z	164.0551293	0.695266667	pos	3-Oxoglutaric acid	HMDB0013701	Organic acids and derivatives	Keto acids and derivatives	Short-chain keto acids and derivatives	***		38.4	0	M+NH4	C5H6O5	-1.503072446	3958.338861	4446.861263	2859.399536	6415.959499	818.7378438	1203.940734	3453.352669	1928.199362	2898.570951	2472.766766	4231.875658	3419.920504	5186.126307	4597.817817	2451.011305	5466.240495	5198.892674	4577.134825	5923.389094
0.71_381.1099m/z	381.1098625	0.712816667	neg	"xi-2,3-Dihydro-2-oxo-1H-indole-3-acetic acid"	HMDB0035514	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives			38.4	0.653	2M-H	C10H9NO3	1.707939708	73623.15231	67513.26751	69367.79002	27771.1227	153429.2751	80471.73121	98592.7131	56301.3197	39668.20647	119102.4383	38729.71419	18612.4744	118548.8083	85150.34027	157536.1319	36531.92701	106265.8773	22828.65305	43268.48594
0.73_114.0553m/z	114.0552543	0.729216667	pos	4-Hydroxyproline	HMDB0000725	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C01157	38.4	0	M+H-H2O	C5H9NO3	2.284535163	24214.63515	23042.10682	24688.7438	28689.89589	14144.13859	38864.76661	13718.47392	41978.63967	27595.81862	20931.44549	29513.0034	25237.62503	20425.54756	15645.01341	19901.95302	24533.3683	23033.47815	35486.88683	21810.31853
0.75_425.1759m/z	425.1758772	0.7465	pos	Chitobiose	63232	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01674	38.4	0	M+H	C16H28N2O11	-1.671369955	20708.99085	21411.67915	22616.51967	13063.62202	18143.74895	17808.43702	15514.7355	35764.12881	30816.5748	18147.95699	12488.15323	20622.22679	17189.10598	14871.58119	17642.07838	13510.89219	20623.75874	16408.84835	20056.58003
0.76_214.9957m/z	214.9957294	0.764266667	neg	glyceraldehyde-3-phosphate	149	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C3H7O6P	-2.929768257	3633.507957	5404.284345	5764.641266	5179.870289	3580.193754	3426.020955	2333.136043	4644.293061	3747.742458	2863.341589	4028.839445	6420.450619	3211.91107	2389.697186	3865.11405	3171.040981	3687.123019	5438.394793	4652.880942
0.80_239.0767m/z	239.0767049	0.801	neg	Glycolaldehyde dimer	65500	Unclassified	Unclassified	Unclassified			38.4	0	2M-H	C4H8O4	-2.233283129	5725.829987	7086.291183	6160.236025	6757.943155	5125.393217	7609.956665	7084.156192	3850.642034	3626.909201	8535.05077	7243.428465	4758.719028	6888.024897	8750.529803	5998.365421	6237.995846	7406.114437	5856.998269	7266.557033
0.82_205.1003m/z	205.1002765	0.816033333	pos	Buthionine sulfoximine	66203	Unclassified	Unclassified	Unclassified			38.4	0	M+H-H2O	C8H18N2O3S	-1.119615572	4010895.274	4191406.921	4094315.887	3864619.452	3033089.453	4151308.676	3426415.891	2902761.224	2821396.307	3310570.647	5541358.053	3465250.396	4304681.084	4807948.409	5893983.343	5302012.246	3870647.377	3804640.097	4904377.168
0.82_229.1543m/z	229.1542683	0.816033333	pos	Mescaline	3346	Unclassified	Unclassified	Unclassified			38.4	0	M+NH4	C11H17NO3	-1.89775547	17068.28851	14597.14222	17765.7982	12642.17208	20378.684	14003.79051	10816.19908	45221.98519	38533.17022	12633.23303	11606.86432	29394.756	12892.14984	12463.01902	10332.48714	11437.25597	12251.78555	12074.65053	9862.359656
0.83_215.0160m/z	215.0159601	0.833416667	pos	"2,3-Dioxogulonic acid"	351	Unclassified	Unclassified	Unclassified			38.4	0	M+Na	C6H8O7	-1.370719296	7619.973475	9373.096041	7517.04603	3610.742382	5676.91366	3360.934004	5515.096937	31980.70099	31911.65332	16995.49903	4108.008124	9810.446902	4698.034576	9596.862754	5388.781596	6123.922429	6905.46219	1247.264572	2779.812007
1.03_146.0811m/z	146.0810879	1.026666667	pos	Allysine	6118	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C04076	38.4	0	M+H	C6H11NO3	-0.563280774	172.625089	179.8925035	115.0102501	240.843757	428.176424	256.2088938	265.670023	202.2336211	137.7447699	243.2527943	224.2306861	164.1631802	315.6610714	146.8135225	178.2353186	194.0882953	225.1971684	248.4806344	0.000297236
1.03_371.1009m/z	371.1009423	1.026666667	pos	Camptothecin	3491	Unclassified	Unclassified	Unclassified			38.4	0	M+Na	C20H16N2O4	2.052818962	2504467.041	2553460.467	2465339.6	2400940.993	2368760.3	2397201.374	2336130.714	2334690.297	2329177.91	2291807.939	2438111.169	2824108.404	2563675.543	2517009.35	2642669.835	2595940.197	2464034.281	2448680.266	2158077.098
1.10_245.0389m/z	245.0388579	1.098716667	neg	"2',2'-Difluorodeoxyuridine"	HMDB0060727	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides			38.4	0	M-H2O-H	C9H10F2N2O5	3.488406422	1493.458599	1512.383465	1120.058382	1515.493241	1607.131454	1385.831162	1567.005651	655.7069168	493.2240182	1344.509226	1149.850688	1314.503317	1495.377345	1610.337011	1865.361857	1795.187319	1838.014813	387.4667358	1108.627213
1.10_286.1044m/z	286.1043836	1.098716667	neg	5-Methyldeoxycytidine	58109	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides		C03592	38.4	0	M+FA-H	C10H15N3O4	-0.312195586	1553.852684	1717.223309	2464.091805	2017.815538	1687.371664	1904.037302	1766.455931	2193.016356	1825.822831	1623.627756	1445.998357	1746.063311	1200.273795	1444.451047	1441.375922	2310.617055	1789.999675	1537.353536	1398.050993
1.10_318.0594m/z	318.0593937	1.098716667	neg	N-Gluconyl ethanolamine phosphate	88338	Organic acids and derivatives	Organic phosphoric acids and derivatives	Phosphate esters			38.4	0	M-H	C8H18NO10P	-0.50872198	6994.614926	7717.55542	6986.015989	8521.464901	6137.709914	10417.50763	6481.75221	7025.238692	9056.537865	9808.625734	6245.684531	7496.541169	5968.41471	6884.87486	6902.062115	6077.646236	7881.327703	6898.196873	11336.98815
1.12_221.0661m/z	221.0660649	1.118516667	neg	3-propylmalic acid	45908	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates	**	C02123	38.4	0	M+FA-H	C7H12O5	-3.472885431	1304.947705	1077.932093	1159.346548	679.031565	581.8422134	1860.459405	544.8391328	2681.181648	3560.017022	1322.023445	775.6800843	2588.846047	886.9330332	801.082245	517.0553735	355.4931189	626.9486613	411.9313024	970.290289
1.14_303.0835m/z	303.0835228	1.13945	neg	N-Acetylaspartylglutamic acid	HMDB0001067	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C12270	38.4	0	M-H	C11H16N2O8	0.439733966	1535.67201	1530.731177	1789.406162	1134.394694	1341.643137	994.1047937	1655.094218	3437.673327	3576.386157	988.2049061	1165.605977	2571.82059	1638.551664	1238.559763	1561.619319	1338.35859	1015.798941	1156.026634	1182.924444
1.14_451.1200m/z	451.1200117	1.13945	neg	Xanthene-9-carboxylic acid	2154	Unclassified	Unclassified	Unclassified			38.4	0	2M-H	C14H10O3	2.874853981	1517.666707	924.4401757	1174.636887	273.1332206	255.415209	654.4896032	715.9516501	732.8985784	853.1021667	420.6349281	174.4504721	2197.683887	1147.372542	1255.746751	322.4384377	759.6216849	766.9280825	166.8928111	1070.125943
1.18_589.3171m/z	589.3171264	1.1797	neg	Prorepensin	LMPK12120107	Lipids and lipid-like molecules	Polyketides	Flavonoids			38.4	0	M+FA-H	C35H44O5	0.090117113	936.9152921	1215.71017	924.3271823	818.2972684	580.2214955	951.427216	782.0034162	618.7096642	358.2179679	1219.087462	939.4005716	1204.708155	1374.071075	590.6496451	754.0329221	1326.847676	1179.86353	1309.060033	1443.158065
1.22_233.1492m/z	233.1491959	1.219283333	pos	Piperazine adipate	69714	Unclassified	Unclassified	Unclassified			38.4	0	M+H	C10H20N2O4	-1.669739535	3000.502079	3887.394784	3451.035926	2481.209959	4936.890996	2966.194252	4667.34282	1182.838802	1144.059616	4652.887185	2565.611615	1335.426833	4791.666311	5058.80808	4582.045061	4168.148862	4326.393659	2061.676801	4180.029133
1.76_292.1304m/z	292.1304497	1.760316667	neg	Leonurine	71482	Unclassified	Unclassified	Unclassified			38.4	0	M-H2O-H	C14H21N3O5	0.546335377	510.7933148	480.5471532	577.667705	380.831237	887.2638192	577.5876563	1156.950773	261.719467	252.5102337	838.0831423	583.4990795	213.5052026	691.4957299	771.666496	756.2519122	545.84595	692.3717438	365.1461494	666.7447805
1.90_151.0614m/z	151.0613811	1.903316667	pos	7-Methylhypoxanthine	HMDB0003162	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.4	0	M+H	C6H6N4O	-0.374234902	1576.540957	1470.794126	1410.352757	1664.676088	1327.944869	1127.935193	1435.329808	2265.653114	1816.802725	1091.885996	1229.681059	3378.84054	1600.651088	1419.154474	1471.095521	1184.827652	1186.265954	1332.595112	1492.480993
1.93_367.0555m/z	367.0554592	1.929083333	neg	dTMP	3451	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine deoxyribonucleotides	**	C00364	38.4	0	M+FA-H	C10H15N2O8P	2.031484703	2082.699527	1932.555541	2109.309013	1692.858835	2400.13456	1993.404987	1831.065532	2013.180283	2236.032675	2482.619669	1695.765617	2153.456075	1879.44808	1736.464828	1881.240048	1793.040151	1756.993673	1499.824263	2018.51886
1.95_303.0697m/z	303.0696522	1.949816667	neg	Dinitramine	72555	Unclassified	Unclassified	Unclassified			38.4	0	M-H2O-H	C11H13F3N4O4	-4.334887073	23969.19433	24864.92548	24214.57245	2008.142313	6287.906663	3379.116532	2622.46059	268560.1361	50922.07445	1591.277658	2188.824317	8934.433984	2949.751314	3273.592221	1241.160577	1939.270654	2315.00992	2731.262096	2936.185304
10.06_662.3313m/z	662.3313156	10.06331667	neg	OKOHA-PE	LMGP20020040	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			38.4	0.522	M+FA-H	C30H52NO10P	0.371292977	11437.37374	11565.62186	12242.5157	13666.0356	13720.54864	10476.55995	11024.6443	10142.39774	13492.71672	10302.68734	12949.37526	17162.77139	15901.66603	16254.81014	13431.1996	14916.24306	11137.62415	12948.97746	13912.25028
10.08_277.1443m/z	277.144341	10.08475	neg	"(Z)-8-Decene-4,6-diyn-1-yl 3-methylbutanoate"	87340	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		38.4	0	M+FA-H	C15H20O2	-0.82577862	1301.882972	1411.814835	1447.558611	1230.701193	1727.48752	1226.543832	1707.154799	1643.446179	1489.28817	1893.968766	1617.090306	1223.383657	1450.140326	2188.057317	1323.791744	1291.505019	1174.371815	1461.186408	1285.053066
10.28_632.3190m/z	632.319016	10.2751	neg	OKHdiA-PE	LMGP20020041	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			38.4	0.111	M-H	C30H52NO11P	-2.377341987	67858.26682	63999.39004	71148.76838	70577.52089	76471.65439	70106.57184	69361.71167	86503.80049	102993.5656	59316.12103	62831.85191	95332.21661	82766.3042	69006.7196	87108.89568	77413.6976	86614.0884	82217.77647	82420.30186
10.30_278.1873n	279.1945566	10.29878333	pos	Panaxytriol	36484	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*	C16792	38.4	0	"M+H, M+Na, M+H-H2O"	C17H26O3	-3.287460476	18006.69382	18719.56524	18306.82553	29800.46245	6733.002407	24776.42054	10715.55766	7534.4168	5451.667448	4513.595551	14081.27695	15174.58939	16228.22798	10336.2039	34748.75733	15927.36003	16440.5767	39932.31723	28991.93473
10.57_272.2216m/z	272.2216178	10.56793333	pos	Kikkanol A	71808	Unclassified	Unclassified	Unclassified			38.4	0	M+NH4	C15H26O3	-1.58306517	734.3319537	557.0839418	775.8081093	1225.52857	1022.311413	643.1631748	1025.7607	969.4163979	1140.605201	463.7889593	901.2461241	516.8226524	671.8292266	717.2598723	737.2503686	475.4346854	704.3939524	670.0886402	574.5146687
10.59_564.9930m/z	564.9929592	10.59338333	neg	Risedronate	HMDB0015022	Organic acids and derivatives	Organic phosphonic acids and derivatives	Bisphosphonates		C08233	38.4	0	2M-H	C7H11NO7P2	-3.382023749	16592.51761	11526.07653	12646.68634	13124.6961	11481.36906	13648.06271	11343.33176	10739.57518	13200.81975	12415.10897	11879.37002	12203.29639	13066.99125	12245.94005	13776.19763	14083.00821	11470.34964	13020.18451	11652.39483
11.02_389.2310m/z	389.2310019	11.01853333	neg	Lamtidine	69233	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C18H28N6O	0.98611952	1634.47605	1887.611413	1552.587811	1911.200793	940.2135585	1604.911525	671.9981271	2296.845388	947.5848396	899.6278256	1164.426665	1841.203057	1380.342566	1740.127845	2104.455864	1437.034867	1521.961711	1696.31486	1999.052032
11.23_257.2119m/z	257.2119081	11.23078333	neg	Myristaldehyde	36598	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*		38.4	0	M+FA-H	C14H28O	-1.462208718	877.2938383	665.2157847	724.9706402	765.9587865	761.8767072	794.8213307	876.4132885	479.2579839	740.1012495	866.5976085	659.8384365	701.3529683	906.4640015	782.6166168	856.2402783	838.7544441	858.566896	788.9789967	708.0360116
11.29_156.9904m/z	156.9904018	11.2942	pos	Phosphoglycolic acid	HMDB0000816	Organic acids and derivatives	Organic phosphoric acids and derivatives	Phosphate esters	**	C00988	38.4	0	M+H	C2H5O6P	4.813857098	1173654.219	1276893.448	1211945.216	1229463.876	1152104.284	1179205.117	1179527.344	1182734.361	1191593.004	1194673.961	1209092.796	1293377.42	1245751.655	1261812	1321258.622	1334494.709	1253240.607	1283472.102	1191829.864
11.29_240.2317m/z	240.231733	11.2942	pos	(-)-alpha-Bisabolol	LMPR0103060001	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	**	C09621	38.4	0	M+NH4	C15H26O	-2.060992332	2890.343735	2342.92921	2431.539263	2827.200702	2370.348908	2890.432554	2995.258029	2850.49591	2642.15773	2599.594771	3317.660246	2432.123101	2600.413575	2358.748718	3060.993927	3168.194084	2831.491197	2743.914668	3052.886175
11.29_526.3860m/z	526.3860276	11.2942	pos	Tetracosatetraenoyl carnitine	HMDB0060158	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.4	7.21	M+Na	C31H53NO4	-1.295803836	11922.31714	12786.70059	11791.05776	18349.92201	16323.4016	17756.33994	12376.51215	5070.356087	7212.849981	12590.98975	13218.2491	18115.32023	14525.94314	12420.74972	17153.58409	19469.45936	14925.51907	12679.07639	14543.4897
11.32_1093.2374m/z	1093.237356	11.31721667	neg	Coumermic acid	64582	Unclassified	Unclassified	Unclassified			38.4	0	2M-H	C27H21N3O10	-0.690706266	15738.70805	15783.11216	15857.45181	16164.60248	14576.16579	14902.62155	13307.11033	13948.48342	13978.89981	16073.95135	18365.63225	11027.06727	11574.70645	13505.82617	12077.80112	15160.7686	15752.86231	13444.76179	13446.57822
11.42_555.2726m/z	555.2725954	11.42268333	neg	Herbimycin	68926	Unclassified	Unclassified	Unclassified			38.4	0	M-H2O-H	C30H42N2O9	2.447552309	278923.7001	235926.0784	265546.3872	319940.1306	421566.922	367649.1041	302871.8544	322381.1687	220441.2631	338165.9325	346651.584	398250.9967	236671.2469	222931.9327	308333.6689	395264.1087	314179.5103	455407.1297	287046.233
11.49_543.3052m/z	543.3052381	11.48636667	neg	"1,1,2-Triphenylpropane"	69935	Unclassified	Unclassified	Unclassified			38.4	0	2M-H	C21H20	-0.894253418	6260.221254	4131.445097	5155.051468	5937.555735	6746.925834	5007.080357	6012.209181	3579.785861	3950.818081	4919.568445	5297.967672	6684.376486	7352.756677	6266.27501	6127.941457	5808.588579	6251.003888	6243.750498	5818.820381
11.53_368.2802m/z	368.2802089	11.52978333	neg	cis-5-Tetradecenoylcarnitine	HMDB0002014	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.4	0	M-H	C21H39NO4	-1.146466707	4272.730338	4035.207588	4040.168501	6004.324571	4292.451738	5790.945674	5266.792672	3354.025669	3443.654039	3787.661707	5328.865959	4528.177938	4491.882005	4250.293902	6226.409123	5235.513463	5304.149944	5003.393884	4995.392343
11.64_269.2120m/z	269.2120233	11.63653333	neg	"3S,7,11-Trimethyl-6E,10-dodecadien-1-ol"	LMFA05000152	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			38.4	0	M+FA-H	C15H28O	-0.870265441	1792.310004	1581.88417	1944.775974	1908.848223	1977.085665	1651.819104	2069.236284	1324.181651	1760.40065	2052.369812	2095.941351	1457.983397	2091.34186	1883.745159	1807.114001	2246.220268	1981.411372	1754.385513	1905.314848
11.64_386.2700m/z	386.2700145	11.63653333	neg	Myxalamid C	69331	Unclassified	Unclassified	Unclassified			38.4	0	M-H	C24H37NO3	-0.13716671	647.9909646	595.9489044	728.6883004	715.8940277	694.8699013	725.2102185	548.2896425	789.4004265	1290.037532	446.6302027	685.2609209	1946.342351	1094.749844	876.707853	617.992121	1030.920611	623.5266095	872.3826023	560.6023316
11.74_374.2697m/z	374.2697323	11.74108333	neg	N-Arachidonoyl-L-Alanine	64920	Unclassified	Unclassified	Unclassified			38.4	0	M-H	C23H37NO3	-0.893614519	1628.171642	1295.317382	1471.30307	2384.156627	1602.500948	2009.048713	1039.73307	1974.746968	2185.331049	1480.38928	1414.115228	3208.172183	1352.926729	1516.83825	1360.129707	1874.995659	1726.566316	2184.656979	1682.948498
11.93_790.5376m/z	790.5375738	11.93223333	neg	"PE-NMe2(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	HMDB0113959	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		38.4	9.84	M-H	C45H78NO8P	-2.090628659	205151.9761	246453.2406	247186.41	257209.5	245683.9952	259102.74	251151.8309	280087.2416	220416.8122	288282.3855	229695.9059	242698.7499	303347.6916	247949.0526	42422.77418	289223.2241	247343.0948	239004.4208	240370.7404
11.95_522.3546m/z	522.3545743	11.95225	pos	PC(O-16:1(9E)/2:0)[U]	40009	Unclassified	Unclassified	Unclassified			38.4	0	M+H	C26H52NO7P	-1.614695339	26051.15532	23219.32119	24410.37749	20885.72884	21021.27018	22400.39868	27778.21097	4272.72716	6429.207107	26096.07816	20412.5541	13297.76211	26054.05108	29018.48346	30731.0835	29612.74341	33180.02664	21886.0263	29984.186
11.97_359.1508m/z	359.1507511	11.9722	pos	Ro 31-6045	45525	Unclassified	Unclassified	Unclassified			38.4	0	M+NH4	C21H15N3O2	1.462503224	15233.44499	13414.57262	15897.78941	17567.15116	20607.30425	15710.17112	15433.55841	14198.79864	16633.25064	17646.98162	14883.88908	11601.35892	22619.74143	23018.05673	14920.53215	16018.80875	14430.11043	15425.02358	23121.99339
12.02_717.1491m/z	717.1490671	12.01765	neg	S1P Lyase Fluorogenic Substrate	64808	Unclassified	Unclassified	Unclassified			38.4	0	2M-H	C14H18NO8P	3.254484938	20590.92234	14456.41942	18008.18651	17325.56421	16626.80934	15754.84911	14796.36176	17034.2198	16579.38275	15645.6847	17048.89204	20348.37472	18048.56825	17987.6388	18271.02393	21960.10116	19645.5606	19140.10714	17889.1256
12.04_356.1867m/z	356.1866595	12.03886667	neg	ADIPHENINE	44326	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C20H25NO2	-0.232844052	1261.091466	1308.779091	1334.260728	910.9017984	1130.579123	1063.022302	1289.699675	1209.047551	1216.166672	1550.198919	1385.352102	1502.528133	1437.347859	1440.545001	1676.092037	1572.527287	1470.859526	1320.469282	1215.33618
12.16_258.2786m/z	258.2786037	12.15825	pos	2-Hexadecanone	HMDB0031052	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.4	0.799	M+NH4	C16H32O	-2.237322545	7272.463369	6865.212581	7704.01772	7697.56214	7075.268494	7431.127017	6847.577944	7518.515799	7098.323019	7732.206634	7626.758726	7728.228035	7462.482957	7328.284016	7654.708189	8000.478232	7602.47127	7276.674314	7095.346192
12.35_395.2199m/z	395.2198809	12.35293333	neg	"(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate"	HMDB0059632	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C15989	38.4	0.0635	M-H	C18H37O7P	-1.344859355	75176.22089	65207.12073	76458.45659	91136.72863	77977.90522	88353.10205	82003.64485	78727.13753	65163.70831	68668.2772	92155.41992	80425.78135	89351.079	90497.75906	87560.91915	83167.39746	85772.64768	88090.18511	95464.02966
12.44_447.2961m/z	447.296097	12.43801667	neg	Aspergillic acid	68394	Unclassified	Unclassified	Unclassified			38.4	0	2M-H	C12H20N2O2	-3.529733821	3613.277293	2923.079413	3826.416375	3459.492926	3652.033828	3636.994712	4139.254674	3712.888279	3298.425191	3930.35978	3415.607031	3601.384595	3631.571918	3853.460946	3999.080378	3408.93262	3918.105782	5288.346597	4210.049581
12.77_354.3012m/z	354.3012103	12.77473333	neg	N-Hexadecanoylpyrrolidine	88667	Organoheterocyclic compounds	Pyrrolidines	N-acylpyrrolidines			38.4	0	M+FA-H	C20H39NO	-0.508892963	1552.193519	1261.12406	971.3845787	1791.7415	1137.595061	1281.67062	1011.980134	536.0098211	736.4138737	878.5843863	1042.861381	1730.333805	1255.558688	1141.13575	1165.982161	1923.027996	1543.344581	1663.560117	1545.942244
13.00_402.3010m/z	402.3009932	13.00416667	neg	Oleyl Anilide	44935	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C24H39NO	-1.048263319	869.0723308	740.6352931	871.0493292	1668.544773	1059.554676	918.1379639	666.4987549	848.9661507	827.3060348	377.4727664	820.3073017	2178.299016	1294.987702	1264.98011	1025.344168	1601.683816	953.2667776	1703.314681	1073.26026
13.17_367.3352m/z	367.3351685	13.16601667	pos	24-Hydroxycholesterol	HMDB0001419	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	***	C13550	38.4	0	M+H-H2O	C27H44O	-1.975473453	27963.2879	15477.88272	24712.26988	30184.34848	25636.95045	26725.20659	26296.86839	31976.49444	53314.74915	59846.76118	19689.23044	17932.52669	46606.86071	21447.44188	21462.09664	18519.95719	20985.72314	26430.02842	20130.2094
13.40_898.4901m/z	898.4901028	13.40031667	neg	"PS(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	HMDB0112704	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	*		38.4	1.39	M+FA-H	C48H72NO10P	2.947710068	100471.6035	137171.9906	109848.6566	116058.5756	119623.6624	106189.7433	103215.8412	144727.5458	193258.7141	210707.4525	156418.7843	130589.9874	34541.62321	26507.7815	104273.4009	203542.1458	160553.5362	160740.6267	117767.634
13.79_152.9954m/z	152.995394	13.79233333	neg	Hydroxyacetone phosphate	65991	Unclassified	Unclassified	Unclassified			38.4	0	M-H	C3H7O5P	-2.8541528	21212.15173	21504.96833	21476.82781	20994.45087	21326.96994	20888.19815	22361.71488	20930.82141	20873.04367	21424.62366	23258.36876	20681.51165	20383.31131	20743.722	21026.60773	23613.58287	20698.96595	22793.88258	20266.223
14.15_109.0762m/z	109.0762332	14.14813333	pos	2-Ethylpyrazine	87969	Organoheterocyclic compounds	Diazines	Pyrazines	*		38.4	0	M+H	C6H8N2	1.929240639	3242.281742	2394.456596	2341.51942	2510.40795	2496.839612	2332.960671	2616.28092	3351.404871	2942.840234	2986.939212	3221.045271	2345.268631	2365.282666	2472.038778	2581.773093	2520.264934	2661.909802	2294.631206	2227.975491
14.30_144.9902m/z	144.9902282	14.3008	neg	Methyl isothiocyanate	HMDB0034106	Organosulfur compounds	Isothiocyanates	Unclassified		C18587	38.4	0	2M-H	C2H3NS	1.811461076	297968.7903	300492.638	296189.8899	303125.2259	300499.5635	304824.4407	313818.6887	313672.5088	307603.3611	312608.9504	323577.8903	282272.4627	281758.6791	287942.4358	298854.3384	314883.533	295380.5019	313042.0373	288795.2406
15.03_152.9954m/z	152.9953876	15.0327	neg	"Glycerol 1,2-cyclic phosphate"	66085	Unclassified	Unclassified	Unclassified			38.4	0	M-H	C3H7O5P	-2.895342308	1376.838437	1256.24097	1401.210316	1237.317638	1380.445915	1371.725759	1756.389514	1416.142967	1486.59348	1130.333771	1275.878332	1256.807691	1698.536485	1447.783277	1243.85006	1191.758912	1602.431233	1635.43601	1836.933188
15.23_354.9836m/z	354.9836389	15.22701667	neg	"Ribose 1,5-bisphosphate"	HMDB0011688	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01151	38.4	0	M+FA-H	C5H12O11P2	-0.156258964	3276.65545	3748.027367	3272.80702	4147.419393	3108.377664	3339.839547	3421.735129	3514.07967	2875.923594	4608.909603	4213.593776	2537.692189	3202.342242	3548.876796	3489.336257	4023.633506	3722.093356	3799.001611	3114.275145
15.55_124.0868m/z	124.0867892	15.54558333	pos	DL-Histidinol	63491	Unclassified	Unclassified	Unclassified			38.4	0	M+H-H2O	C6H11N3O	-0.953227484	16705395.64	16432954.27	16459901.49	17399704.2	16747343.89	15571437.72	16316575	16496055.71	17658074.34	17332753.29	17011938.81	16116329.23	15350145.63	14790574.76	16222667.08	16987651.48	15385493.14	16602354.01	15362194.63
15.57_131.0701m/z	131.0701491	15.5656	pos	Pantoic acid	309	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C00522	38.4	0	M+H-H2O	C6H12O4	-0.820432135	1430.745981	1057.185731	1225.588068	2106.454745	1182.630438	1301.283648	1227.230725	1491.438608	1231.333107	1480.524905	1112.302663	1143.676192	1181.62604	1065.095949	1913.08569	1313.978894	1090.008341	1393.336925	1267.433673
15.76_167.0336m/z	167.0335811	15.75651667	pos	Phthalic acid	HMDB0002107	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	**	C01606	38.4	0	M+H	C8H6O4	-1.830909689	20266.54913	19396.34962	19516.917	20065.26568	19452.30186	20460.29594	20712.15415	18930.69706	19605.61169	18546.86054	22922.47229	18679.26173	19775.13399	19313.96111	19513.39338	19540.76507	18920.93262	18484.17229	18658.11697
2.02_117.0912m/z	117.0911919	2.021083333	pos	Methyl 3-methylbutanoate	LMFA07010950	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.4	0	M+H	C6H12O2	1.601252914	641.7972782	690.6276468	935.0683136	612.567754	570.7065148	512.0644353	597.1835158	549.0659114	472.4771305	726.4304797	637.2967137	1154.154302	806.5728879	947.4599794	1030.683413	976.3061514	1563.632314	512.4119976	418.9514269
2.06_397.1100m/z	397.1100308	2.057533333	pos	Secologanate	64048	Unclassified	Unclassified	Unclassified			38.4	0	M+Na	C16H22O10	-1.301242474	12212.25413	13492.96108	13083.18548	11542.40063	13406.24126	11050.57149	7590.102967	11783.74332	6413.355657	11315.10683	10568.08344	15532.90712	13122.36469	13969.81801	13090.70233	13592.73116	11499.68999	7160.361141	14213.28189
2.10_352.1150m/z	352.1150207	2.097366667	neg	"2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylpropanamide"	HMDB0142220	Benzenoids	Phenols	Nitrophenols			38.4	0	M+FA-H	C14H17N3O5	-0.009236625	1058.185557	852.8348856	924.0929871	1022.441697	902.1060076	1331.389926	1264.135975	752.1481023	749.2676172	1609.843252	574.290069	1501.547427	1266.335265	1105.297047	1172.634658	809.427767	822.3356126	1150.189361	566.5685332
2.14_235.0719m/z	235.0719129	2.140316667	neg	Nicotinamide riboside	5818	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C03150	38.4	0	M-H2O-H	C11H14N2O5	-2.036690418	507.8264652	418.6352743	523.8354121	394.6338321	431.6235635	429.7473799	398.6353	143.4065753	404.3291161	489.0279764	233.2541228	407.3791103	286.3836747	258.0519068	390.3734934	316.2597541	452.0329147	528.8105399	650.2769055
2.51_260.1603m/z	260.1602613	2.509066667	pos	Hydroxyamobarbital	497	Unclassified	Unclassified	Unclassified			38.4	0	M+NH4	C11H18N2O4	-0.91391421	2441.220657	2646.68046	2743.922884	1999.42643	3602.431967	2850.922757	3945.353497	1768.256378	946.4819849	3450.601982	2323.368309	1626.691762	3417.27831	2910.006796	2797.009904	2225.936136	1968.614255	1845.349751	3593.359341
2.80_127.0391m/z	127.0390577	2.803866667	pos	(E)-hex-2-enedioic acid	45913	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.4	0	M+H-H2O	C6H8O4	0.605464858	2509.134128	2892.565979	2531.348742	2621.278785	2570.650652	2334.832991	2610.102063	2941.773381	2557.230877	2450.301777	2621.656313	2839.336493	2754.764673	2765.46631	2805.672292	2829.41972	2297.568196	2803.52789	2420.158079
3.03_232.1185m/z	232.1184977	3.031216667	neg	N-n-Hexanoylglycine methyl ester	5799	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C9H17NO3	-2.931849349	794.1140371	836.1327463	857.1352673	478.2807877	1412.21275	1172.06717	392.8439278	1947.527771	1318.014397	1023.542784	635.8411654	769.8788428	605.1856349	688.0869187	621.1027701	720.4799343	867.3708171	914.9424237	649.0310108
3.39_149.0448m/z	149.0448429	3.393916667	pos	"D-Xylono-1,5-lactone"	62415	Organoheterocyclic compounds	Lactones	Delta valerolactones	**	C02266	38.4	0	M+H	C5H8O5	2.655685989	3925.873487	3689.840633	3600.904618	3766.838779	3585.153618	3468.725925	3819.774788	3743.959991	3454.593655	3791.053661	3400.611116	4362.319317	3839.803153	3492.334283	4082.82881	3302.162662	3470.819375	3790.766713	3397.111379
3.53_255.0960m/z	255.0960015	3.534466667	neg	Dinorpromazine	2142	Unclassified	Unclassified	Unclassified			38.4	0	M-H	C15H16N2S	-0.553048097	569.9986818	760.1591371	754.2477779	913.7378968	691.8046427	772.8828351	901.0224959	647.6363263	591.2018001	725.8660347	647.7598274	640.5674775	719.5354288	861.2969196	900.4498211	768.6146621	699.9212081	905.731283	840.700038
3.54_159.0683n	160.0755168	3.538083333	pos	N-Hydroxy-1-aminonaphthalene	HMDB0062503	Benzenoids	Naphthalenes	Unclassified	**	C14789	38.4	0	"M+H-H2O, M+H"	C10H9NO	-0.827752338	6000.712649	5165.594102	6137.584579	6240.279777	5944.022743	6620.724777	5931.912694	5293.9736	4753.017085	6346.472934	6433.732376	5957.275553	5938.619532	6794.123927	6989.485848	6174.720133	6382.835865	6697.323373	7340.744955
3.60_309.2034m/z	309.203382	3.598316667	pos	9-hydroxy-16-oxo-hexadecanoic acid	LMFA01170059	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.4	0.904	M+Na	C16H30O4	-0.867074461	6860.172295	7384.234922	6321.709544	6715.848389	6156.32257	6963.201204	6775.348728	6720.941594	6136.973022	6330.561854	7004.343677	6870.503235	7182.965187	6177.304916	6627.781122	6961.542776	6154.430458	6298.721129	6244.402661
3.64_240.0090n	285.0071665	3.640283333	neg	"1,2-Dihydroxynaphthalene-6-sulfonate"	71140	Unclassified	Unclassified	Unclassified			38.4	0	"M+FA-H, 2M-H"	C10H8O5S	-1.169555068	13894.45274	12494.05261	14018.82306	13544.10271	14860.67279	14075.15478	14146.6513	13038.60638	12602.72098	15259.28572	13938.01187	10124.84029	14217.89939	13440.06255	15127.03462	15390.58038	15176.56276	11578.9892	13238.71886
3.68_127.0391m/z	127.0390614	3.678166667	pos	(E)-2-Methylglutaconic acid	6584	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.4	0	M+H-H2O	C6H8O4	0.630863711	1271.060162	1349.540207	1276.202728	1404.987067	1305.196537	1211.016588	1288.442866	1555.814207	1078.32634	1174.503629	1000.650809	1535.626891	1134.057918	1149.20034	1054.108765	1455.642904	903.470589	1054.905785	1237.657979
3.79_392.1199m/z	392.1199159	3.786533333	neg	Dide-O-methylsimmondsin	HMDB0041207	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.4	0	M+FA-H	C14H21NO9	0.235579025	4111.227091	4312.423068	4465.00464	4072.127815	4373.074162	4614.303689	4148.867044	4060.022977	4310.255523	4338.369217	4983.552061	3659.937574	4291.970656	3943.654809	4455.025406	4300.802273	4255.309434	4783.729245	3760.49782
3.85_294.9532m/z	294.9532255	3.850883333	neg	(2R)-O-Phospho-3-sulfolactate	69090	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C3H7O9PS	0.732932267	931.1415109	969.314704	889.4068852	1011.75301	1278.556932	1625.624142	1049.679894	1200.597476	1161.746753	1168.699832	1410.176167	965.1562703	999.3164779	1049.228424	1114.58846	1169.92891	1158.364533	1167.152789	902.4475672
4.06_175.1188m/z	175.1187628	4.0574	pos	V-PYRRO/NO	62984	Unclassified	Unclassified	Unclassified			38.4	0	M+NH4	C6H11N3O2	-1.205484197	2441.38368	2986.657017	2598.848648	2829.970912	3298.963684	2879.029544	2366.322301	1804.358206	1923.386149	1366.607368	2594.393887	2341.267499	3122.971525	2437.061282	3158.280223	2873.029472	3100.802351	2493.269942	1997.243454
4.08_302.1960m/z	302.1960061	4.077516667	pos	Dihydroartemisinin (DHA)	HMDB0061088	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	*		38.4	0	M+NH4	C15H24O5	-0.680271042	1304.056924	2155.056526	2240.182513	956.6906847	2812.953539	6852.535221	818.6410838	1870.938007	3693.380311	6230.624714	914.4751085	2719.345748	1289.300163	882.5407535	549.0440405	778.9425917	103.0620251	519.435555	1590.07684
4.20_363.1197m/z	363.1197366	4.204283333	neg	"Hexadecanoic acid, 2-iodo-; 2-Iodohexadecanoic acid"	74846	Unclassified	Unclassified	Unclassified			38.4	0	M-H2O-H	C16H31IO2	1.830404058	657.8618698	703.9875718	618.7722253	349.9293198	1118.902006	489.6306728	376.3378113	465.2823712	516.8069134	632.1392347	405.7229226	809.6739686	217.7900064	308.8587025	446.3905275	457.8470952	457.4020669	494.8552882	647.5817548
4.27_479.0949m/z	479.0949308	4.267633333	neg	(L-Seryl)adenylate	66337	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C13H19N6O9P	3.720562656	672.688536	525.5949186	767.7382758	889.1653105	622.4279021	812.810302	677.6097625	502.0640188	589.0416675	864.0455733	697.1363242	711.4392607	714.112106	611.7100077	672.5859234	687.2933723	675.3475862	1017.754252	819.4275119
4.37_287.0628m/z	287.0627664	4.36835	pos	Glycineamideribotide	HMDB0002022	"Nucleosides, nucleotides, and analogues"	Glycinamide ribonucleotides	Unclassified	**	C03838	38.4	0.748	M+H	C7H15N2O8P	-3.887701464	1195.973383	1104.52904	1196.918983	343.6640292	186.4474502	309.7038805	613.2945011	295.016529	3317.136504	616.3930838	352.6286558	914.1569681	3778.466882	262.6892179	417.972758	276.0393272	1361.58072	464.3212607	1125.568282
4.53_175.1187m/z	175.1186797	4.532133333	pos	Amino acid(Arg-)	63425	Unclassified	Unclassified	Unclassified			38.4	0	M+H	C6H14N4O2	-1.564669509	2447.062999	2764.187918	2485.133063	2765.015308	2995.176921	2636.372907	2013.01014	2082.00262	2817.958759	1137.495305	2359.969056	2071.044843	2995.054152	2553.538881	3725.375746	2926.959975	3189.51618	2500.49433	2439.478554
4.72_195.1378m/z	195.1377642	4.717383333	pos	Vulgarole	90432	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.4	0	M+H-H2O	C12H20O3	-0.905224345	3837.633236	3345.04987	3044.20423	3185.741882	2899.220965	3212.457279	3372.090581	3295.348305	3867.047834	3368.778893	3196.224996	3568.245745	3154.266634	3208.498933	3644.995062	3526.630672	3433.612418	3271.900966	3139.752819
4.74_169.0493m/z	169.0493364	4.738216667	pos	Vanillic acid	HMDB0000484	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	***	C06672	38.4	0	M+H	C8H8O4	-1.182644052	1053.319418	989.7440675	797.7014249	902.8497486	694.1537225	838.1321145	890.7248951	931.02579	782.6710801	772.1235919	871.2300629	893.7295076	789.9161665	807.5736343	909.6122355	923.0098728	711.0128255	867.4319854	840.0600674
4.88_220.0965m/z	220.0964981	4.878833333	pos	"2-Naphthaleneacetic acid, 6-hydroxy-"	1372	Unclassified	Unclassified	Unclassified			38.4	0	M+NH4	C12H10O3	-1.591406133	1549.202509	1641.581732	1383.804588	2685.319615	1194.374903	1812.843938	1328.598615	1068.648286	557.1805698	1096.46677	1325.467129	1479.068765	1347.334031	1638.54005	1827.769432	1818.981842	2114.58402	2813.015987	2218.813944
5.27_209.0786m/z	209.0785937	5.271183333	neg	D-Serine	HMDB0003406	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00740	38.4	0.167	2M-H	C3H7NO3	3.255495711	2981.683537	2915.591659	3219.69021	2209.674374	2732.718886	2724.188638	2512.91852	4747.529747	2652.251448	2198.215533	2416.405277	2251.61038	2521.281051	2133.592995	2500.71901	2227.324774	2181.728779	2358.595676	2123.936352
5.56_315.1332m/z	315.1331902	5.558333333	pos	Longifolonine	67811	Unclassified	Unclassified	Unclassified			38.4	0	M+NH4	C17H15NO4	-2.501719859	539.1078036	632.6060935	586.516571	535.5693084	1714.216079	881.5396875	606.7926343	586.162794	678.891129	848.6419487	406.5273172	856.9290311	374.4065873	368.1331758	626.9254059	642.9114725	370.8429552	1062.412633	973.8830872
5.73_735.2371m/z	735.2370718	5.730166667	neg	Disuccinimidyl Suberate	64788	Unclassified	Unclassified	Unclassified			38.4	0	2M-H	C16H20N2O8	0.566386882	2451.817604	2482.219976	2314.733928	2133.794708	4132.46347	3889.829394	3011.98122	311.7066993	4445.935613	3194.613337	2737.937808	1342.898563	2136.244865	1570.330531	9391.03788	2005.204172	2876.387328	4013.332309	1350.965509
5.94_354.1920m/z	354.191994	5.93855	neg	Nadolol	1382	Benzenoids	Tetralins	Unclassified			38.4	0	M+FA-H	C17H27NO4	-0.702523832	628.566537	688.5331216	666.4070157	439.6889095	626.2364039	579.4999699	1023.926131	536.7957612	612.2164716	1281.803671	821.9706613	610.7917477	522.3831976	472.0023289	456.4307944	919.0282918	505.1579899	600.2963057	448.6644963
6.17_423.1483m/z	423.1483465	6.17	neg	Cortisol 21-sulfate	HMDB0062779	Lipids and lipid-like molecules	Steroids and steroid derivatives	Sulfated steroids	*		38.4	2.7	M-H2O-H	C21H30O8S	0.110183501	4199.684001	5619.847866	4819.907796	5245.993333	5369.48173	4652.168258	4299.673738	3331.087045	533.6832502	4545.10793	5535.688358	814.836229	3906.4592	3690.250196	6573.162933	5137.422771	6401.898013	5060.943574	2270.203043
6.21_257.1756m/z	257.1756189	6.2097	neg	Methyl (E)-2-dodecenoate	87359	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.4	0	M+FA-H	C13H24O2	-1.008345107	659.0261671	781.7916079	694.5847451	943.7711656	515.2114664	1238.808153	755.3195361	683.6784842	675.9084236	1119.357096	674.8665215	579.6930173	797.4578028	721.4097069	721.2589007	461.2841018	1044.919935	1031.835668	495.6699166
6.64_667.2498m/z	667.2497652	6.640966667	neg	Mitomycin	HMDB0014450	Organoheterocyclic compounds	Indoles and derivatives	Indolequinones		C06681	38.4	0	2M-H	C15H18N4O5	2.397645093	2173.393905	1966.206472	2027.991058	309.2211186	1161.47719	1874.307008	590.6568634	1328.939252	4872.524941	1432.881371	518.8720717	1579.651039	692.3684124	323.5194327	15147.83969	387.8354267	1440.951485	3701.117901	944.362083
6.68_263.0593m/z	263.0593433	6.682883333	neg	"5,6-Dihydro-5-fluorouracil"	HMDB0060402	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C16630	38.4	0	2M-H	C4H5FN2O2	-1.482771948	407.8442996	440.072439	425.3839806	234.5301398	731.1203379	619.2757176	435.932168	494.7823933	338.4646106	712.7642354	283.8511741	873.8306762	292.8686842	297.5748849	251.3245607	390.9354332	276.7385186	276.4837911	256.64889
7.28_363.2178m/z	363.217779	7.281783333	neg	15-KETE	HMDB0010210	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C04577	38.4	0	M+FA-H	C20H30O3	0.255555102	946.9814392	840.5473488	1041.139421	802.668974	276.4226857	860.5381889	880.3439816	1484.65215	161.1064884	986.0703384	1100.539908	1262.447136	1323.758137	1251.938285	1361.109756	1045.372199	1500.616246	1376.47315	697.8703107
7.47_353.2241m/z	353.2240632	7.469116667	neg	2-(Ethylamino)propiophenone	2010	Unclassified	Unclassified	Unclassified			38.4	0	2M-H	C11H15NO	1.725983466	1902.046423	1273.372834	1396.048677	1622.013122	1336.204477	2446.410763	993.7419447	2041.499491	986.8207438	1425.445535	956.4652035	1149.280277	3200.533649	2157.650816	1777.310005	1377.63081	1237.579981	1425.323696	1895.107254
7.58_239.1285m/z	239.1284786	7.5838	neg	"(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate"	HMDB0035801	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.4	0	M+FA-H	C12H18O2	-2.081329507	655.6396984	666.6467832	620.1609785	659.6661029	722.0852749	474.58782	1074.584979	734.4729218	875.8806483	748.7268538	844.5036705	809.205387	829.3671615	964.056628	806.6426407	821.7277329	681.1728	667.7840128	1441.92659
7.73_333.2072m/z	333.2071739	7.732583333	neg	Androstanedione	5855	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	**	C00674	38.4	0	M+FA-H	C19H28O2	0.141715961	401.5099806	416.7782345	288.6016655	472.2714082	95.01287061	250.7891587	150.1799769	769.8555276	231.7342602	121.8343115	288.2413346	1404.288295	203.9256087	211.2749854	270.7983997	234.572748	342.4896668	502.2981681	300.5637997
7.75_210.1127m/z	210.1126976	7.749183333	neg	Isoproterenol	HMDB0015197	Benzenoids	Phenols	Benzenediols	**	C07056	38.4	0	M-H	C11H17NO3	-4.117883613	320.0225915	224.3990733	295.8863068	296.5929463	23.60723998	80.17880883	389.7415757	448.1147316	846.8730775	42.78081822	518.399726	1020.410027	38.02021206	27.17034181	162.5547297	137.1101903	187.1281262	333.5495332	36.80029459
7.75_566.2770m/z	566.277042	7.749183333	neg	Dihydrodeoxystreptomycin	2507	Unclassified	Unclassified	Unclassified			38.4	0	M-H	C21H41N7O11	-3.678371808	3503.322457	3411.464718	3019.413616	1193.766177	3593.613266	1470.766742	1264.595864	2578.667891	2062.800675	2104.628008	1919.455539	469.0664088	1794.741955	1528.805104	23138.5445	1738.686995	3490.296881	7196.011435	2262.552309
7.76_457.2267m/z	457.2266816	7.763766667	neg	3-Sulfodeoxycholic acid	HMDB0002504	Lipids and lipid-like molecules	Sphingolipids	Ceramides	*		38.4	2.99	M-H	C23H38O7S	0.291333192	801.2430033	583.6525294	684.0717201	295.2583504	79.87609519	81.52339663	527.4149029	0.000297236	0.000297236	647.8842427	492.1049909	0.000297236	0.000297236	91.7441596	9413.555266	323.7398521	1070.636494	2902.242528	93.88969554
7.96_543.2553m/z	543.2553098	7.9625	neg	Perindopril glucuronide	1796	Unclassified	Unclassified	Unclassified			38.4	0	M-H	C25H40N2O11	-1.146206302	1533.23355	968.1530567	1098.949577	1064.910014	1023.826997	344.4881137	522.6266115	0.000297236	0.000297236	2544.789329	778.2999355	0.000297236	1627.735235	1163.757688	3521.359975	506.2286176	1570.366571	1903.298764	3249.889648
8.05_255.2314m/z	255.2314182	8.05	pos	(E)-6-Hexadecenoic acid	HMDB0031053	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.4	0	M+H	C16H30O2	-1.724403023	3353.675504	3223.680417	3295.050916	3260.704702	3354.033153	3501.352203	3374.625082	3450.30107	3113.664657	3731.383012	3731.360468	3919.977775	3298.476163	4601.466248	3645.206676	3079.495068	3307.296913	3272.877704	3308.692808
8.39_343.2948m/z	343.2948389	8.388133333	pos	N-pentadecanoyl-L-Homoserine lactone	64795	Unclassified	Unclassified	Unclassified			38.4	0	M+NH4	C19H35NO3	-2.092568942	6680.987344	6412.813619	7691.889014	6753.976271	5270.98289	5478.074288	6551.654358	5296.560842	6718.108517	5862.006285	6987.888846	8226.166253	5274.203683	32374.15577	5776.463861	6264.953461	8476.030972	7333.432766	7461.968812
8.53_341.1792m/z	341.1791692	8.530116667	neg	S-Farnesyl Thioacetic Acid	43440	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C17H28O2S	-0.117672343	1171.217651	1074.745705	1209.012062	1100.452903	780.878952	798.6468883	857.9640111	848.2409075	659.6469219	802.8501428	838.1438883	750.4593284	758.550524	805.0929065	944.4430692	565.3755934	1098.752176	1316.136252	589.9561163
8.64_393.2649m/z	393.2649406	8.63775	neg	LARIXOL ACETATE	43738	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C22H36O3	0.84057883	196.4072824	186.6827116	246.0364857	186.5040797	0.000297236	124.4942994	308.5240016	0.000297236	0.000297236	493.4382476	70.43054853	0.000297236	52.09365447	0.000297236	3082.455533	191.875666	210.2017792	1042.369004	0.000297236
8.83_509.3359m/z	509.3359444	8.834516667	neg	SM(d18:1/0:0)	41561	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	**	C03640	38.4	0	M+FA-H	C23H49N2O5P	-0.361405193	4154.931442	5819.213813	4032.929363	3694.652024	3438.144597	3068.794885	3890.135409	800.2298506	787.9152167	3195.679912	2605.081954	2072.403857	3489.213043	3113.979752	3435.050202	2461.016817	4171.967269	2750.517424	2949.6324
9.27_211.0353m/z	211.0352675	9.2672	neg	4-Hydroxy-3-nitrosobenzamide	69313	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C7H6N2O3	-4.682007731	790.715168	752.1587192	967.0049146	765.3869922	720.7356267	732.9966447	965.8056922	679.7633295	805.7320391	1020.659334	719.5226694	761.6306525	869.3285625	845.4354548	960.6220601	905.6084577	721.4398183	813.634505	715.9967806
9.29_120.0557m/z	120.0557003	9.29125	pos	3-Pyridylamide oxime	45426	Unclassified	Unclassified	Unclassified			38.4	0	M+H-H2O	C6H7N3O	0.559575069	1280.730562	949.3933329	952.2292792	983.3124288	754.2344728	1135.907624	919.6769207	991.8185025	1007.089951	1064.458098	1119.27246	870.7213259	992.8896937	907.676918	1001.444439	1168.677297	999.0734421	1083.899647	918.7629239
9.60_360.2756m/z	360.2755727	9.603533333	neg	"(4OH,8Z,t18:1) sphingosine"	53909	Unclassified	Unclassified	Unclassified			38.4	0	M+FA-H	C18H37NO3	0.081654281	979.3481916	897.5391795	874.2932034	1612.348263	1604.867159	738.6897137	1221.649618	1130.367258	1039.630703	1030.057058	1038.858856	905.0627187	905.2186277	874.2118535	1442.162628	1261.141541	826.0698813	872.8018138	1210.972705
9.73_198.1850m/z	198.1850409	9.7295	pos	Homodihydrojasmone	87473	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.4	0	M+NH4	C12H20O	-1.109636244	1537.389994	1805.125425	1625.832985	1425.033598	1862.565261	1261.317745	1963.312426	1952.827115	1971.5513	1567.826727	1739.423773	1575.258358	1153.082251	2150.212209	2113.191554	1858.761788	1658.83101	1645.867108	1938.093519
9.77_298.1411n	281.1377898	9.77185	pos	Neoilludin A	73450	Unclassified	Unclassified	Unclassified			38.4	0	"M+H-H2O, M+H"	C15H22O6	-1.879609752	6103.13951	6727.188069	6473.404937	4595.239931	5994.838158	4702.697975	4194.127082	9396.742111	4826.834596	4763.279316	5252.843891	5917.040245	6396.753026	5459.400641	3788.934674	4571.768932	4747.233723	5128.178966	4908.808474
9.90_544.3358m/z	544.3357517	9.898883333	pos	PC(18:1(6Z)/0:0)	LMGP01050029	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			38.4	22.1	M+Na	C26H52NO7P	-3.085448661	10624.32626	9528.043929	10263.31491	10944.33908	11813.72109	10901.44385	14436.1156	12829.13294	10858.38019	13741.60652	12230.26004	14628.30962	14495.64284	14000.13711	13809.15473	12630.60815	13009.70084	11162.85971	13557.10274
9.96_522.2628m/z	522.2628008	9.9571	neg	p-hydroxyfosinoprilat	2977	Unclassified	Unclassified	Unclassified			38.4	0	M-H	C27H42NO7P	0.359040506	2003.825881	1486.077479	1475.697373	1836.691154	3893.952485	4167.302152	1689.998445	706.6753131	867.425108	3987.421067	2246.188258	1004.981683	5865.511245	4563.908681	3195.102028	2259.865329	2404.128656	2756.422985	5217.140277
0.06_133.0857m/z	133.0857348	0.06475	pos	Hydroxyisocaproic acid	HMDB0000746	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.3	0	M+H	C6H12O3	-1.407015982	3723.666642	4084.571327	4698.638855	4468.073483	4460.467613	5021.259057	5116.029569	5393.315762	3710.410082	3979.537658	4401.064221	4173.367553	3525.339336	2902.887568	3981.496093	3714.169792	3357.41944	5454.546071	4520.755893
0.27_213.2210m/z	213.2210065	0.27345	pos	2-Tetradecanone	HMDB0030924	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.3	0	M+H	C14H28O	-1.345024124	40201.93142	37991.51202	39457.96097	40046.48146	39450.13144	41599.29869	39818.6768	43417.83759	40946.18831	41751.69465	41757.71886	38293.43912	38404.94499	38691.75255	40986.05025	42548.06483	39132.93453	45329.58306	39001.32065
0.31_203.1792m/z	203.1791902	0.30925	pos	"2-trans,6-trans-Farnesal"	HMDB0060356	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	**	C03461	38.3	0	M+H-H2O	C15H24O	-1.076116068	10084.55067	7397.036331	8761.170675	8231.836837	7999.886651	8514.829541	8096.32279	9352.52147	9207.085215	9146.889782	8935.281343	9870.921959	9752.385778	8343.283882	8734.821051	9628.163943	8757.300807	8573.737833	7979.073624
0.40_199.2054m/z	199.2053649	0.400033333	pos	tridecanal	LMFA06000074	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*		38.3	0	M+H	C13H26O	-1.397759013	46132.15628	42080.10153	43815.82893	45204.90176	43432.66924	46593.79479	46409.13973	47730.8446	44668.1024	45682.17012	45381.00603	41572.73773	43962.47666	42213.09646	44736.01389	45718.07553	42709.89039	47368.01367	44777.09925
0.44_175.1479m/z	175.1478879	0.439416667	pos	1-Methyl-4-(1-methyl-2-propenyl)-benzene	HMDB0061824	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.3	0	M+H	C13H18	-1.372810194	2628.369345	2269.574488	2004.781069	2356.905523	1863.398682	2405.519885	2295.746282	2134.395188	2247.305624	2342.245168	2066.156958	2087.119923	2497.849876	2074.15579	1980.957261	2020.871846	2216.099301	2156.330442	1834.011159
0.44_211.0752m/z	211.0752177	0.439416667	pos	4'-Hydroxy-4-biphenylacetic acid	2678	Unclassified	Unclassified	Unclassified			38.3	0	M+H-H2O	C14H12O3	-0.60637198	6671.909334	6781.619427	7625.945973	7094.073428	7522.750909	7159.137222	7498.263111	6753.986202	6588.475997	8069.458559	7702.248463	6153.392868	7303.487526	6346.450796	6632.762772	7243.640587	6643.006227	6476.338511	7253.381842
0.58_158.9774m/z	158.9773786	0.582133333	neg	Allitridin	HMDB0031154	Organosulfur compounds	Organic trisulfides	Unclassified			38.3	0	M-H2O-H	C6H10S3	4.24943457	93910.57702	119409.0378	104230.9899	93043.86316	95901.46993	105990.318	119093.907	109154.1074	109791.708	119313.0896	109188.6122	81933.68327	97333.78609	102131.0282	103800.6299	99540.47456	104192.3422	96894.36736	110612.2568
0.59_141.0547m/z	141.0547058	0.589883333	pos	3-METHOXYCATECHOL	44614	Unclassified	Unclassified	Unclassified			38.3	0	M+H	C7H8O3	0.608783923	769.9845902	600.3282355	516.8325564	972.2559959	1004.79388	823.5437509	460.7033566	539.9055709	496.3626339	770.9283497	822.9139281	441.7671366	875.8029288	927.1405022	337.1546276	462.1710496	956.9641882	513.8743572	439.4567207
0.59_216.9510m/z	216.9510482	0.589883333	pos	2-Iodophenol methyl ether	66002	Unclassified	Unclassified	Unclassified			38.3	0	M+H-H2O	C7H7IO	0.742172748	1938.994868	2068.633324	2203.577682	1556.965174	1508.586479	1849.025707	2722.027049	1875.173774	2293.653265	2610.848162	2181.795928	199.5539935	1757.492293	1616.792916	613.1342095	1847.23238	1407.465164	1495.893703	3251.439996
0.61_225.1232m/z	225.1232311	0.60835	pos	HYDRASTININE	44038	Unclassified	Unclassified	Unclassified			38.3	0	M+NH4	C11H13NO3	-0.664761527	5414.268711	5497.841293	6220.504452	6400.140295	6156.637945	5852.535998	4765.654598	3727.91431	4720.555695	5251.895077	5133.792294	2763.981677	7319.344098	6760.766652	4627.058768	7310.602304	6777.606269	7962.016573	6041.982623
0.62_232.1297m/z	232.129737	0.623133333	neg	Methyl-L-NIO	45238	Unclassified	Unclassified	Unclassified			38.3	0	M+FA-H	C8H17N3O2	-2.899856109	460.0824212	585.292047	421.3865955	476.8996711	1676.077862	590.7316777	471.5324727	308.3746452	197.3816982	875.4014732	491.4673109	291.6679849	440.1368641	795.9791665	962.7338872	412.1123721	628.1955621	168.6188401	556.5775987
0.64_343.0253m/z	343.0253313	0.643516667	pos	5-(3-methoxyphenyl)-4-(sulfooxy)pentanoic acid	HMDB0127785	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.3	0	M+K	C12H16O7S	1.642488444	87401.9588	93016.6615	80101.23849	99254.16772	91779.70202	80654.05152	90742.72136	61738.53977	61042.03786	77006.30766	99610.06113	79163.81361	106727.3753	87546.17795	110227.8029	109285.3543	96737.20419	110765.1506	90903.45912
0.68_271.0399m/z	271.0398792	0.677733333	pos	D-Camphorsulfonic acid	2955	Unclassified	Unclassified	Unclassified			38.3	0	M+K	C10H16O4S	-0.899947464	7078.938293	6336.475005	8070.253265	6476.150801	8379.804927	9072.590609	12221.15263	5046.969962	3180.561374	9322.914034	10986.95334	0.000297236	6027.815208	11187.19417	0.000297236	6140.192439	13701.76313	7179.234766	5830.88143
0.71_192.0500m/z	192.0500263	0.712233333	pos	trans-Aconitate	3771	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	**	C02341	38.3	0	M+NH4	C6H6O6	-1.362828232	52817.47767	58774.12007	52785.48381	64030.30546	56802.28242	41611.03791	54050.59684	33605.89173	33147.41024	36500.96757	67557.79294	67952.22223	53177.23148	52756.26772	48037.97523	70736.34308	59556.61243	64968.94243	51560.52489
0.71_272.0674n	273.0746338	0.712233333	pos	"2beta-5,7-Trihydroxyflavanone"	LMPK12140219	Unclassified	Unclassified	Unclassified			38.3	4.14	"M+H, M+Na"	C15H12O5	-4.102196482	254967.0505	283174.7284	280862.5332	248437.0845	262620.4343	264877.629	281601.4437	262291.1515	271841.8685	273297.0138	260257.003	275895.0138	258386.1195	293323.5901	277322.2092	290162.2141	279149.4917	260017.9827	299151.5745
0.71_282.1185m/z	282.1184509	0.712233333	pos	3-Hydroxy-4-butanolide	90132	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.3	0	M+NH4	C10H16O8	0.408440226	72625.86655	71910.65742	69300.79003	84525.94019	58126.72399	55105.07195	60425.81587	82668.80515	81960.49784	53537.22725	65070.18069	139994.2492	58218.6294	83803.41464	79925.79339	85565.86861	74630.37131	70840.96188	89384.45395
0.73_146.0810m/z	146.0810335	0.729216667	pos	(S)-5-Amino-3-oxohexanoate	HMDB0012131	Organic acids and derivatives	Keto acids and derivatives	Medium-chain keto acids and derivatives	**	C03656	38.3	0	M+H	C6H11NO3	-0.93851882	8574.937843	9498.210456	9630.71788	9182.332626	9678.307461	9719.194565	7952.312696	11597.27158	11902.94315	7720.675259	7976.201105	15351.42609	7506.303072	8820.037988	8605.132158	9980.239848	8536.416845	10287.28536	9979.101663
0.76_183.0044m/z	183.0044108	0.764266667	neg	"2,4-DINITROPHENOL"	43994	Unclassified	Unclassified	Unclassified			38.3	0	M-H	C6H4N2O5	-1.814953075	13154.00295	13013.7091	13665.49111	17292.28443	11445.8599	13069.46145	11662.02352	12639.74518	11843.39592	10872.26055	12960.39524	15576.53458	13106.69671	11501.39065	14432.56268	13812.18722	15003.47548	16677.44969	13661.44789
0.78_258.0054m/z	258.0053512	0.781716667	neg	N'-Phosphoguanidinoethyl methyl phosphate	66196	Unclassified	Unclassified	Unclassified			38.3	0	M-H2O-H	C4H13N3O7P2	1.152550181	1114.800158	1242.264156	1239.643036	2165.455482	1288.778326	2313.883245	2425.146268	1526.089061	1616.711798	3049.314593	1711.503125	905.413044	1587.339435	2206.396389	1561.136717	1740.410904	1860.377924	1203.304033	1498.301823
0.78_295.0910m/z	295.0909773	0.781716667	neg	O-Carbamoyl-L-serine	65884	Unclassified	Unclassified	Unclassified			38.3	0	2M-H	C4H8N2O4	4.864054671	5514.268711	4787.421822	5173.494273	7896.299195	7707.158152	4804.051371	10596.2567	978.8998926	929.0049521	5403.031129	7274.020841	1706.568293	3753.820675	4475.029224	4698.223431	5302.261978	4128.159895	5993.52655	4413.440368
0.80_273.9993n	254.981415	0.801	neg	L-Iduronate 2-sulfate	65910	Unclassified	Unclassified	Unclassified			38.3	0	"M-H2O-H, M-H"	C6H10O10S	-0.771654381	76986.60981	71726.42241	75455.06222	80431.73766	112354.3312	58958.50415	82841.77181	207354.6979	82664.37318	66215.10459	64293.81028	56511.81812	75416.08235	74490.99501	85173.81986	60497.67685	78774.1389	54984.88831	70750.39909
0.80_523.0716m/z	523.071627	0.801	neg	Quercetin 3-O-glucuronide	HMDB0029212	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides	***		38.3	0	M+FA-H	C21H18O13	-2.753755518	1543.87732	1270.938613	1797.562622	892.0831322	5577.624458	1870.755992	9958.646305	0.000297236	0.000297236	6303.367698	4895.70834	0.000297236	4777.956472	3559.202927	2430.781011	2560.317417	2960.413626	0.000297236	0.000297236
0.82_136.0204m/z	136.0203845	0.819	neg	2-Fluoro-4-nitrotoluene	85170	Unclassified	Unclassified	Unclassified			38.3	0	M-H2O-H	C7H6FNO2	-0.20033749	478.5301909	521.9551038	362.941124	300.0656632	378.4422808	477.4790287	206.0179141	289.3801669	487.4145874	735.0176206	454.1421974	402.9297561	360.0695628	271.3170326	541.5263636	310.7361176	401.6516595	367.3372454	651.6919374
0.86_355.0082n	335.9903732	0.85685	neg	"2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine"	63907	Unclassified	Unclassified	Unclassified			38.3	0	"M-H2O-H, M+FA-H"	C7H11N5O8P2	-0.200639975	3695.881156	4245.142265	4819.080042	4487.387528	3920.747762	6517.416265	4243.227369	3205.248065	1787.428217	2950.027004	3589.384712	3869.404101	5997.167306	6123.855241	5060.757619	6185.913853	6316.901837	2811.496953	5978.758174
0.94_201.0371m/z	201.0371368	0.937716667	neg	"2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene"	HMDB0034857	Organic oxygen compounds	Organooxygen compounds	Ethers			38.3	11.3	M-H2O-H	C12H12O2S	-3.738688677	444286.7703	446849.5514	467900.6499	397264.6171	441685.7494	487861.9165	512242.0944	459316.0863	493673.7331	508648.4291	419018.4357	389270.3768	475057.5721	402141.5484	452366.4902	409115.8092	451099.9374	443721.6319	552430.2105
0.96_180.9164m/z	180.9163818	0.958133333	neg	3-Iodopropanoic acid	87526	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acids			38.3	0	M-H2O-H	C3H5IO2	3.978802238	2325.122465	1950.0554	2528.025123	2089.314463	2286.671014	1976.401471	2222.197258	1924.607513	1399.786571	1981.723584	2190.764615	1826.838705	2448.689128	2130.424342	2170.739845	2133.266605	2241.04504	1970.63059	2179.043617
1.08_312.0948m/z	312.0947665	1.081483333	neg	Deoxyguanosine	HMDB0000085	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Purine 2'-deoxyribonucleosides	**	C00330	38.3	0	M+FA-H	C10H13N5O4	-0.712274346	8944.467839	9127.705883	9616.583744	9177.952693	12102.26483	11908.87985	6423.730905	10159.57066	5731.757611	10352.31228	6298.638129	8729.437976	10333.42468	8943.43157	10549.61543	8304.857023	11834.38804	11071.8975	13728.78894
1.10_205.1181m/z	205.1180772	1.0977	pos	"dimethyl (R)-pyrrolidine-1,2-dicarboxylate"	265049	Unclassified	Unclassified	Unclassified			38.3	0	M+NH4	C8H13NO4	-1.102274512	3155.855149	4414.187626	3541.935168	2364.696261	5667.402913	2293.108046	4894.802411	40.26557477	511.2461745	5640.219427	3061.682191	382.3878333	6102.114151	7586.706633	6653.53896	6847.336005	4144.898117	1976.106508	3674.125686
1.14_241.0327m/z	241.0327489	1.13945	neg	L-Cysteine	63299	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00097	38.3	0	2M-H	C3H7NO2S	2.174960666	897.5446903	977.8416829	845.9449465	1035.256527	697.3385966	1558.835282	624.8093964	897.0456257	1142.402912	955.0549299	989.6783685	942.2543528	1193.196486	900.4804312	915.2032601	692.4751754	708.9041635	940.4694165	1674.411268
1.14_256.9615m/z	256.9614996	1.13905	pos	FOSFOSAL	44294	Unclassified	Unclassified	Unclassified			38.3	0	M+K	C7H7O6P	1.453779042	3387.721908	3371.759832	3067.321882	4120.270761	2904.622806	3410.5348	2408.458648	3290.020991	3336.721849	2936.204127	2852.837454	2674.720596	2495.522017	3048.891	3120.80304	3229.76097	2880.613263	3944.480263	3834.546802
1.14_303.1661m/z	303.1660602	1.13905	pos	HC Blue No. 2	73129	Unclassified	Unclassified	Unclassified			38.3	0	M+NH4	C12H19N3O5	-0.828012545	4624.562692	4130.856809	3619.988207	2292.287359	6233.77867	4615.951618	6279.265419	1474.607895	1516.941033	5581.593056	3174.221603	650.1057743	5731.692614	6160.127555	5258.993204	3191.854176	4904.6659	2564.183002	6845.331946
1.16_322.0881m/z	322.088145	1.1608	neg	Lycomarasmine B	67021	Unclassified	Unclassified	Unclassified			38.3	0	M+FA-H	C9H15N3O7	-3.817152483	762.3516771	685.1866292	913.5322265	836.4149024	543.9519899	482.8295842	200.120661	1761.185144	1327.223802	526.2305522	530.3562978	1189.21148	887.8669537	767.9363381	463.2049301	594.9995157	738.4885602	715.1942368	823.8123714
1.18_559.1812m/z	559.1811544	1.1797	neg	Gravolenic acid	89591	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			38.3	0	2M-H	C14H16O6	-1.688014655	12778.51035	12684.37119	11401.15467	11161.5142	12986.93232	12384.96368	13944.41114	9196.958013	7476.368368	13362.42444	11850.91045	10402.31223	15789.2736	12593.53577	12871.39017	16025.2709	13384.64942	15205.91237	14995.82969
1.20_113.0236m/z	113.0235936	1.199533333	pos	Citraconic acid	LMFA01170099	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C02226	38.3	0	M+H-H2O	C5H6O4	2.100711831	599.5372091	774.779752	761.5315159	645.8778132	525.6972278	743.5242089	606.9168729	603.7576609	615.8343592	820.9112643	551.3315297	585.420043	673.687118	510.1976912	724.3763281	490.0536352	453.1371353	595.7951987	296.5773962
1.20_221.0917m/z	221.0917252	1.199533333	pos	Jasminine	68064	Unclassified	Unclassified	Unclassified			38.3	0	M+H	C11H12N2O3	-1.560765814	5719.063618	5753.255461	5204.383068	5129.592185	6143.321839	5428.325663	4661.672131	5151.256871	5245.597018	6223.999146	4411.518238	7709.145979	4849.309485	4423.827302	5715.639049	5941.085981	6449.306482	7678.713895	6279.85159
1.26_613.1601m/z	613.1601494	1.259833333	neg	Glutathione	HMDB0000125	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00051	38.3	0	2M-H	C10H17N3O6S	-0.304099313	11004.54679	9824.113609	11221.12183	11995.02526	16987.19221	9644.697369	17994.82847	8973.386159	11369.74487	10282.88271	12094.64689	4780.94011	9823.703169	12165.326	7496.40129	7584.51135	6511.64396	7414.921557	8348.761534
1.28_566.0802m/z	566.0802073	1.278416667	neg	4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol	64014	Unclassified	Unclassified	Unclassified			38.3	0	M+FA-H	C14H25N3O14P2	1.590398612	7757.010175	11635.23412	14449.76972	15215.0096	14864.93819	13230.41048	14292.51574	9666.606838	12795.67341	15434.48487	10710.45278	11276.72125	12590.1473	13900.68895	11831.4076	13509.32529	12282.83022	12411.02459	13105.24824
1.34_262.0142n	263.0214317	1.335283333	pos	Homovanillic acid sulfate	HMDB0011719	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			38.3	0	"M+H, M+Na"	C9H10O7S	-2.169159459	10074.06116	7887.725835	8622.918465	624.9397046	11992.05396	520.6045415	1655.894152	41685.98344	31251.80391	733.7379557	3627.915652	11036.20676	5914.594731	12533.06815	7200.185712	4404.737674	5552.635712	2862.057494	10252.98259
1.38_151.0614m/z	151.0613748	1.375966667	pos	1-Methylhypoxanthine	3779	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.3	0	M+H	C6H6N4O	-0.41658126	784.5229696	790.3527409	893.9993735	988.2728965	979.9289149	655.6855245	689.3856704	696.9431106	677.2477021	617.1710416	520.9046269	1031.075719	1138.628437	1043.699804	676.0539324	377.6042323	631.1890757	532.997295	1532.939793
1.40_175.0845n	158.0811698	1.396783333	pos	2-Aminoheptanedioic acid	HMDB0034252	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.3	0	"M+H-H2O, M+Na"	C7H13NO4	0.00087079	4464.259731	4171.696601	4556.326147	5150.251676	3849.208073	4463.675181	3275.713545	5449.751079	5965.118663	4367.879192	4503.971812	5943.312092	3778.964903	4006.324753	4443.074111	4673.592352	4119.951226	5789.511476	5060.537407
1.46_308.1081m/z	308.1080731	1.457516667	pos	Aspergillomarasmine A	86277	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.3	0	M+H	C10H17N3O8	-2.50016258	4008.353691	4386.712738	4005.973105	5892.021791	3400.832661	6035.079314	4102.634955	2431.644441	3534.804148	4614.682611	5600.709251	3047.386337	3804.765317	4988.863994	4817.537838	4862.191706	5529.333974	5025.554488	3348.260963
1.48_174.0761m/z	174.0760725	1.4757	pos	N-Acetyl-L-glutamate 5-semialdehyde	3298	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C01250	38.3	0	M+H	C7H11NO4	-0.068124851	211.2309031	120.8611489	151.0568816	339.1271969	194.1490602	225.8904612	129.7450752	127.9925173	279.5974062	270.17829	244.6706562	215.3684558	292.4874677	256.5945971	115.590265	228.1288357	227.7151565	286.902197	79.82319625
1.48_236.0586m/z	236.0585801	1.4757	pos	para-Aminoazobenzene	72916	Unclassified	Unclassified	Unclassified			38.3	0	M+K	C12H11N3	0.6322894	6590.566785	6872.74457	6465.316402	3942.302694	9343.096731	7782.894236	9098.637059	2265.447291	3041.655737	15005.77944	7045.381116	2311.824426	8975.561868	10574.76931	6316.002857	7602.083573	8661.991134	3312.997342	4833.002007
1.55_310.0588m/z	310.0587949	1.554083333	pos	Carotamine	HMDB0039955	Benzenoids	Benzene and substituted derivatives	Anilides			38.3	0	M+K	C14H13N3O3	-0.200997296	19658.97392	22699.5615	20792.52905	20370.71618	26704.07846	31036.31833	27430.47687	9300.370401	9741.872737	24104.87954	19706.10821	8125.238507	29024.06695	27706.47801	23771.58157	19724.21951	23484.56632	14151.19758	22351.64708
10.04_459.2028m/z	459.2028229	10.04158333	neg	"Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate"	70852	Unclassified	Unclassified	Unclassified			38.3	0	M+FA-H	C24H30O6	0.920722353	3202.65087	3823.549098	3351.333778	2496.550259	3054.734235	2058.538146	2128.644258	2068.874544	3028.399993	3290.330682	2494.390688	1965.855953	2645.07393	1768.755071	2157.224211	2291.468108	1570.834953	3110.329451	1915.25673
10.09_297.1558m/z	297.1558249	10.08928333	pos	Asparaginyl-Phenylalanine	85653	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.3	0	M+NH4	C13H17N3O4	0.334546529	142.0924379	110.2211847	124.4916115	278.0309259	342.8703257	186.630579	325.3703968	0.000297236	206.016416	260.5054353	331.3917641	307.6507481	355.5907644	425.8129864	148.3163139	88.13224793	0.000297236	305.3560667	587.6277124
10.28_111.0439m/z	111.043891	10.27795	pos	Catechol	HMDB0000957	Benzenoids	Phenols	Benzenediols	***	C15571	38.3	0	M+H	C6H6O2	-1.497994389	858.3468854	1192.413805	1154.170989	1073.6507	1032.412768	944.6415991	1087.256637	1365.797581	1140.601193	1051.180786	1165.55757	992.4945905	1080.681289	883.3991355	828.3106741	1075.395996	954.3773886	1077.1154	1022.487667
10.32_298.2502n	299.257458	10.31965	pos	3-Oxooctadecanoic acid	HMDB0010736	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.3	0	"M+H-H2O, M+H"	C18H34O3	-2.097517958	11729.70889	13829.31802	13498.05479	13874.11166	12186.54791	13695.22188	12873.55868	12083.45748	12543.50155	12036.11056	12253.38608	13987.64872	12757.45601	13921.16497	12907.22771	13583.77212	13122.58754	13936.0127	12333.19269
10.49_450.2627m/z	450.2626995	10.48828333	neg	PE(16:1(9Z)/0:0)	77676	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			38.3	0	M-H	C21H42NO7P	0.191996324	1562.094407	2316.35328	1775.878828	1088.936581	1595.437602	913.0291275	1384.100597	320.0582053	437.7523291	965.3307092	1126.739248	1118.428442	1463.17873	995.8504064	1035.404746	911.560768	1150.285992	709.5450646	1409.912033
10.49_951.5267m/z	951.5266696	10.48828333	neg	Ipecac (Emetamine)	838	Unclassified	Unclassified	Unclassified			38.3	0	2M-H	C29H36N2O4	-1.122561093	7028.870004	7690.51164	8381.866104	10037.23897	8406.941501	8125.563424	12473.72323	11341.12355	10049.33243	8457.450612	8690.797313	0.000297236	9467.794483	13237.28016	13246.79969	9903.365864	7999.972476	7806.894856	7552.656454
10.51_512.3357m/z	512.3357267	10.50996667	neg	PC(O-14:0/O-1:0)	40194	Unclassified	Unclassified	Unclassified			38.3	0	M+FA-H	C23H50NO6P	-0.109409933	4724.032469	4442.084164	5604.533131	5598.206766	5461.420274	5179.96593	5439.618247	5454.095297	6695.462734	4374.999294	5105.429744	5330.722419	4678.104125	4997.214454	4530.568312	6009.249833	5687.913422	5777.340634	3977.029997
10.53_584.3209m/z	584.3208736	10.5305	neg	PS(19:0/0:0)	78855	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			38.3	0	M+FA-H	C25H50NO9P	0.65260465	10255.59717	9277.214106	9317.993263	12875.26557	9746.997924	12612.5068	7368.510292	5117.15194	9687.507454	9839.759112	11077.41507	9905.94455	16621.29872	13298.98551	10169.48972	12801.40889	10234.24912	13744.10502	14268.83925
10.57_300.2084n	301.2156194	10.56793333	pos	9-cis-Retinoic acid	HMDB0002369	Lipids and lipid-like molecules	Prenol lipids	Retinoids	**	C15493	38.3	0	"M+H-H2O, M+H"	C20H28O2	-1.706579556	17970.95349	16702.62163	17207.00823	11584.73123	15927.29834	25365.51912	13285.81978	17269.60843	11193.45572	19025.45357	13913.05629	15110.66417	13785.06591	10634.39736	18011.69553	20168.1656	18670.91488	21745.60495	35395.7702
10.61_239.0667m/z	239.0667467	10.61446667	neg	"(±)-2-(1-Methylpropyl)-4,6-dinitrophenol"	HMDB0032559	Benzenoids	Phenols	Nitrophenols		C14302	38.3	0.781	M-H	C10H12N2O5	-2.492587586	22131.43519	22872.39153	22660.23424	23899.07431	23606.22535	24145.55602	24769.24442	24276.55747	24180.95174	24030.00251	24764.92618	21634.44204	23477.34594	23584.53886	23120.21861	23973.6573	22928.50611	22745.98109	23318.36594
10.78_498.3187m/z	498.3186768	10.7763	pos	PA(8:0/12:0)	HMDB0115483	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates			38.3	0	M+NH4	C23H45O8P	-0.736521433	7343.530005	9119.827683	8274.260975	9330.485409	7964.884581	5845.493084	8258.839816	4706.576415	7002.114588	4472.132799	8070.768284	6631.14085	9016.625224	8930.274602	7971.623827	11034.99805	8235.951535	7568.314083	8454.518063
10.79_475.3065m/z	475.306486	10.78516667	neg	7α-Hydroxy-3-oxo-4-cholestenoate	63317	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	**	C17337	38.3	0	M+FA-H	C27H42O4	-0.06210417	2804.128872	3001.806341	3337.789413	2858.105738	5658.717034	3611.527472	2818.404728	1601.269112	961.0483212	5403.467819	2768.321058	351.78827	2923.393774	2405.718416	3786.527744	4631.557395	4184.73827	4673.256061	3220.214586
10.80_209.1533m/z	209.1532621	10.79778333	pos	Methyl dihydrojasmonate	HMDB0031740	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	*		38.3	0	M+H-H2O	C13H22O3	-1.521860458	8235.628358	7646.353505	8009.161758	7818.328486	7864.191906	8009.604615	7820.005304	7624.784981	8420.762276	8329.936545	8767.449416	8270.909979	7199.657595	8237.283892	8478.625983	8091.554622	7813.81141	8805.146256	7774.395134
10.86_434.3386m/z	434.3385723	10.8603	pos	ELAIDYLPHOSPHOCHOLINE	44013	Unclassified	Unclassified	Unclassified			38.3	0	M+H	C23H48NO4P	-1.845736942	10881.29892	12605.56507	11558.54804	12455.99992	9418.936185	15383.16253	11859.1264	7398.359752	12026.82581	15533.57614	12512.52959	11659.94175	12525.26184	10895.83386	14952.28838	15994.96167	16292.08442	17096.2466	10408.57394
10.95_321.2341m/z	321.2341249	10.9545	neg	"2,4,6-Trimethylacetophenone imine"	517	Unclassified	Unclassified	Unclassified			38.3	0	2M-H	C11H15N	1.559092733	4125.142709	3516.836399	3799.7947	2785.855879	2594.95027	5450.303757	3075.690623	4975.510414	2802.845656	3748.647731	3000.183944	7841.043318	2686.563529	2326.950226	4448.777754	5018.66023	6156.468643	6293.875672	5806.233533
11.00_345.1317m/z	345.1316818	10.99718333	neg	"2,6-Piperidinedicarboxylic acid"	334	Unclassified	Unclassified	Unclassified			38.3	0	2M-H	C7H11NO4	3.878676849	3598.2768	3527.186808	2844.94329	3346.239669	3562.149344	3611.924026	3488.127172	3024.280645	3218.147919	3524.406383	3637.273736	3276.307787	3328.228681	3161.308274	3505.821766	3507.478425	3492.64582	3198.314858	2966.510114
11.10_837.1877m/z	837.1877385	11.1045	neg	Cyanidin 3-xyloside	92771	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			38.3	0	2M-H	C20H19O10+	-0.750035114	18379.20183	15761.99337	18539.45441	19780.22605	19293.16612	17114.49335	19746.95603	19027.88869	20089.30817	20757.34056	21867.72442	18358.46034	18075.36466	14398.16626	18927.90693	21409.42195	21535.26499	19242.89031	17915.2008
11.11_1018.6939n	1041.683129	11.10751667	pos	NeuAcalpha2-3Galbeta-Cer(d18:1/18:0)	56048	Unclassified	Unclassified	Unclassified			38.3	0	"M+H, M+Na"	C53H98N2O16	2.218610507	716609.9574	587274.9672	796445.1489	898716.2988	677882.7716	600470.9025	980248.9329	998847.6705	636904.7571	670291.0179	871600.9517	557194.2799	711151.8937	662082.0595	422378.6932	521115.506	613573.657	940524.3234	787600.7153
11.48_299.1433m/z	299.1433365	11.48118333	pos	"4,7,10,13,16,19-Docosahexaynoic acid"	LMFA01030677	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.3	0	M+H-H2O	C22H20O2	0.932696246	2100.336679	2104.356291	1646.359705	3031.490232	2483.393148	2012.401903	1522.907831	757.6377204	1338.662724	1719.159843	2384.572654	2215.937553	2333.252466	2126.837693	1848.469758	1968.809117	1860.163024	2260.223468	2842.190045
11.57_653.3401m/z	653.3400568	11.57193333	neg	azaperone	3933	Unclassified	Unclassified	Unclassified			38.3	0	2M-H	C19H22FN3O	-3.129685079	6026.739507	6426.937346	6144.410133	5505.212029	5956.034478	5455.379456	6947.206289	4731.062683	6777.0468	5257.019371	6198.253159	5759.409517	8123.657184	7670.43948	6207.182708	6100.108494	5666.652586	6156.996284	6058.923433
11.65_330.2454m/z	330.2453873	11.64553333	pos	Eicosapentaenoic Acid-d5	96379	Unclassified	Unclassified	Unclassified			38.3	0	M+Na	C20H25D5O2	0.659680868	13336.50143	12564.97386	13110.59205	12910.50904	13091.73861	12433.75894	11659.3186	9246.77759	15054.16666	12200.20424	11761.30087	12878.23518	13663.82501	17315.06369	13832.85053	14992.08196	14219.2426	12813.01403	17619.95273
11.74_356.2805m/z	356.2804676	11.74108333	neg	(±)13-Azaprostanoic acid	43397	Unclassified	Unclassified	Unclassified			38.3	0	M+FA-H	C19H37NO2	-0.52913356	1080.652784	1139.259169	1103.353964	1764.671569	1133.739198	977.1558487	672.4642688	689.9505182	939.7235689	717.9622921	948.902968	1631.861665	1092.91849	1058.443104	1116.871259	1345.009455	1256.53519	1786.975783	1266.51219
11.76_351.1265m/z	351.1265185	11.76273333	neg	Sudan III	73206	Unclassified	Unclassified	Unclassified			38.3	0	M-H	C22H16N4O	3.929729369	269.6897608	312.7468293	282.9158734	208.8955452	431.8946161	434.0279148	262.6094376	923.1385961	962.491138	209.3662788	376.6324192	470.1821092	372.7072936	289.8969458	410.26895	348.8881143	306.7955223	468.7704336	139.0044003
11.95_293.1756m/z	293.1756168	11.95288333	neg	Octyl phenylacetate	HMDB0037713	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		38.3	0	M+FA-H	C16H24O2	-0.870775828	1102.331503	848.4852812	1108.368668	936.9372104	917.675333	1015.567375	1079.615224	1102.699014	1167.041803	934.2239114	1170.477114	832.1531603	743.7708552	1017.08692	982.9052393	1177.48288	1037.994134	983.7661553	716.4198992
12.54_507.1947m/z	507.1947373	12.54275	neg	Dyphylline	HMDB0014789	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives		C07819	38.3	0	2M-H	C10H14N4O4	-1.960144039	3189.099941	2862.086037	3280.747696	3090.854472	3649.988611	3381.882396	3377.452079	4901.352896	4417.913852	2604.986507	3148.339861	6540.740849	5015.205349	4815.421547	4157.092798	3972.170992	3237.40185	3656.205408	2738.292248
12.54_629.4549m/z	629.4548526	12.54275	neg	PA(16:0/16:0)	LMGP10010027	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	**	C00416	38.3	0	M-H2O-H	C35H69O8P	-0.481236512	4100.979148	4143.346537	4185.745396	4114.788306	4468.427602	5295.005989	5641.487891	7461.63638	5667.960265	4950.559426	5148.523371	7271.319873	4878.072098	5593.913656	5545.553559	5150.667906	5005.351195	5663.798509	4366.428953
12.59_369.0349m/z	369.0349336	12.58548333	neg	3'-UMP	HMDB0060282	"Nucleosides, nucleotides, and analogues"	Ribonucleoside 3'-phosphates	Unclassified	**	C01368	38.3	0	M+FA-H	C9H13N2O9P	2.666793128	2901.204916	3224.898455	3151.429245	2867.121682	3184.302879	3945.197036	3410.481766	3664.512768	2970.039104	3715.195357	3481.424945	2486.667247	2795.169028	2941.976619	3308.625206	2862.585161	2701.752203	2893.400106	2786.819266
13.09_328.3202m/z	328.3202439	13.08538333	pos	11Z-Eicosenoic acid	HMDB0002231	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C16526	38.3	0	M+NH4	C20H38O2	-2.455998124	16373.86154	11023.26572	16437.14714	17102.10176	14456.12981	15615.41769	17457.09375	13268.03244	16460.04825	12645.6235	16405.40784	15739.16324	15496.34679	16280.96422	13809.415	16858.07368	15120.4966	16314.22461	16723.926
13.21_334.3099m/z	334.3099163	13.20815	pos	"2,4,12-Octadecatrienoic acid isobutylamide"	HMDB0032033	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	*		38.3	0	M+H	C22H39NO	-1.575293604	26980.85918	17989.89636	28632.70806	25667.45795	25101.69052	21754.27441	26304.87158	26165.86498	24519.71259	24338.46522	25281.11268	18779.91576	22290.17165	22895.26593	21517.47759	22038.43653	26227.2238	24171.63867	20615.31279
13.83_174.1275m/z	174.1274809	13.83035	pos	"1,6-Dimethylnaphthalene"	69884	Unclassified	Unclassified	Unclassified			38.3	0	M+NH4	C12H12	-1.56950479	3703.030483	3234.555195	3282.120634	3914.700735	3462.759849	3356.987685	3604.07335	3362.879274	3047.661721	3584.583706	3922.825699	3154.592271	3124.962917	3090.269065	3551.495443	3613.751446	3338.809806	3500.852948	3102.456064
13.89_394.9947m/z	394.9947416	13.89468333	neg	Alginic acid	86604	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01768	38.3	0	M-H2O-H	C12H16O12P2	2.134134708	2653.698436	1881.038735	1927.295788	3936.097551	2842.308138	2940.242856	3151.520335	2609.954935	1772.311313	3966.097245	3226.194321	1899.023084	1142.546647	1999.287393	1338.595471	2305.124912	2075.62792	2308.40946	1805.949213
14.49_156.1381m/z	156.1381233	14.4937	pos	"(2E,6Z)-nona-2,6-dienal"	LMFA06000117	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*	C08499	38.3	0	M+NH4	C9H14O	-1.21144558	2058.999281	1828.108935	2411.761982	2257.39288	2216.029568	2300.849641	2258.615662	2350.789924	2291.516647	2338.125329	2170.550641	2292.575697	2109.889842	2241.75353	2325.07937	2663.018624	2181.599491	2261.832274	2237.313627
14.58_109.0763m/z	109.0762503	14.57848333	pos	"2,3-Dimethylpyrazine"	88870	Organoheterocyclic compounds	Diazines	Pyrazines	*		38.3	0	M+H	C6H8N2	2.087518254	4743.253015	4507.84956	4056.230003	4149.484135	4117.187991	4333.146752	4755.920517	5592.900047	4916.295319	5105.612573	5377.501453	4719.612616	4314.306287	4072.573611	4202.77917	4538.399791	4294.296245	3955.410498	4022.895048
15.76_119.0491m/z	119.0491268	15.75651667	pos	"2,4,6-Octatriyn-1-ol"	HMDB0030968	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.3	0	M+H	C8H6O	-0.122341041	3237.763475	2489.177608	2507.153904	2684.909019	2393.540449	3119.635338	3383.492722	3145.565849	3087.425569	3059.969484	3505.306785	2046.093585	2593.958189	2319.407442	2788.104497	2642.037482	2558.546851	2592.053247	2539.141203
2.00_332.2791m/z	332.2791444	2.002466667	pos	Octadecanedioic acid	LMFA01170029	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.3	0	M+NH4	C18H34O4	-1.243234032	37327.58453	32830.36873	35056.0052	36545.2101	34550.74191	36753.1174	35626.30527	32437.12345	34953.73248	34639.7512	35484.65851	34475.66873	33380.29843	32719.74592	33695.18551	35896.68707	34741.23144	34535.00065	30002.99759
2.02_102.0553m/z	102.0552712	2.021083333	pos	L-Threonine	HMDB0000167	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00188	38.3	0	M+H-H2O	C4H9NO3	2.656501843	976.2058533	854.2501953	1014.6573	1214.710436	971.8398323	929.6096099	951.9295291	850.1351364	800.4725563	1190.822716	892.2868992	835.2886934	1086.162971	1064.2797	723.2040948	1056.409863	834.9322498	1019.007281	649.585031
2.05_232.0584m/z	232.0584279	2.054766667	neg	1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole	693	Unclassified	Unclassified	Unclassified			38.3	0	M+FA-H	C6H9N3O4	4.914278439	508156.5072	558722.9024	537277.515	570531.7701	560179.037	523516.5109	554175.5205	497791.659	479639.7293	547303.1101	564622.1041	490787.7208	553698.3491	551779.3733	540162.3909	536250.4367	568062.3258	565472.5973	621915.3902
2.08_565.0499m/z	565.0498795	2.075433333	neg	Uridine diphosphate glucose	HMDB0000286	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine nucleotide sugars	**	C00029	38.3	2.59	M-H	C15H24N2O17P2	3.77241059	27538.41529	25987.30215	29219.44116	27295.92177	26043.06507	24776.59011	27151.85458	23626.86829	28126.68684	27086.23421	29463.59531	24015.88159	27548.517	27747.57193	27149.20535	26690.2304	30150.66467	28930.21302	28110.25407
2.14_237.0866m/z	237.0865827	2.13775	pos	8-Methoxykynurenate	63556	Organoheterocyclic compounds	Quinolines and derivatives	Quinoline carboxylic acids	**	C05830	38.3	0	M+NH4	C11H9NO4	-1.828863638	2849.585628	2604.159835	2667.408997	2524.732537	2488.95744	3224.400436	1732.74017	1457.268387	2418.947493	2674.081023	1771.522484	2407.643339	2472.901627	2043.79914	2972.571851	2834.043346	2216.251046	3235.83098	4114.153326
2.16_332.2791m/z	332.2791421	2.15675	pos	Dibutyl decanedioate	HMDB0041220	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.3	0.0185	M+NH4	C18H34O4	-1.250679242	28202.91608	23715.93646	24416.74365	27409.95556	25896.19622	28366.76671	28416.378	28118.07427	26190.5085	26501.74923	29169.77358	26531.29465	25523.77533	26233.5756	26104.32175	24972.1632	27675.4434	29800.06251	23446.93633
2.74_274.0369m/z	274.0368946	2.743033333	pos	[(2-oxo-2H-chromen-6-yl)methoxy]sulfonic acid	HMDB0135536	Phenylpropanoids and polyketides	Coumarins and derivatives	Unclassified			38.3	10.5	M+NH4	C10H8O6S	-4.257401245	3999.821932	3180.127614	3219.293927	4425.858373	3621.614269	3696.034476	4046.698221	3241.175621	3146.0005	4167.528168	3950.008638	3315.970573	4588.273178	4210.620266	3919.424605	3879.375922	2982.167694	4044.205267	3997.446101
2.75_308.0984m/z	308.0983899	2.754933333	neg	9-O-Acetylneuraminic acid	3320	Unclassified	Unclassified	Unclassified			38.3	0	M-H	C11H19NO9	-1.018640885	1845.728133	2116.006894	2246.550098	2061.550067	1922.105326	2082.069663	2228.920998	1963.502858	1939.270538	2195.638379	2172.787574	1762.780299	2071.024832	1956.108574	1917.181668	1681.700609	1938.662885	2058.095194	2214.313594
3.16_245.0782m/z	245.0782297	3.156716667	pos	Diglycidyl resorcinol ether	72951	Unclassified	Unclassified	Unclassified			38.3	0	M+Na	C12H14O4	-0.899982282	2429.276282	2935.454636	3159.591344	3142.588585	3089.672421	3313.651149	3311.652009	2835.901016	4311.613036	2816.64351	2961.418088	3361.762013	3056.693494	3082.547088	3105.991453	2897.176562	3306.545263	2804.899121	2853.741347
3.23_318.1093m/z	318.1092994	3.2314	neg	Aspartyl-Tryptophan	85678	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.3	0	M-H	C15H17N3O5	-0.767093615	873.084308	817.9483855	744.8040466	456.8466512	1454.387614	1206.951429	1503.178423	636.4497947	378.6989636	1056.861295	1205.698074	168.4868668	838.6063743	1099.409094	757.187213	689.9481385	699.7175491	599.0355262	840.998815
3.54_243.0527m/z	243.052737	3.538083333	pos	D-Tryptophan	HMDB0013609	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives		C00525	38.3	5.69	M+K	C11H12N2O2	-1.463648514	2626.263205	3957.728574	3126.806061	3343.949839	3507.576941	3306.88435	2912.272083	2102.465273	1646.873502	3362.422719	3326.019264	3300.096168	3755.20179	4137.193518	2369.608883	2954.859796	3383.004867	2939.844062	4566.436514
3.62_309.1092m/z	309.1091552	3.619033333	neg	Ethosuximide M5	2600	Unclassified	Unclassified	Unclassified			38.3	0	2M-H	C7H9NO3	-0.176214949	163.4140037	162.5402792	187.5638504	0.000297236	63.14298465	0.000297236	76.53231779	1314.829068	701.7428692	0.000297236	147.9030682	638.2458981	0.000297236	55.16090706	0.000297236	0.000297236	73.84271387	89.6836669	61.80292833
3.64_201.0360n	200.0286903	3.640283333	neg	Thiabendazole	HMDB0014868	Organoheterocyclic compounds	Benzimidazoles	Unclassified		C07131	38.3	0	"M-H, M+FA-H"	C10H7N3S	-0.505149411	101959.8173	102224.784	108332.6071	108802.1881	110431.549	107369.2597	104925.3719	102832.9157	98965.51688	118380.3085	111645.1703	85056.20336	104607.2285	99882.3208	116618.7237	114811.139	112443.3587	98267.65913	100093.1903
3.93_263.9923m/z	263.9923433	3.9341	neg	4-Nitrophenyl phosphate	HMDB0060272	Organic acids and derivatives	Organic phosphoric acids and derivatives	Phosphate esters		C03360	38.3	0	M+FA-H	C6H6NO6P	3.958438065	509.4399262	568.4084261	491.138493	436.9361674	250.2760811	425.6038626	271.0859587	885.6090627	1204.865862	269.6068487	275.3775756	1102.109721	195.8077901	257.5403626	333.1873831	360.4608194	350.9425059	642.8294366	452.0866081
3.95_450.1958m/z	450.1957603	3.952483333	pos	Zizybeoside I	HMDB0034954	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.3	0.529	M+NH4	C19H28O11	-2.839164422	4795.706854	4736.323883	4651.404877	3822.072511	3813.755115	3993.64411	7386.860954	844.4488691	2356.556318	2665.569572	4809.803499	898.602035	9720.008139	9348.790207	3526.68687	3691.458874	6480.291904	3941.229601	7550.156804
4.00_174.0761m/z	174.0760588	3.9952	pos	Ethosuximide M3	2597	Unclassified	Unclassified	Unclassified			38.3	0	M+H	C7H11NO4	-0.146906019	679.2905237	600.1166728	592.2529907	702.536492	520.7031369	746.8646513	477.4916717	280.4775377	261.7811751	582.626151	453.9328803	315.720405	684.3211495	649.2454784	875.2842371	638.422801	635.9057792	760.9970593	1009.775019
4.20_220.0607m/z	220.0607316	4.204283333	neg	Indoleacetic acid	HMDB0000197	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives	***	C00954	38.3	0	M+FA-H	C10H9NO2	-4.568656919	240.4837167	210.4571401	242.2269313	123.5522515	341.6961031	214.4706215	39.70294507	38.74509033	155.9104516	947.0645787	74.90877379	76.70943038	202.0373224	36.09735957	145.0866918	56.32618757	158.1187999	102.8296011	49.56123516
4.25_267.0461m/z	267.0461229	4.246833333	neg	tert-Butylbicyclophosphorothionate	73434	Unclassified	Unclassified	Unclassified			38.3	0	M+FA-H	C8H15O3PS	-0.143928095	1212.874771	1278.468815	1482.486982	882.3893307	1130.145241	888.4974559	932.1130038	2248.881288	2908.653485	864.9592883	1700.227131	1219.160376	1027.083474	1448.19176	1330.232997	900.4034666	1110.200575	959.887967	1471.93163
4.29_377.1465m/z	377.1464929	4.288083333	neg	Tryptophyl-Gamma-glutamate	HMDB0029097	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.3	0	M+FA-H	C16H20N4O4	-0.49707137	1023.908361	1037.832981	1042.991205	1049.893017	920.2983868	1164.516722	759.7278897	838.015241	829.5853507	687.275171	710.3507404	916.9145579	1028.177149	792.6474665	1274.486706	1185.361778	1033.860563	962.614697	1179.054053
4.33_588.2582m/z	588.2582424	4.326783333	pos	Deoxystreptomycin	2505	Unclassified	Unclassified	Unclassified			38.3	0	M+Na	C21H39N7O11	-3.066380257	3272.937702	3292.799855	2824.915857	3963.808368	3902.189726	4467.836333	2066.833491	4307.692939	3559.685942	3921.211073	2556.503744	6772.68861	3516.504192	2649.366359	2623.711067	1922.834033	2121.227473	3001.32439	3225.629997
4.50_259.0214m/z	259.0213726	4.49865	neg	2-Deoxy-D-ribose 5-phosphate	3349	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00673	38.3	0	M+FA-H	C5H11O7P	-4.997410989	940.438004	722.2779222	684.9305897	459.7794475	841.2628024	855.3195144	956.3230988	1076.601273	798.8795022	1708.516947	572.51407	503.3449613	656.2978942	785.4797303	820.134653	660.0865502	836.7206765	416.5951059	491.5360853
4.53_288.1703m/z	288.1702987	4.532133333	pos	Dihydroisolysergic acid II	2262	Unclassified	Unclassified	Unclassified			38.3	0	M+NH4	C16H18N2O2	-1.312951844	1219.567408	1338.780247	1306.893765	1682.560581	497.2296658	1069.366531	281.5023731	855.3532722	724.1158673	364.730193	921.1823497	3058.396031	753.0194318	852.973701	1688.93362	1241.587204	1082.621112	2880.028906	2778.630019
4.61_275.1038m/z	275.103764	4.6053	neg	Aspartame	HMDB0001894	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C11045	38.3	0	M-H2O-H	C14H18N2O5	0.113745049	886.0755095	894.469868	987.6874028	856.86763	787.2125039	855.3189108	670.4976903	1355.375775	1056.88564	725.5867449	1009.28998	1856.310636	1042.385714	891.4643782	783.9919189	828.088213	749.7499811	917.1847016	1012.151316
4.62_380.0423m/z	380.042321	4.616083333	pos	6-Thioguanosine monophosphate	HMDB0060415	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides	**	C16619	38.3	0	M+H	C10H14N5O7PS	-0.292547547	1018.851057	800.2230269	1111.572889	4386.005025	0.000297236	0.000297236	1222.297877	0.000297236	281.5770723	0.000297236	2349.760027	1767.299253	0.000297236	0.000297236	1499.783525	2140.252244	2555.726111	2370.452607	0.000297236
4.63_343.1396m/z	343.1395545	4.62665	neg	(-)-erythro-Anethole glycol 1-glucoside	HMDB0033066	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38.3	0	M-H	C16H24O8	-0.833383619	495.3620586	639.1150919	684.7217093	476.076474	589.0064696	534.9281783	467.4083206	257.2115089	324.3907062	590.991419	443.2987958	409.0679868	740.2749115	501.383009	446.0200274	551.1837377	378.6741171	724.0588175	580.8351393
4.69_261.0701m/z	261.0700841	4.689533333	neg	FKGK 11	45480	Unclassified	Unclassified	Unclassified			38.3	0	M-H2O-H	C13H13F5O	-2.60965015	1531.590791	1302.605005	1606.265832	1737.912553	1354.960218	1749.349433	1241.399871	874.5326977	942.5215767	1553.176699	1495.085455	1032.329881	1534.40572	1414.425168	1266.832908	1598.192908	1642.722896	2085.89747	1991.483492
4.69_441.1589m/z	441.1588975	4.689533333	neg	Eremopetasitenin A2	87268	Organoheterocyclic compounds	Naphthofurans	Unclassified			38.3	0	M+FA-H	C20H28O6S	0.088425291	617.9604533	729.9698838	684.2439162	863.2427158	307.5253824	554.107444	575.9244209	160.8824884	111.6040825	497.7833521	932.6045533	313.0768441	542.2911403	763.9076164	1402.670121	951.4150609	1203.425588	1016.55836	512.3910091
4.76_120.0445m/z	120.0444773	4.759316667	pos	"1,2-Diacylglycerol-LD-PI-pool"	HMDB0062270	Benzenoids	Benzene and substituted derivatives	Unclassified			38.3	0	M+H	C7H5NO	0.731345776	477.3617454	430.8601637	414.3946308	553.8834098	343.3465687	342.708467	312.9255022	558.6910246	534.5348272	358.1833404	397.4789366	1088.453582	486.6535752	448.1512959	592.3439217	427.2033173	430.4083372	442.6702657	352.4202422
4.93_211.0604m/z	211.0603901	4.9336	neg	Dihydro-3-coumaric acid	4152	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified	**	C11457	38.3	0	M+FA-H	C9H10O3	-4.859223357	428.9771573	367.7610758	429.5099115	273.2378069	281.8771711	300.1994084	256.9156394	1697.899024	865.399982	181.635762	227.9312182	494.6717924	204.8496572	241.0124445	336.5774471	198.5219508	315.6807463	219.9789871	191.3523113
4.93_304.0802m/z	304.0801617	4.9336	neg	Convicine	66969	Unclassified	Unclassified	Unclassified			38.3	0	M-H	C10H15N3O8	4.994378393	8203.834981	9119.685205	9241.771433	9436.760134	7466.665051	11890.48966	7234.452961	9060.661002	6510.180543	7207.74677	6865.407365	10360.33149	8541.286539	7758.585715	9941.045426	6698.123807	10621.28255	9492.895223	16312.26406
5.02_219.0631m/z	219.0631481	5.017966667	neg	Aspartyl-Serine	85676	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.3	0	M-H	C7H12N2O6	4.037038693	377.8260472	302.7342899	318.2930222	90.14236099	472.4395957	607.4850247	143.3629849	974.0549873	611.7353417	343.1707471	185.1146066	380.8034308	87.88457574	297.3949971	121.666567	103.470955	179.6226779	207.1413368	98.05433658
5.19_445.1845m/z	445.1844589	5.189216667	neg	4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone	73257	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C19602	38.3	0	2M-H	C10H13N3O3	0.790598913	392.2631605	661.5584608	487.1271782	364.300696	396.9352788	592.5668581	574.0227476	2015.728281	352.2143359	529.574839	723.6110763	916.0060393	335.1903652	631.3942436	652.6160584	459.4618392	993.8904719	666.0095921	296.6109206
5.27_277.0667m/z	277.0667084	5.271183333	neg	Kifunensine	45180	Unclassified	Unclassified	Unclassified			38.3	0	M+FA-H	C8H12N2O6	-4.440706113	1746.796797	1741.622831	1739.710106	1296.436095	1662.499591	1452.062567	1456.669791	3165.617868	1744.356645	1130.342004	1526.660789	1255.325053	1384.340513	1124.168568	1355.683942	1234.18155	1192.757103	1425.90446	1264.317908
5.62_149.0595m/z	149.0594696	5.618966667	pos	Homovanillin	HMDB0005175	Benzenoids	Phenols	Methoxyphenols	**	C05581	38.3	0	M+H-H2O	C9H10O3	-1.423156383	4182.554436	4478.565124	4152.028257	4430.274735	4041.790551	4377.143104	4190.445445	4273.923997	4150.322883	4705.25231	4453.136202	4479.141224	4324.261827	4476.77056	4753.27365	4334.498419	4059.029298	4375.306502	4028.420233
5.96_297.1471m/z	297.1470506	5.96125	neg	Iso-Olomoucine	96580	Unclassified	Unclassified	Unclassified			38.3	0.195	M-H	C15H18N6O	0.395014072	800.2373028	1301.113247	1048.516097	466.4697613	553.1065703	462.6511674	810.1451716	351.8588168	2249.34748	685.4909934	696.1461303	1426.268759	2757.797775	632.7948336	449.4815664	531.649032	1219.269239	794.509921	1095.074873
6.33_359.1864m/z	359.1864015	6.3273	neg	4-oxo-Retinoic acid	HMDB0006285	Lipids and lipid-like molecules	Prenol lipids	Retinoids	**	C16678	38.3	0	M+FA-H	C20H26O3	0.012402524	692.1387256	807.5898559	610.592987	984.5620506	935.0577038	927.1107403	706.9894176	900.6873776	92.59947755	553.8829927	1180.463117	401.8247133	646.1379429	633.7572932	840.2096316	737.00452	945.2184381	828.0627187	317.9791173
6.36_239.1273m/z	239.1272922	6.361783333	pos	"2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione"	HMDB0033191	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.3	0	M+H	C13H18O4	-2.071384639	1536.399467	2619.826646	2074.785334	1869.506395	1783.909858	1200.605983	1576.916101	2121.243296	1951.51372	1738.848942	2033.541587	2350.511554	2492.193509	2023.504895	1682.470566	2787.688775	1518.748201	1681.579997	2040.938923
6.46_205.1584m/z	205.158373	6.46085	pos	3-NOR-3-OXOPANASINSAN-6-OL	44489	Unclassified	Unclassified	Unclassified			38.3	0	M+H-H2O	C14H22O2	-1.434487716	1534.187109	1569.155621	1546.257687	1357.173548	1560.730804	1464.08337	1440.695748	1684.142942	1465.703563	1458.780398	1598.654181	1845.318898	1712.614926	1701.479889	1674.562553	1482.232992	1628.77029	1509.344166	1325.101408
6.60_487.2372m/z	487.2371666	6.6046	neg	Cyclo(L-Phe-L-Pro)	69242	Unclassified	Unclassified	Unclassified			38.3	0	2M-H	C14H16N2O2	4.275582775	543.1799203	698.6211417	489.6592632	0.000297236	85.40730091	0.000297236	0.000297236	0.000297236	96.47913947	647.110131	0.000297236	0.000297236	0.000297236	84.90800045	4753.795027	189.3359547	640.2921904	2059.898322	1533.503398
6.87_225.1126m/z	225.1125924	6.873266667	neg	"Methyl 2E,4E,6Z-decatrienoate"	LMFA07010481	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.3	0	M+FA-H	C11H16O2	-3.554598438	522.6985295	722.2424005	704.6965536	525.8893155	895.8241103	946.3329329	659.3384743	572.9011267	719.9133513	953.4200308	580.0681601	683.1929374	695.2315867	725.5741687	557.3372253	507.128856	711.0421915	735.3187635	573.5787143
6.87_287.1499m/z	287.1499075	6.873266667	neg	Methyl (R)-3-methyl-2-oxopentanoate	LMFA07010933	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.3	0	2M-H	C7H12O3	-0.362826861	218.5984193	232.5168205	176.801765	383.4708689	585.269462	483.606114	847.7919911	377.6712695	420.7458743	762.863733	639.4671137	511.5419632	296.6140269	819.9064835	559.4259175	657.1899423	183.4543126	328.1632175	709.9522871
6.95_395.2913m/z	395.2913356	6.95255	neg	N-oleoyl asparagine	75519	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			38.3	0	M-H	C22H40N2O4	-0.493838037	342.1854136	301.7868014	366.3154842	225.1020918	217.8253888	317.3797588	154.8931943	1554.104632	593.0707789	147.149848	235.9327198	603.4244225	90.47249348	100.9744418	425.4142453	257.8690859	401.2914941	512.9348832	124.5807894
6.98_378.1509m/z	378.15094	6.979416667	neg	Kasugamycin	71964	Unclassified	Unclassified	Unclassified			38.3	0	M-H	C14H25N3O9	-2.276070733	1794.799788	2368.70133	1770.88298	2283.38126	1898.621843	1521.747391	2248.735649	1846.679046	1472.526246	1892.840941	1946.447578	1585.074093	2104.507734	1895.13645	1745.911647	2005.555859	1628.091696	1897.054317	2574.465646
7.21_239.1284m/z	239.1284108	7.20855	neg	"(S)-p-Mentha-1,8-dien-10-yl acetate"	92001	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.3	0	M+FA-H	C12H18O2	-2.430559285	1167.747068	1455.64153	1491.40587	1372.750858	1595.327864	925.7531711	1083.730321	1202.341256	1091.255314	1429.481734	1517.715842	1360.230552	1474.412869	1194.012842	1229.074068	1301.897691	1012.196936	1211.850208	1234.179989
7.41_205.1583m/z	205.1583419	7.411116667	pos	Rishitin	67903	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols		C09715	38.3	0	M+H-H2O	C14H22O2	-1.574671314	1911.073735	1896.384766	1893.127373	2123.920675	1780.208146	2193.369632	1936.441868	1923.287052	2067.838737	2047.654369	2293.74864	2251.799775	2071.037678	1983.311706	2271.842925	2018.126829	1808.021537	2452.799095	1994.123263
7.43_535.1458m/z	535.1458038	7.432483333	neg	"7-Hydroxy-2',4',5'-trimethoxyisoflavone 7-O-glucoside"	LMPK12050064	Unclassified	Unclassified	Unclassified			38.3	0	M+FA-H	C24H26O11	0.182085099	2078.316311	2341.784673	2561.032993	2175.092313	2049.824611	2382.61569	2131.271302	2249.981087	1781.050313	2337.236032	2472.324506	2450.798384	2444.486377	2494.273157	2850.485746	3260.950193	1818.450377	2636.764614	2018.617937
7.47_414.2133m/z	414.2133372	7.469116667	neg	Pramanicin	LMSP01080048	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			38.3	0	M+FA-H	C19H31NO6	-0.009284259	1110.748935	861.4229195	941.0480088	1119.488335	472.1841668	1272.812331	375.5520501	985.3456688	327.3617794	806.4451776	537.640469	408.2084515	1858.223262	1334.569257	1139.765899	824.6418653	555.5088585	910.8105876	909.7213497
7.53_177.1635m/z	177.1635343	7.53105	pos	Geranylacetone	HMDB0031846	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*	C13297	38.3	0	M+H-H2O	C13H22O	-1.250281125	5740.772525	7266.329618	6020.518126	6337.978991	6689.792299	5696.589511	5397.545455	5854.075289	5131.555161	4935.683535	6557.277717	9425.259681	6425.785615	6157.935435	5862.680131	5554.718919	5038.946457	6282.82005	5684.28273
7.72_241.1441m/z	241.1440997	7.717433333	neg	cis-3-Hexenyl trans-4-hexenoate	HMDB0031692	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.3	0	M+FA-H	C12H20O2	-2.207723113	772.978658	781.8724159	781.284948	718.4701212	890.9617956	733.7495907	824.0611274	830.3674307	805.7091919	999.2564645	1118.025299	668.9918323	898.3777714	721.0070049	785.7285767	955.3840041	841.9887108	839.129693	731.1253517
9.03_206.1900m/z	206.1900441	9.027933333	pos	"(E,E)-2,4-Decadienoic isobutylamide"	87312	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			38.3	0	M+H-H2O	C14H25NO	-1.26402038	1453.314661	1307.910683	1250.640146	1440.32104	1236.347572	1253.422706	1456.470821	1395.897389	1328.993261	1389.291202	1640.575133	1383.560339	1420.636811	1457.86108	1284.628263	1488.133276	1336.912901	1408.234189	1425.158152
9.47_377.1581m/z	377.1580787	9.46865	neg	"Propanoic acid, 2-(methoxyimino)-, trimethylsilyl ester"	HMDB0094703	Organometallic compounds	Organometalloid compounds	Organosilicon compounds			38.3	0	2M-H	C7H15NO3Si	2.949431127	1010.777886	851.8262839	1305.887162	1816.455568	2047.702972	1001.404573	2537.690445	1827.867428	2463.855009	1180.568191	1857.917265	1797.219929	1636.901395	2342.637937	1739.906573	2394.070397	1666.450192	1753.075612	1620.387023
9.62_277.1808m/z	277.1808275	9.624866667	neg	10-Deoxymethynolide	40998	Lipids and lipid-like molecules	Polyketides	Macrolides and lactone polyketides	**	C11993	38.3	0	M-H2O-H	C17H28O4	-0.306412651	539.5638591	393.4022384	497.368454	1100.935148	409.4616767	800.8269465	317.4030194	389.0189334	316.5268574	461.3257644	497.0227771	200.0873551	584.4558465	380.194014	561.2679567	568.6385218	563.3509376	591.0477484	984.9133055
9.98_263.1651m/z	263.1651474	9.978783333	neg	Zerumbone	HMDB0036667	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		38.3	6.51	M+FA-H	C15H22O	-0.553732039	1482.715284	2004.927801	1679.818944	1248.415565	1282.475775	1076.097739	973.9358986	1300.831041	1133.588389	1220.986328	1178.666512	1116.978229	1222.554757	1012.410003	1306.458579	1016.5084	1451.004593	1449.438601	914.2433122
0.00_175.1478m/z	175.1477857	0.003583333	pos	"2,6-Diisopropyl-3-methylphenol"	HMDB0029820	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.2	0	M+H-H2O	C13H20O	-1.776000991	2754.360078	2035.427862	2460.492684	2250.328683	2269.641743	2959.666776	2210.709898	2968.944289	1939.451708	2619.791447	2650.450437	2224.857733	2298.946838	2454.765978	2415.22559	2272.432139	2334.313546	2817.321805	2505.310207
0.10_223.1478m/z	223.1478466	0.10495	pos	Tetrahomomethionine	64504	Unclassified	Unclassified	Unclassified			38.2	0	M+NH4	C9H19NO2S	1.809867247	4382.826802	3854.698622	4862.963478	4087.146314	4918.195251	5277.627877	4578.489957	3887.579414	3966.102006	5171.637786	5305.389998	3730.48014	3604.12244	3629.645663	5274.019264	3970.817851	4796.086236	4868.893144	4171.812865
0.18_126.0659m/z	126.0659329	0.176983333	pos	CYCLOCREATINE	44140	Unclassified	Unclassified	Unclassified			38.2	0	M+H-H2O	C5H9N3O2	-1.784901092	39624.88113	45212.95689	39502.47186	43802.8783	46335.55265	43120.4563	41341.18774	39920.52038	40678.18694	45578.83226	48852.58126	42576.70662	39590.32204	35690.11227	40624.57969	39296.40506	36605.06917	42896.04337	37754.59015
0.18_221.1171m/z	221.117057	0.176983333	pos	Precocene II	67355	Unclassified	Unclassified	Unclassified			38.2	0	M+H	C13H16O3	-0.744308465	8337.79077	7858.393144	8289.507879	8748.177851	8693.460263	10024.90602	7512.554181	9666.568047	8596.884845	9273.857565	9381.735926	7815.492014	8370.932263	8495.265189	8734.743739	8214.512186	8111.781988	9716.049036	8518.64076
0.29_169.0856m/z	169.0855945	0.291416667	pos	1-Ipomeanol	87002	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			38.2	0	M+H	C9H12O3	-1.940408458	29217.54498	27501.43971	26707.17235	27433.0101	26234.27043	28635.3279	28067.63166	28608.56868	27490.03865	28723.50056	29499.74329	26181.87535	26977.0494	27414.4152	27931.12755	28154.03678	25976.29135	27995.66631	26012.40115
0.31_211.1479m/z	211.1478993	0.30925	pos	"13-METHYL-4,4-BISNOR-8,11,13-PODOCARPATRIEN-3-ONE"	43709	Unclassified	Unclassified	Unclassified			38.2	0	M+H-H2O	C16H20O	-0.998201115	16429.49194	12607.19806	13333.50919	15173.78162	13776.40257	14762.86692	14339.31753	14576.66174	15614.178	15076.26616	13823.9865	13760.15288	14050.60969	12707.15513	14201.35558	13849.97471	13527.81953	13868.29167	13907.50545
0.35_114.0735m/z	114.0735466	0.346016667	pos	(±)-2-Propylthiazolidine	HMDB0040058	Organoheterocyclic compounds	Azolidines	Thiazolidines			38.2	2.21	M+H-H2O	C6H13NS	-0.271514306	139861.8102	131839.1466	132771.6714	136579.7679	124768.6429	133397.9004	134783.1422	141216.7021	137481.4026	141324.9236	138569.1548	132581.3517	136280.1007	125930.1047	143219.1781	139741.0999	134152.0096	139759.3104	133633.683
0.40_255.2314m/z	255.2314344	0.400033333	pos	(Z)-5-Hexadecenoic acid	88581	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.2	0	M+H	C16H30O2	-1.660919426	47199.67139	47993.07475	46264.41501	46821.74315	43706.16518	45906.85873	48587.42557	47510.58688	43876.58996	46664.70611	46456.31818	46446.19333	48676.87061	46999.44589	47731.77702	47016.749	44731.55513	50353.49684	46240.98836
0.42_171.1741m/z	171.1740705	0.418316667	pos	(Z)-3-Methyl-3-decen-1-ol	87384	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.2	0	M+H	C11H22O	-1.594259279	28937.79823	27283.7183	29117.73234	29149.90677	26605.14063	30418.73103	28435.97249	30096.16045	28286.58145	29290.87215	29016.56628	28089.45348	29752.01294	28072.7915	30629.55459	30023.24696	28832.8046	31180.85607	27321.35332
0.42_221.1171m/z	221.1170521	0.418316667	pos	2-ISOPROPYL-3-METHOXYCINNAMIC ACID	43708	Unclassified	Unclassified	Unclassified			38.2	0	M+H	C13H16O3	-0.766452769	11102.48466	9148.433478	9059.257358	10136.18879	9206.8534	9874.548192	10825.10742	10139.4292	9370.081996	10888.26423	10319.43182	8786.349351	8813.446301	8864.859822	8816.491187	10735.24784	9520.972331	9565.882637	10554.06777
0.54_182.0936m/z	182.0935889	0.541616667	neg	"2,4,6-Triaminotoluene"	71188	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C7H11N3	0.646600065	746.2341011	787.8260559	785.1989572	536.8156616	688.6134893	563.6607704	706.9730607	480.6870827	587.3133177	682.2873561	491.1105756	808.6695495	1063.889161	692.6557387	702.0353215	731.2910653	556.4947743	553.8159481	723.620727
0.58_226.9655m/z	226.9654872	0.582133333	neg	"5-Sulfo-1,3-benzenedicarboxylic acid"	88744	Benzenoids	Benzene and substituted derivatives	Benzenesulfonic acids and derivatives			38.2	0	M-H2O-H	C8H6O7S	-0.387041377	66919.64612	86011.44135	74135.42328	69070.05371	73214.42486	80086.53521	87028.68051	79768.17873	86181.79763	88869.07391	83527.05651	64065.72984	70774.31129	74136.26449	76287.67576	78435.09194	77702.01832	75714.10576	79014.87703
0.61_159.1492m/z	159.1492067	0.60835	pos	(±)-Pelletierine	HMDB0030325	Organoheterocyclic compounds	Piperidines	Unclassified	**	C06182	38.2	0	M+NH4	C8H15NO	0.120669267	716.9839518	928.4796717	877.7578267	493.4429757	1274.357942	967.7483488	934.6814718	2000.685447	1586.975521	693.5874196	683.2059459	488.9735258	711.385109	502.6671288	304.0503243	617.8297421	754.8449072	641.8185037	613.7853599
0.62_293.1355m/z	293.1354914	0.623133333	neg	5-Methylthiopentanaldoxime	64513	Unclassified	Unclassified	Unclassified			38.2	0	2M-H	C6H13NOS	-2.727391365	1420.662891	1693.742094	1555.276783	2688.406427	1418.879132	1340.883565	552.6332512	1417.49971	1365.653776	1133.641984	1443.276387	3876.528176	1135.242872	1333.476124	1767.894719	1562.121956	1359.707815	2234.677868	2732.105988
0.63_143.0817m/z	143.0816763	0.62635	pos	D-Alanyl-D-alanine	HMDB0003459	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00993	38.2	0	M+H-H2O	C6H12N2O3	1.076275194	1640.486421	1441.688521	1417.0793	1121.136795	1728.142959	1401.555272	2059.17092	446.7771039	824.7982108	1758.294055	1539.617129	296.1101345	1538.320141	1649.506847	665.8089487	1326.309667	1372.607588	961.3218685	753.1557874
0.63_318.1292m/z	318.129188	0.62635	pos	N-(1-Deoxy-1-fructosyl)histidine	HMDB0037839	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids			38.2	0	M+H	C12H19N3O7	-1.224846468	4725.096651	6014.703276	6098.65112	6884.762353	5152.016963	2693.718885	3212.680627	5252.111156	6106.888809	2095.230194	7171.968723	13402.03726	3123.843964	6756.141189	5830.268411	4786.599738	4595.470357	5450.464025	7029.050495
0.63_487.2135m/z	487.2135225	0.62635	pos	Glucosylgalactosyl hydroxylysine	HMDB0000585	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		38.2	0	M+H	C18H34N2O13	0.32266136	9491.142961	6460.174779	6568.586347	7945.807843	5766.674878	3337.682118	8416.368423	6266.717822	7358.200137	4668.233129	10228.33712	14926.80122	8575.226395	9230.745887	5655.577158	12181.75781	6459.864985	10140.49847	7597.012572
0.64_233.0213m/z	233.0213162	0.643516667	pos	METAMECONINE	44602	Unclassified	Unclassified	Unclassified			38.2	0	M+K	C10H10O4	1.284710616	13248.26134	12332.98406	14900.47863	15344.8743	13613.62636	13943.82291	12832.18866	14206.81664	14059.02407	12721.96251	13201.79293	17227.89973	13385.36047	13939.49918	14766.20809	13491.81017	13529.43138	14395.40026	15356.5652
0.64_704.8071m/z	704.8070699	0.641183333	neg	Bisdiphosphoinositol tetrakisphosphate	58370	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			38.2	0	M-H2O-H	C6H20O24P8	0.506237269	70791.97529	73623.00436	70835.83186	77114.59704	72388.76973	76088.33523	81687.85578	54673.73466	52475.73081	69737.70913	91954.86723	46621.47848	62517.29985	68784.27543	72514.4295	83719.92867	71043.40513	86072.31484	49970.7343
0.66_429.2404m/z	429.2403745	0.660716667	pos	"PA(19:3(10Z,13Z,16Z)/0:0)"	LMGP10050004	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates			38.2	0	M+H-H2O	C22H39O7P	0.722713537	10451.5887	7690.874987	7844.791936	5751.740476	6377.846662	8592.661917	7099.660047	9875.402163	10890.76818	10560.19376	9720.24525	5262.91088	7639.607162	8236.950157	5300.074298	8999.59845	7770.276526	6773.521268	7530.604725
0.70_177.1001n	216.0628585	0.695266667	pos	Anthopleurine	71488	Unclassified	Unclassified	Unclassified			38.2	0	"M+H-H2O, M+K"	C7H15NO4	0.14695983	17850.6315	22013.41307	20493.05559	13947.94791	23338.89737	20847.19143	29794.39965	10587.86482	10177.74495	29806.67567	14790.56783	7618.442788	26360.24856	24662.3974	27247.08381	15301.02278	25789.15881	10132.61961	10880.91314
0.70_201.0538m/z	201.0537501	0.695266667	pos	L-Homocysteic acid	HMDB0002205	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C16511	38.2	0	M+NH4	C4H9NO5S	-1.195754144	45112.18529	44986.06552	38585.4634	41890.37669	49219.44161	45013.98552	33698.58294	74505.31164	57067.40138	36587.69942	40380.24307	17548.82653	34564.39978	46195.4586	11794.36584	34781.51901	35989.57506	40805.55084	33452.88566
0.70_271.0605m/z	271.0604751	0.695333333	neg	Epicatechin	HMDB0001871	Phenylpropanoids and polyketides	Flavonoids	Flavans	***	C09727	38.2	0	M-H2O-H	C15H14O6	-2.488634771	46215.91558	47384.60017	51939.64883	52435.72289	53920.50972	44533.84667	54096.46501	58762.57021	59309.77367	49398.74992	56031.86953	52782.00584	42376.42626	50211.53086	55985.14324	50116.98722	51977.47173	47168.44344	53817.97844
0.70_309.1287m/z	309.1287336	0.695266667	pos	"2,7-Anhydro-alpha-N-acetylneuraminic acid"	66198	Unclassified	Unclassified	Unclassified			38.2	0	M+NH4	C11H17NO8	-1.746486266	77737.0299	103048.5298	79364.87569	103183.8883	74128.63559	79199.73807	63400.26688	91956.80352	119409.8299	79274.85883	79718.66893	125980.359	69009.69333	85939.92209	72513.40952	100759.8908	79995.25965	87711.98239	92075.89937
0.71_251.1002n	252.1074441	0.712233333	pos	Muramic acid	HMDB0003254	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C06470	38.2	0	"M+H-H2O, M+H"	C9H17NO7	-1.276922469	77747.45304	84848.44634	83704.7161	101705.7547	60740.45899	68460.3114	52953.06761	72127.23082	85457.18803	64863.605	73077.14059	119202.2496	73977.23263	82262.42093	99782.42678	89303.21135	76192.73824	110803.9679	113725.2979
0.73_173.0208m/z	173.020772	0.729216667	pos	"(R)-2,3-Dihydroxy-isovalerate"	62808	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C04272	38.2	0	M+K	C5H10O4	-2.199778366	15274.50855	17301.91757	16127.66559	4624.388345	48945.68273	8011.433521	29618.60436	1374.868438	3465.87374	23885.01752	13879.62051	836.9418081	23977.35292	14965.20756	26779.44701	21843.51729	15510.06221	4509.45972	10540.43134
0.73_443.1208m/z	443.1208239	0.7299	neg	CBHA	44839	Unclassified	Unclassified	Unclassified			38.2	0	2M-H	C10H10N2O4	-0.029929311	16449.20813	15109.06922	9657.964111	11303.08277	9945.070878	6286.133281	13496.25324	16133.26906	9280.531938	8749.22729	16585.79241	13293.14574	16623.31622	17619.86429	14016.25066	16702.13307	15318.01861	13951.94635	15994.94634
0.75_171.0762m/z	171.0762495	0.7465	pos	3-Hydroxyanthranilic acid	HMDB0001476	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	***	C00632	38.2	0	M+NH4	C7H7NO3	-1.10479174	12593.28635	13044.76386	10424.91122	14105.94824	10556.86675	15977.09527	9040.778245	7016.636821	11339.60992	15017.9151	11732.99514	7641.924752	16643.3758	12273.55496	11415.25218	8167.704661	11551.10173	11950.12047	12002.00505
0.75_237.0843n	276.0508863	0.7465	pos	N-Acetyl-D-glucosaminate	65562	Unclassified	Unclassified	Unclassified			38.2	0	"M+Na, M+K"	C8H15NO7	-2.466941819	25456.80472	25363.90021	25717.29387	22680.68294	24975.36722	27403.67334	26338.39167	14485.68427	15398.15709	38979.01041	24457.29885	19096.1138	38777.06671	40220.70926	24480.34013	25620.24374	30496.46382	21444.03806	23256.87725
0.76_140.0105m/z	140.0105107	0.764	pos	t-4-AMINOCROTONIC ACID (TACA)	44303	Unclassified	Unclassified	Unclassified			38.2	0	M+K	C4H7NO2	-3.224938894	634.1822394	1084.091595	854.0101013	666.8753146	666.6279547	524.6119535	607.079515	673.1708257	579.7627684	498.0241898	460.9477043	548.2145644	1250.172826	882.5562228	1744.433295	1073.782961	843.3850668	629.7274911	674.9847583
0.76_174.0760m/z	174.0759983	0.764	pos	IRETOL	43632	Unclassified	Unclassified	Unclassified			38.2	0	M+NH4	C7H8O4	-0.550907205	7457.614103	7480.956293	7020.301598	10735.90866	1980.418106	6968.378151	1855.269212	12524.76941	8297.105641	4696.762251	6117.079714	13350.48987	2918.218948	2801.761925	6641.912369	3930.922891	5379.704779	16385.59728	6584.584833
0.76_256.0812m/z	256.0811593	0.764	pos	DIPYROCETYL	43821	Unclassified	Unclassified	Unclassified			38.2	0	M+NH4	C11H10O6	-1.698420049	10711.32239	11370.873	10185.41302	19890.29317	5415.998924	6302.983034	13481.40467	2520.625197	4187.205665	6371.29692	15567.69875	28506.72681	14836.36681	17967.63365	11586.34019	7461.367338	14183.27958	12328.30134	13795.48927
0.78_223.0453m/z	223.0453033	0.781716667	neg	Gluconolactone	HMDB0000150	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00198	38.2	0	M+FA-H	C6H10O6	-3.581233673	7410.537301	7648.293531	10543.48343	5764.226578	6419.638891	5609.934735	8094.298534	3357.401393	1989.058543	9351.414658	5456.19919	4337.124166	8289.580529	7976.475082	6342.684023	5886.101696	9246.69724	3639.832317	7795.331641
0.78_277.2118m/z	277.2118448	0.781033333	pos	Hexanoylcarnitine	HMDB0000705	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.2	0	M+NH4	C13H25NO4	-1.308077465	19462.48442	19323.77376	17214.04307	13865.88661	36223.48323	45623.8052	12460.13197	20205.09102	19624.30384	28626.50793	10231.4737	8872.686955	10963.74094	11308.73572	20286.36603	16362.80928	17173.27012	11292.49292	8877.050185
0.78_349.0542m/z	349.0541502	0.781033333	pos	"N,N',N"",N'""-Tetraacetylglycoluril"	85163	Unclassified	Unclassified	Unclassified			38.2	0	M+K	C12H14N4O6	-1.103112397	68431.19383	68924.72375	67886.35135	26696.57808	97559.39821	86814.21324	110617.9409	63069.34305	61212.63926	121019.2627	64303.19863	53388.44448	80826.60802	55117.72997	69637.60577	65675.16057	77513.70842	31326.90539	56373.64247
0.80_230.1133m/z	230.1133212	0.798133333	pos	Levoamine (Chloramphenicol D base)	639	Unclassified	Unclassified	Unclassified			38.2	0	M+NH4	C9H12N2O4	-0.995765466	8899.72637	7904.801204	10017.6198	7273.653291	11767.69436	9362.549528	12886.35571	7838.468203	5083.550195	10499.46707	10954.02389	2142.932344	11735.32271	9436.697242	11579.0124	7705.296563	9500.119813	6445.952581	6913.554231
0.90_309.1091m/z	309.109053	0.898616667	neg	"(3S,5S)-Carbapenam-3-carboxylic acid"	71641	Unclassified	Unclassified	Unclassified			38.2	0	2M-H	C7H9NO3	-0.505996635	456.0448721	316.4657864	318.0547418	311.549069	523.969032	438.3963131	0.000297236	284.2802722	164.4569564	582.5095602	414.4677549	226.8613561	437.3082965	514.0700312	180.8681169	89.12944275	315.0740308	312.5631813	542.7754206
0.93_152.0706m/z	152.0705613	0.929766667	pos	1-benzofuran-4-ol	HMDB0129378	Organoheterocyclic compounds	Benzofurans	Unclassified			38.2	0	M+NH4	C8H6O2	-0.325475155	1385.244697	1006.94247	1430.976982	1575.828744	1586.46907	1400.304869	1186.219521	717.4329484	2310.600347	1529.296919	1126.929456	4634.21048	871.7978939	948.8765166	1089.007279	1118.682116	927.8951122	1353.196016	825.7485267
0.96_278.0144n	323.0071012	0.958133333	neg	Treosulfan	HMDB0042046	Organic acids and derivatives	Organic sulfonic acids and derivatives	Organosulfonic acids and derivatives		C19557	38.2	4.08	"M-H2O-H, M+FA-H"	C6H14O8S2	4.829135558	41020.26816	41254.45264	38533.58359	32482.77529	39031.0385	44007.80363	50387.5773	38734.96209	40258.90259	48733.55758	35758.14865	36072.49256	42037.55215	34760.29343	43798.73016	33405.31527	43486.03795	36033.28502	51531.65088
0.97_155.0702m/z	155.0702385	0.968583333	pos	"2,6-DIHYDROXY-4-METHOXYTOLUENE"	44513	Unclassified	Unclassified	Unclassified			38.2	0	M+H	C8H10O3	-0.208313717	7667.562988	7836.052717	7271.41931	7436.116278	7500.964361	7256.924407	8179.672378	7400.581551	7467.716088	8656.751936	9234.657455	7215.370134	7063.560049	6979.532206	8189.552064	7104.228819	6759.439113	7513.564705	6582.127924
0.99_121.1013m/z	121.101299	0.9872	pos	exo-2-Methyl-3-methylenebicyclo[2.2.1]heptan-2-ol	91258	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.2	0	M+H-H2O	C9H14O	0.884841459	3074.584483	3013.410964	2989.227114	3116.699442	2838.810791	2842.007914	3269.884464	2791.427207	3279.87764	2991.12966	3404.05739	2609.62821	2971.907544	2522.444644	2923.454953	2651.401622	2635.087655	2696.446505	2535.929372
1.03_144.1382m/z	144.1382418	1.026666667	pos	6-methyl-5-Hepten-2-one	265042	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*	C07287	38.2	0	M+NH4	C8H14O	-0.386627175	513.5217702	694.2384775	656.6241788	710.7680378	636.7718677	574.705992	578.8110148	593.6522332	558.4219939	554.2141816	536.5358635	555.3650678	693.7904271	604.9486567	612.3101343	423.6236855	641.0007136	594.2417437	431.1213432
1.04_221.0297m/z	221.0296833	1.043083333	neg	2-Ketogulonolactone	341	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C6H8O6	-3.451165747	2018.549659	2235.836085	2892.426929	1716.577014	3521.916894	1062.231796	1467.834684	1568.977268	2245.316667	2259.132487	1787.62442	2023.830093	1645.556835	2147.900087	2128.223327	2291.323416	1833.07764	2079.355525	1702.255521
1.08_229.1544m/z	229.1544172	1.079266667	pos	Methoxamine	1198	Benzenoids	Benzene and substituted derivatives	Methoxybenzenes		C07513	38.2	0	M+NH4	C11H17NO3	-1.192563039	33552.34702	35456.89509	34406.10461	23689.89992	45550.75012	27745.70603	22430.11843	91987.6478	81032.0199	21366.49066	21846.83413	45077.63831	17102.91746	21091.59555	23860.0579	24704.45897	25961.85421	22037.439	19239.50956
1.08_320.0619m/z	320.0618987	1.081483333	neg	3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole	68848	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C10H13NO8	-1.528921596	40533.87132	46469.50367	42519.68786	38044.56496	35590.38309	21049.39388	42312.6263	85627.39643	105355.0031	31485.90151	41421.75673	82542.05839	36195.77896	34100.74236	35940.96474	38212.96863	29624.27306	37869.65185	34742.79756
1.08_342.1190m/z	342.1190448	1.081483333	neg	N-(1-Deoxy-1-fructosyl)tyrosine	HMDB0037845	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.2	0	M-H	C15H21NO8	-1.152397883	16442.99601	17047.50182	16516.17175	20086.78515	17255.08444	13921.93265	16347.2471	15118.56992	15854.23026	15313.41912	15506.39342	20983.75166	13704.74469	19849.35144	17678.04925	19888.73138	13838.12675	15878.48703	19117.84347
1.14_112.0396m/z	112.0396065	1.13905	pos	4-Oxoproline	63471	Unclassified	Unclassified	Unclassified			38.2	0	M+H-H2O	C5H7NO3	2.337415604	315.6037243	213.5963809	278.0155112	245.9551006	367.7599842	220.0808418	187.3087095	160.5514076	211.6619117	188.8955781	528.2458483	195.6927066	173.6827652	250.8231442	193.1133669	271.2679925	229.6028504	336.6286158	86.27728814
1.16_164.0565m/z	164.0565482	1.1594	pos	Pterin	HMDB0000802	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives		C00715	38.2	0	M+H	C6H5N5O	-0.846488056	2857.041575	3330.794553	2959.070471	3617.275824	2003.440747	3179.600832	1884.961203	4686.601179	3581.202175	2211.33121	2386.654315	3738.563624	2395.295224	2040.749012	3368.068227	3554.479134	3909.721356	4994.340052	4073.21906
1.16_237.0376m/z	237.0376053	1.1608	neg	Bovinocidin	HMDB0034259	"Organic 1,3-dipolar compounds"	"Allyl-type 1,3-dipolar organic compounds"	Organic nitro compounds	**	C05669	38.2	0	2M-H	C3H5NO4	4.899983266	461.8822064	298.258074	341.8515071	225.6792302	334.5622869	279.0482892	201.5006952	331.2461226	2380.66512	211.5482349	141.1570555	1682.506695	220.2348429	265.7748106	292.1820453	157.6663783	230.1173939	241.2033663	269.112892
1.18_351.1513m/z	351.1513017	1.1797	neg	D-Alanyl-D-serine	73316	Unclassified	Unclassified	Unclassified			38.2	0	2M-H	C6H12N2O4	-2.372921059	23023.34363	21336.20189	22415.25639	20260.28661	21746.70412	21831.68828	22652.71326	19262.30927	16013.51681	22234.94626	24029.24703	21646.68111	24911.63046	22304.69562	21757.10417	21894.55789	22729.09266	29835.14569	32810.22187
1.20_308.0444m/z	308.0444323	1.199216667	neg	Epinephrine sulfate	58061	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			38.2	0	M+FA-H	C9H13NO6S	-0.489150113	6616.556335	7173.990815	6888.076043	6520.034346	10227.17923	13108.16607	9267.411895	4716.481903	4550.103942	10526.07887	7073.416557	3286.725609	8889.529605	7528.796063	8015.143613	6103.112402	7105.540274	3717.798193	7087.569197
1.22_146.0810m/z	146.0809709	1.219283333	pos	2-Keto-6-aminocaproate	HMDB0012151	Organic acids and derivatives	Keto acids and derivatives	Medium-chain keto acids and derivatives	**	C03239	38.2	0	M+H	C6H11NO3	-1.369715079	95.39352709	145.4712138	94.56873322	213.9697115	0.000297236	79.65496599	198.090955	180.8618588	203.1606694	103.6744212	69.51863052	59.39968515	140.2945115	70.89209354	137.3497843	96.25715114	89.67403216	0.000297236	72.93426135
1.24_124.0393m/z	124.0392738	1.239083333	pos	Picolinic acid	HMDB0002243	Organoheterocyclic compounds	Pyridines and derivatives	Pyridinecarboxylic acids and derivatives	***	C10164	38.2	0	M+H	C6H5NO2	-0.252587745	988.4035492	1132.640278	756.7890574	1075.148681	948.7807712	685.4326669	1126.663238	800.3860825	874.2955167	848.463051	1071.098324	864.0238563	1245.069828	1214.978765	1231.410587	924.5507204	809.9272192	604.3177588	750.5770387
1.24_257.0278m/z	257.0277679	1.2412	neg	Suprofen S-oxide	HMDB0060924	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.2	1.39	M-H2O-H	C14H12O4S	-0.075599301	26316.64593	30351.84903	28507.4775	2986.477878	102943.5279	11426.65052	48113.76993	3650.141193	8485.834293	110826.9203	17957.67684	5067.939075	43245.23744	82963.82163	54081.48669	37610.27462	40868.39963	6615.00438	18927.28811
1.24_547.0906m/z	547.090584	1.2412	neg	Athyriol	68096	Unclassified	Unclassified	Unclassified			38.2	0	2M-H	C14H10O6	4.350325942	6415.981423	8603.72254	8416.856802	0.000297236	24547.84089	2223.842037	10390.93232	0.000297236	1426.293828	30023.9682	4580.974924	884.877373	12918.42876	23796.10791	13986.49386	9980.416197	8462.101395	393.5553939	4709.175971
1.26_407.0818m/z	407.0817501	1.259833333	neg	"{[(3E)-4-{4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-2-methylbut-3-en-1-yl]oxy}sulfonic acid"	HMDB0129084	Phenylpropanoids and polyketides	Stilbenes	Unclassified			38.2	5.57	M-H	C19H20O8S	2.788521929	128706.0271	100799.5128	94894.3144	26436.40531	197503.5667	55873.44326	145262.6315	10573.31156	46716.94441	192803.6704	93294.21404	16943.49213	136789.31	162712.5896	157641.664	116496.6509	96922.7876	48742.30554	83002.25018
1.30_283.1275m/z	283.1274526	1.297066667	neg	Arginyl-Glutamate	85623	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.2	0	M-H2O-H	C11H20N5O5-	-3.806133091	19414.53734	14962.59784	13298.81108	11784.42163	16523.24558	10655.14158	13900.50744	21170.25441	16554.37336	11532.84053	18102.85395	20096.06129	14760.90329	15908.42969	12377.62906	12510.80246	10921.79067	14261.75383	15853.47763
1.36_130.0865m/z	130.0864863	1.355533333	pos	"Cyclohexane-1,3-dione"	65556	Unclassified	Unclassified	Unclassified			38.2	0	M+NH4	C6H8O2	2.06387574	1055.886908	719.0676753	691.8446421	711.371133	773.3492554	996.5258381	859.2302418	1114.960198	864.4874824	874.3626536	1074.105373	990.0451799	707.6343581	804.5736165	1027.337321	737.907971	928.4371854	1139.322219	984.0356887
1.38_152.0707m/z	152.0706564	1.375966667	pos	Phenylglyoxal	HMDB0061916	Benzenoids	Benzene and substituted derivatives	Phenylacetaldehydes			38.2	0	M+NH4	C8H6O2	0.383438067	4020.296881	2807.754737	3916.894745	3779.488465	3561.625323	4080.908024	4289.247433	3751.677816	4340.745283	3932.331617	4135.110071	3481.568793	3209.988012	3852.728234	3830.736053	4287.833826	3802.387695	3795.465373	3533.625387
1.48_323.0837m/z	323.0836659	1.48375	neg	9-dimethylarsinoyl-nonanoic acid	LMFA00000030	Lipids and lipid-like molecules	Fatty Acyls	Other Fatty Acyls			38.2	0	M+FA-H	C11H23AsO3	-3.06749208	541.5606223	670.9389985	507.6534103	219.9175895	862.3458086	299.8338213	953.1451174	73.3176845	144.7954547	796.3025552	471.9029728	158.8923632	820.5171237	985.3312867	821.7762492	798.5692198	830.0873146	268.2403663	695.5553
1.71_213.1120m/z	213.1119543	1.70895	pos	"3,4-Methyleneazelaic acid"	HMDB0059744	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.2	0	M+H	C11H16O4	-0.854025776	1332.543772	2031.198376	1331.956576	1178.295889	946.6819447	1037.720554	1381.92194	872.6746734	1256.276593	1227.500077	1665.984878	1180.422622	1174.293579	1278.632456	961.3434893	1155.613273	1243.603086	1320.712474	1072.968087
1.76_309.1094m/z	309.109362	1.760316667	neg	"(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate"	73385	Unclassified	Unclassified	Unclassified			38.2	0	2M-H	C7H9NO3	0.490471896	369.5782282	353.1332196	314.0787201	309.8618924	511.8171188	359.9676973	502.8931883	248.1037483	83.52398517	538.564043	438.0042758	139.0412871	472.3540232	478.6246845	384.0168494	322.1277647	485.0643219	281.79599	588.5873073
1.77_200.0917m/z	200.0916532	1.768516667	pos	"3,4-Dihydroxyhydrocinnamic acid"	HMDB0000423	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified	**	C10447	38.2	0	M+NH4	C9H10O4	-0.445579618	1737.193647	1823.87312	1860.75567	2050.136847	1094.891953	1344.304108	2103.642991	2537.646999	2445.228018	1339.261995	1911.227277	3027.639323	1923.914082	1908.376417	1693.154808	1240.472495	1516.094677	1400.250347	2000.798508
1.87_265.1193m/z	265.1193095	1.865066667	neg	Phenylacetylglycine dimethylamide	69515	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C12H16N2O2	-0.323307309	615.5741653	702.1587005	536.6695791	360.6880353	995.9436753	641.1467148	805.3531102	305.1383816	246.2175687	784.4968187	559.2463642	177.8072318	609.4294255	840.3397343	690.8362889	499.1790573	631.1002988	341.7334241	733.6336127
1.95_293.0409m/z	293.0408661	1.949816667	neg	(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide	66225	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C11H8N2O5	-2.653284613	1985.003113	1736.795075	1983.455931	101.4624773	393.9901967	190.316806	75.65256645	22231.54363	4407.05463	0.000297236	115.075548	671.368741	193.4895038	121.1947866	83.48893692	35.69492693	56.53887385	125.4092965	170.7764737
10.02_474.2626m/z	474.2625822	10.02045	neg	"LysoPE(18:3(6Z,9Z,12Z)/0:0)"	62293	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		38.2	0	M-H	C23H42NO7P	-0.064566696	4201.373069	2869.436297	4101.437441	3892.523166	6533.277964	6485.821183	3595.878617	3349.71969	4703.431641	5307.257519	2943.804631	6322.950463	6448.112924	4321.669295	4204.946324	3949.612781	4617.176624	3932.301292	4459.804247
10.05_165.0755m/z	165.0755181	10.04785	pos	Rhamnose	HMDB0000849	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00507	38.2	0	M+H	C6H12O5	-1.412859741	454.2162437	398.6603517	404.6128693	265.10377	352.2956721	207.3361298	272.7502926	242.6505928	307.7668525	239.6200957	184.5903948	343.2837198	314.1133454	318.1354889	304.4643811	285.4852097	261.1274643	296.4530996	223.3291933
10.05_476.2631m/z	476.2630721	10.04785	pos	"6,7-dihydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate"	HMDB0134771	Phenylpropanoids and polyketides	Coumarins and derivatives	Unclassified			38.2	17.2	M+NH4	C26H34O7	-2.633761817	12244.62559	12090.4868	13419.2334	9624.48946	11800.73043	10565.54974	8933.723576	9224.373303	9713.177609	8868.647181	9176.019567	8428.935899	9196.220817	8474.085431	9435.490365	6623.481499	8444.830788	11533.57534	9521.802517
10.36_570.2820m/z	570.2820321	10.36063333	pos	Prostaglandin E2 p-benzamidophenyl ester	45605	Unclassified	Unclassified	Unclassified			38.2	0	M+Na	C33H41NO6	-1.053670296	77118.19606	88593.44871	83901.50079	102577.5555	88189.22683	136951.0961	90910.96943	41398.5138	44920.8107	88089.00971	90184.02822	62217.44428	116337.9332	99600.20316	96674.1087	97256.91898	106437.4814	99580.56867	133139.8694
10.74_487.0011m/z	487.0010764	10.74271667	neg	3-[3-(sulfooxy)phenyl]prop-2-enoic acid	HMDB0127985	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			38.2	0	2M-H	C9H8O6S	0.071436501	5801.811164	3968.895411	6095.087684	6278.121399	6043.405227	6230.501942	6025.057168	6591.704455	7242.374333	5725.29081	6761.917842	5350.965149	6906.561465	5342.54162	6073.599622	6698.358256	6740.057851	5108.357823	6113.724923
10.81_421.2810m/z	421.2809903	10.80621667	neg	Atraton	72840	Unclassified	Unclassified	Unclassified			38.2	0	2M-H	C9H17N5O	3.898671546	3111.714415	2527.930461	2891.295662	2133.591606	1961.152311	2118.193344	1735.472891	1596.06866	2102.928833	1588.11005	1835.160915	2150.014134	2602.415113	3029.851923	2230.891119	2201.80305	1686.663389	2235.051345	1998.042503
10.92_506.3239m/z	506.3239411	10.92275	pos	"LysoPE(20:2(11Z,14Z)/0:0)"	HMDB0011513	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	***		38.2	0	M+H	C25H48NO7P	-0.346087354	6900.791969	5926.244686	5957.917833	5053.364838	4928.56576	2427.390231	6777.485797	5686.937747	6853.813454	1416.266585	3608.207648	11798.88949	7936.223787	5770.856488	6907.873803	4879.645862	6122.203732	6206.481025	6137.977771
10.95_387.2152m/z	387.2152488	10.9545	neg	E-64d	64821	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C17H30N2O5	4.598971305	38439.43955	34682.88805	38923.45478	32679.56706	23611.77636	48548.13213	28112.74959	52211.08143	24355.82061	33113.97726	28444.651	68594.89266	24657.52265	25052.08824	39569.34994	45250.67877	49972.79286	56439.17231	50864.97277
11.11_277.2156m/z	277.2155819	11.10751667	pos	13-OxoODE	LMFA02000252	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	**	C14765	38.2	0	M+H-H2O	C18H30O3	-2.123096468	5839.608453	5532.687646	5888.771295	9889.211762	3611.986196	11966.67267	3918.609565	2387.363091	1459.454786	3427.133911	3829.76329	2410.15115	6026.681245	5570.736287	8643.24245	6831.763242	8414.919191	11811.44039	10124.75485
12.08_347.2589m/z	347.2589196	12.08116667	neg	(15:1)-Cardanol	68576	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C21H34O	-0.82379184	1427.28345	1446.533835	1312.516117	1262.513427	1425.532272	1849.329501	1801.683924	1890.030385	2565.739711	1798.394349	1101.637917	2003.60682	1176.552057	1419.346146	1287.897406	1526.94012	1913.076363	1378.773163	1462.91129
12.21_922.5782m/z	922.5782341	12.20761667	neg	"PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	LMGP03010004	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			38.2	14.2	M+FA-H	C49H84NO10P	-3.707114723	343065.4877	268466.3491	335616.0898	322561.4262	280393.376	290720.1048	330998.7271	330870.474	325152.0635	321057.0398	326098.5069	347188.2874	366963.1665	285442.128	271693.1284	302384.0108	250932.1537	169302.3252	281814.8745
12.40_239.0667m/z	239.066711	12.39566667	neg	Dinoterb	72454	Unclassified	Unclassified	Unclassified			38.2	0	M-H	C10H12N2O5	-2.641269505	1289.756813	1260.888676	1282.052826	986.2734016	1312.206267	1122.767679	1252.598019	1414.119203	1356.759546	1273.550224	1425.651351	1028.234464	1267.893291	1053.275251	1267.558642	1193.133978	1413.056992	1493.7097	747.535598
12.44_371.2550m/z	371.2549841	12.44303333	pos	Dinorlithocholic acid	LMST04050010	Lipids and lipid-like molecules	Sterol Lipids	Bile acids and derivatives			38.2	1.71	M+Na	C22H36O3	-1.957191439	47054.05525	31648.45043	45360.32374	45828.20739	43900.1716	46101.93843	49312.55999	44813.99858	43416.83598	48175.09902	48421.15041	40453.28032	40942.62487	42483.57096	44044.54664	49317.40496	46101.1418	47480.33763	46370.50454
12.56_286.3097m/z	286.3097189	12.56118333	pos	octadec-11Z-enol	LMFA05000095	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			38.2	0.805	M+NH4	C18H36O	-2.692635447	53865.44157	46763.53625	55248.02159	55154.14534	52000.35597	51894.50882	54299.6738	55342.87451	51553.60195	54957.18847	57143.40869	49187.38833	52288.07218	50917.58527	52165.93555	53772.93655	55568.20474	58372.66777	55038.82266
12.69_280.2399n	279.2325834	12.69031667	neg	Rumenic acid	LMFA01030118	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	**	C04056	38.2	0	"M-H, M+FA-H"	C18H32O2	-1.32182952	5174.946293	4018.921775	4294.33337	3226.854476	5600.936064	3198.57528	2795.15447	9481.86873	10134.57668	2777.190398	2962.113963	10099.22618	6260.931444	4082.071352	4928.877989	3703.382124	4052.686668	4800.062985	3057.091863
13.03_109.0762m/z	109.0761847	13.02666667	pos	"2,6-Dimethylpyrazine"	90558	Organoheterocyclic compounds	Diazines	Pyrazines	*		38.2	0	M+H	C6H8N2	1.480984994	19191.5976	16538.60264	15272.3589	16138.85785	15640.31203	15854.66933	16082.2755	21687.10142	19983.14784	18905.3253	21175.62649	16086.17403	16475.73397	15329.79612	15877.88093	16309.84928	15318.03189	14956.40061	14432.86314
13.07_273.2571m/z	273.2570714	13.06516667	pos	"(3S,6E,10E)-1,6,10,14-Phytatetraen-3-ol"	HMDB0035083	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		38.2	0	M+H-H2O	C20H34O	-2.088092871	3940.419853	2579.747353	3963.093475	3039.190798	4580.756158	4483.520512	5146.400762	2120.343595	3820.682039	7071.964801	4064.118762	2731.953188	4074.228234	4452.664507	4311.256883	4006.185235	3600.050211	3753.816302	3465.784069
13.79_182.0219m/z	182.0218841	13.78736667	pos	O-Phospho-L-threonine	62028	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C12147	38.2	0	M+H-H2O	C4H10NO6P	3.00786257	7028.11966	6941.11305	8867.241848	8359.681014	8124.099218	8283.886877	7251.629534	8013.336664	8040.619621	7726.628142	8078.46579	7146.741878	8482.515942	8321.692899	8279.405078	8849.630306	9347.456225	9154.771892	8525.291047
14.22_423.3266m/z	423.3265765	14.22103333	neg	"4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol"	6062	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	**	C15808	38.2	0	M-H2O-H	C29H46O3	-0.627766512	2279.24233	1716.260472	1943.387677	2256.340157	1937.785614	2973.597201	1704.372385	2556.515185	1022.001139	1276.047813	1745.826236	2601.095951	1888.906183	2542.221313	2881.456261	1521.441241	3171.353411	1837.892363	2446.995914
14.45_158.0962m/z	158.0961919	14.44995	pos	4-(Dimethylamino)cinnamaldehyde	85013	Unclassified	Unclassified	Unclassified			38.2	0	M+H-H2O	C11H13NO	-1.335925241	4907.216873	3907.205402	4538.34883	4616.468815	4330.612091	4639.590763	4637.891302	4656.841311	4452.54159	4708.870139	5009.877495	4262.240515	4198.622629	4373.549216	4607.919435	4408.263822	4172.221153	4879.391472	4764.885899
14.79_354.9834m/z	354.9833648	14.79106667	neg	"Ribulose 1,5-diphosphate"	377	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C5H12O11P2	-1.04056193	6106.215751	5819.137577	6795.318351	2808.668427	4479.656728	3980.41312	7135.089055	7049.899002	6312.292116	5432.389822	7148.178675	4831.000887	6268.292553	5970.594183	8270.677574	5367.674197	7459.800465	8581.048799	7191.75933
15.55_113.0710m/z	113.0710252	15.54558333	pos	2-Hydroxypyridine	HMDB0013751	Organoheterocyclic compounds	Pyridines and derivatives	Hydropyridines		C02502	38.2	14.7	M+NH4	C5H5NO	0.90361601	152614.6784	152774.4031	149259.6392	157804.3764	148550.3018	146657.0442	145386.295	142358.1089	147545.1245	156409.4584	153961.88	149019.2355	147258.7728	144138.3608	152968.7922	156619.7731	141407.12	147362.196	141394.7334
15.74_126.1022m/z	126.1021839	15.73598333	pos	1-Methylhistamine	HMDB0000898	Organic nitrogen compounds	Organonitrogen compounds	Amines	**	C05127	38.2	0	M+H	C6H11N3	-3.117055438	42734.10024	48703.11779	46778.95297	47098.9893	36224.01652	37905.6802	40098.03498	36628.75447	39720.9537	41767.57097	43014.59277	41809.65672	43126.95447	43873.76521	47702.7156	51279.37917	43763.47158	41939.67981	39518.18964
15.85_155.1427m/z	155.142749	15.85248333	pos	beta-Geraniol	HMDB0035155	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	**	C01500	38.2	0	M+H	C10H18O	-1.898527926	23265.87554	21531.87326	19915.83762	22652.37991	22375.49158	22498.79246	22111.74542	23738.82469	20942.1635	21928.03728	22830.64578	21513.69093	20554.04938	19476.17619	21010.08109	21658.4459	19864.60227	20021.33704	21390.03484
2.05_258.0978m/z	258.0977691	2.054766667	neg	Kainic acid	44252	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C10H15NO4	-2.542038112	1901.087298	1818.12543	1539.394882	1705.535564	1804.699555	1874.506073	1979.73295	2349.866544	1424.406659	2392.231974	2021.166326	1781.582925	1895.000512	1790.387444	2185.310334	2106.019149	1827.881831	2006.343686	2041.342312
2.05_355.1467m/z	355.1467294	2.054766667	neg	N-Desmethylcitalopram	HMDB0014021	Benzenoids	Benzene and substituted derivatives	Phenylbutylamines	**	C16608	38.2	0	M+FA-H	C19H19FN2O	1.241420957	1932.901719	2526.918108	1877.263974	1588.458351	2339.955915	1527.719778	1956.591859	1182.584285	963.469087	1713.562796	1298.018417	1478.933453	2060.775672	1924.123616	1878.311597	1655.852784	2305.209498	2342.759837	3825.694455
2.05_712.2199m/z	712.2199157	2.054766667	neg	"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[5,9-dihydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-4-phenyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid"	HMDB0126106	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.2	0	M-H	C34H39N3O12S	2.450052426	196963.5906	250405.9198	221489.359	214045.2283	238078.2978	186662.3409	211805.0332	145981.1237	107502.7746	201197.0583	189672.9392	184084.0703	243130.7798	240376.7079	231974.6033	208929.6864	258678.2004	239363.6102	380298.3964
2.31_112.0396m/z	112.0395938	2.3126	pos	"(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid"	HMDB0062585	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C04281	38.2	0	M+H-H2O	C5H7NO3	2.239266642	682.7522576	502.6429303	683.3171922	673.0034829	586.8720946	606.0279561	662.3823377	769.6094613	596.17497	704.9678417	676.5605538	693.6979038	580.6169749	539.7576013	634.4970025	749.6359693	609.1164124	668.974511	674.5169885
2.41_112.0396m/z	112.0395997	2.412083333	pos	"2,5-Dihydroxypyridine"	63886	Unclassified	Unclassified	Unclassified			38.2	0	M+H	C5H5NO2	2.6557178	769.5686079	536.9410263	636.2730361	697.0741498	539.0800737	723.3060851	687.7441476	757.9899607	570.3160571	725.7379054	722.7075427	559.5036456	554.9445133	663.7598509	650.132123	844.0808394	588.8309409	645.8784157	705.5961568
2.59_112.0396m/z	112.0395878	2.586333333	pos	"2,6-Dihydroxypyridine"	63881	Unclassified	Unclassified	Unclassified			38.2	0	M+H	C5H5NO2	2.548414419	426.3664191	415.6883868	482.3037682	428.947773	424.4219016	483.304397	431.5333697	520.4617652	439.7190911	502.3560618	513.9595155	478.7377826	399.1532696	484.2488038	481.3765994	447.6708222	458.6223295	420.297809	445.1274586
3.27_202.1075m/z	202.1075124	3.27205	neg	Acetyl-D-carnitine	LMFA07070049	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.2	0.206	M-H	C9H17NO4	-4.771507901	2150.631384	1993.703435	2195.045674	2170.672326	4094.81642	5547.089207	2401.651638	427.7251731	790.3996544	5539.556872	2652.756996	610.3345475	2327.029866	2059.013759	1356.321176	1301.597624	1077.947597	1603.406149	1343.866024
3.51_310.0865m/z	310.086478	3.51475	neg	H-8	45237	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C12H15N3O2S	-0.839749774	484.6279532	560.3052055	703.5799334	944.0803181	701.0998284	715.4146609	469.363881	1102.779311	720.8691126	697.9990793	305.108939	639.5976327	452.1105307	601.909439	342.4091445	486.4797053	584.94407	414.0813002	594.5169342
3.54_221.0917m/z	221.0916526	3.538083333	pos	Anibine	68135	Unclassified	Unclassified	Unclassified			38.2	0	M+NH4	C11H9NO3	-2.048949885	5404.190745	5395.39155	6209.602862	5528.693931	6029.58633	5865.524794	6385.366499	4664.173255	4880.455273	5393.434625	5368.104736	6102.298126	5335.67807	6529.244708	6231.954623	5625.959636	6608.501995	5605.059045	6190.284578
3.66_155.0449m/z	155.0449382	3.65905	pos	Imidazol-5-yl-pyruvate	63492	Unclassified	Unclassified	Unclassified			38.2	0	M+H	C6H6N2O3	-1.170126524	23471.00302	24905.74656	24206.3275	26818.8817	24266.14006	21976.26164	21569.99608	23814.98336	21409.13492	26212.05304	23826.74402	22247.59784	24916.49055	25596.89363	27572.42929	28143.23033	25973.24608	23422.26456	23226.73082
3.83_103.0506m/z	103.050616	3.82585	pos	N-Formiminoglycine	63399	Unclassified	Unclassified	Unclassified			38.2	0	M+H	C3H6N2O2	4.038709743	82.99886067	109.2070343	108.6369888	89.33760539	86.07189513	94.29216572	80.95298551	88.28815325	61.10240486	86.98598653	103.9120084	178.475854	117.171425	84.78821247	58.02221906	160.1488483	106.8526985	70.06464895	71.72782298
3.85_161.1172m/z	161.1172193	3.847383333	pos	5-Hydroxyvalproic acid	HMDB0013898	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C16650	38.2	0	M+H	C8H16O3	-0.00958646	213.8294617	275.1455272	156.0470001	194.9550396	219.2728078	233.7174697	245.8240311	341.5937894	200.8930785	279.1555286	255.2685813	356.2079006	289.9282832	239.61497	341.8652993	247.1101413	208.7099828	237.0839018	218.8984122
3.89_195.1019m/z	195.1019498	3.890083333	pos	"3-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol"	HMDB0126162	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	*		38.2	0	M+H	C11H14O3	1.953199554	1284.995284	1181.861832	1257.357544	1306.278723	1175.404887	1123.539862	1140.349438	1335.334141	1093.380715	1382.206928	1311.307681	1801.087719	1193.839048	1127.873903	1266.316182	1228.71249	1347.790861	1255.104352	1086.306446
3.89_212.0921m/z	212.0920538	3.892883333	neg	3-Methoxytyramine	67	Benzenoids	Phenols	Methoxyphenols	**	C05587	38.2	0	M+FA-H	C9H13NO2	-4.654327953	614.651039	684.3434633	731.6231078	565.0127356	1091.687929	534.4191138	462.3943551	1494.318162	1076.546603	469.7068107	459.2253504	956.8718813	714.0359777	623.0810765	503.5245877	320.4309159	496.8720804	422.7830233	877.3307052
3.93_408.1764m/z	408.1764304	3.930916667	pos	1-Hydroxytacrine glucuronide	2621	Unclassified	Unclassified	Unclassified			38.2	0	M+NH4	C19H22N2O7	-0.246480891	3852.97927	3565.497906	3943.443023	4107.818255	3459.234485	1642.417492	5248.426875	1178.738931	1727.483814	1872.825545	5323.190835	2710.034594	5194.309052	3716.071229	2466.274212	2532.984902	4336.856941	4340.421012	4704.989755
4.08_491.1913m/z	491.1913253	4.078183333	neg	N-Acetyl-D-tryptophan	65911	Unclassified	Unclassified	Unclassified			38.2	0	2M-H	C13H14N2O3	-4.638183014	2351.563462	2333.006022	2369.687375	2447.336175	2333.465405	1943.850033	1881.780564	2936.8474	2231.441366	1614.57441	2286.164561	3758.165012	2253.075314	1978.273443	2205.80208	2805.334413	2066.135331	2410.429291	2881.333513
4.10_274.1106m/z	274.1106131	4.098233333	pos	Benfuresate	72258	Unclassified	Unclassified	Unclassified			38.2	0	M+NH4	C12H16O4S	-0.556306066	1937.856263	2255.351146	2252.71624	1377.054511	1742.829091	1706.298709	1256.529398	5066.956135	3429.825583	911.8688916	1541.892301	2244.381059	1390.606583	1981.318529	2125.925198	1359.914769	2489.104438	2850.818689	1606.364769
4.35_309.0720m/z	309.0720393	4.351383333	neg	"5-(3,4-Dihydroxyphenyl)-5-ethylbarbituric acid"	1819	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C12H12N2O5	-2.972855647	11490.56433	12680.60747	12492.73337	6940.682006	6483.290555	6427.258548	8455.854281	6175.245241	35926.98645	8131.322788	8166.902407	20972.38521	36140.84832	6632.634881	6372.262559	7231.189949	14310.98786	8721.452222	11825.00027
4.53_149.0596m/z	149.0595533	4.532133333	pos	"1-Phenyl-1,2-propanedione"	HMDB0035243	Benzenoids	Benzene and substituted derivatives	Phenylpropanes	**	C17268	38.2	0	M+H	C9H8O2	-1.030920756	2958.069225	3255.075046	3207.773563	3200.043312	2778.06006	3068.527493	3020.710386	2625.620344	3749.209309	3135.858861	3236.218563	3216.999304	2975.516388	3083.684461	3318.966334	3485.203675	3077.222922	3198.27028	2770.928431
4.85_244.0644m/z	244.0644443	4.85115	neg	2-(4-Methyl-5-thiazolyl)ethyl propionate	88448	Organoheterocyclic compounds	Azoles	Thiazoles			38.2	0	M+FA-H	C9H13NO2S	-2.301973868	260.0094217	155.4961032	215.1719151	290.8635843	126.054825	269.358812	84.64265625	379.357956	565.5973427	156.1002743	191.9736324	302.0924258	130.817515	77.89336439	165.7197222	191.2554936	220.0692653	289.7887531	265.9803694
4.87_407.2077m/z	407.2076504	4.869566667	neg	"11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al"	LMST02030187	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	**	C05473	38.2	0	M+FA-H	C21H30O5	0.340931085	443.443441	361.1993863	404.7732849	332.1782077	262.4544709	237.7030819	508.9700335	286.0244924	0.000297236	370.4722207	608.4366075	152.0313731	663.1834309	788.2769186	853.0959877	642.7871529	940.5031568	428.1532162	439.6931853
5.00_267.1563m/z	267.1563129	5.003183333	pos	Menthyl ethylene glycol carbonate	HMDB0036141	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.2	2.28	M+Na	C13H24O4	-1.503020975	3551.855874	3119.076034	3472.901917	3287.883719	3202.128856	3282.475437	3627.11462	3304.881369	3292.204816	3921.663843	3448.037892	3140.579183	3488.915538	3281.737403	3228.053459	3518.083616	3761.465364	4182.873912	2759.978423
5.02_237.0690m/z	237.068987	5.02275	pos	Acetaminophen-cysteine	579	Unclassified	Unclassified	Unclassified			38.2	0	M+H-H2O	C11H14N2O3S	-0.937062104	484.4292911	331.3749853	471.3836175	1258.805958	220.4277404	15.97703633	102.7977897	27.43886383	137.3175995	12.63753861	513.1489632	606.3232451	99.45752576	229.3531278	725.8616949	1009.832301	745.6435781	774.3268982	150.1845783
5.02_333.0565m/z	333.0565271	5.017966667	neg	Orotidine	5754	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Unclassified	**	C01103	38.2	0	M+FA-H	C10H12N2O8	-3.614272486	651.4621707	702.9096474	700.3584502	1130.622229	457.9749795	1106.873852	1048.533793	0.000297236	128.4295589	836.9388872	1351.860729	598.0948491	630.5973031	338.9772429	1295.91066	936.5824151	1043.281588	1064.374423	374.2382768
5.04_230.0123m/z	230.0122698	5.038466667	neg	Benzeneacetamide-4-O-sulphate	HMDB0059994	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			38.2	0	M-H	C8H9NO5S	-2.584985101	360.9432843	232.7316322	249.6762914	233.9488723	400.4367269	292.8550741	295.4927958	353.6730342	271.1760313	277.3884258	291.0964647	189.0005877	259.060929	226.2951409	169.1085074	208.6710535	259.655938	223.5686582	263.0653815
5.06_197.0001m/z	197.0000756	5.0602	neg	3-Sulfinoalanine	HMDB0000996	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00606	38.2	0.0802	M+FA-H	C3H6NO4S	0.783203701	1274.352444	1136.044792	1122.197256	81.78956803	36.61463549	22.38668236	48.86756068	7798.801365	8499.326717	59.06368778	20.82870934	4152.394333	28.67468499	30.99590108	61.96560682	80.62084009	33.58776416	70.82520481	59.86480654
5.38_181.1221m/z	181.122073	5.379533333	pos	"Methyl 2E,4Z,6Z-decatrienoate"	LMFA07010482	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.2	0	M+H	C11H16O2	-1.294626425	2346.896413	2449.658123	2395.658416	2327.393618	2149.641081	2058.095679	2212.816669	2254.002876	2095.531664	2171.107781	2375.436462	2407.569833	2141.706545	2352.925071	2382.245758	2429.214634	2218.237883	2291.413252	2637.223585
5.44_365.1921m/z	365.1920728	5.437316667	pos	"2,3-Dinor-6-keto-prostaglandin F1 a"	HMDB0002277	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		38.2	2.41	M+Na	C18H30O6	-4.051806944	3014.000673	3103.633821	2907.955928	3025.389013	2150.090012	2745.481738	3325.170988	3511.485204	2734.12751	2346.286325	3738.786576	2968.324153	3339.232463	4649.479655	2942.560947	2924.788851	2862.548931	3813.080596	4337.123428
5.45_225.1126m/z	225.1125913	5.446083333	neg	"Methyl 2Z,4E,6Z-decatrienoate"	LMFA07010483	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.2	0	M+FA-H	C11H16O2	-3.560473813	385.4922391	505.1341677	455.3691391	536.81155	761.8386503	324.773366	898.4831978	614.4235942	713.6478335	543.35725	949.4269924	640.1193811	806.2439529	839.2647216	748.0136165	736.9233964	615.528946	497.3399493	984.3848614
5.55_214.1441m/z	214.1440709	5.549333333	neg	Lupinine	43880	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C10H19NO	-4.707359193	879.5260936	919.6874304	983.0967598	1053.833482	872.9887895	768.6356634	1323.457037	1134.459434	873.7649921	975.3833874	896.7215389	875.1403781	941.1059202	851.5091052	812.2180507	949.8754959	1060.736844	963.1109092	1031.146826
5.74_183.1014m/z	183.1013549	5.740583333	pos	Dihydroconiferyl alcohol	68331	Unclassified	Unclassified	Unclassified			38.2	0	M+H	C10H14O3	-1.185307666	2481.590154	2532.084605	2357.135305	2430.894169	2262.533709	2388.351082	2500.129352	2523.279484	2368.73033	2460.040787	2452.845124	2481.084611	2461.095191	2556.807505	2595.066997	2479.303067	2268.730954	2384.272856	2421.162302
5.81_301.1113m/z	301.1113222	5.813733333	neg	Echothiophate	HMDB0015190	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts		C06975	38.2	0	M+FA-H	C9H23NO3PS+	-1.979396998	776.9372057	955.5167579	1037.826349	715.3032001	154.9755098	249.1726096	1048.348362	2742.086197	2287.609837	141.2577511	1044.23481	940.0070433	112.9709911	155.0474287	1370.09457	1946.108029	1879.260086	1282.51588	52.18135548
6.46_152.0163m/z	152.0163297	6.46085	pos	"1,2-Benzisothiazol-3(2H)-one"	89917	Organoheterocyclic compounds	Benzothiazoles	Unclassified			38.2	0	M+H	C7H5NOS	-0.870958712	1098.87362	1182.881418	1229.203311	1190.790905	1292.578836	1279.003997	1238.620599	1171.190436	1277.179565	1313.713314	1352.228799	1133.775307	1220.230737	994.1755407	1247.426705	1277.622096	1236.909801	1231.149614	1154.050129
6.46_539.2501m/z	539.250099	6.461933333	neg	"7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate)"	HMDB0033655	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.2	0	M+FA-H	C26H38O9	0.633964701	247.1915381	448.7355829	338.3513031	0.000297236	0.000297236	0.000297236	0.000297236	1340.293723	1361.161107	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	1951.431207	1871.661355	1151.740777	1416.565204	0.000297236
6.48_505.2032m/z	505.2032398	6.4798	neg	Pyricarbate	69497	Unclassified	Unclassified	Unclassified			38.2	0	2M-H	C11H15N3O4	-3.942493616	2420.025272	2165.259406	2355.150464	3969.307253	844.4369675	3879.475658	1597.506942	1470.391227	521.6039209	1397.330706	1695.159121	2274.631239	1359.98318	1557.120636	2552.111007	2325.190249	3301.793993	4176.508281	3962.898451
6.75_222.9773m/z	222.9773423	6.745816667	neg	4-thiodimethylarsenobutanoic acid	LMFA00000041	Lipids and lipid-like molecules	Fatty Acyls	Other Fatty Acyls			38.2	0.0165	M-H	C6H13AsO2S	-2.693825964	13872.10116	14441.77483	15372.72848	15660.24062	16589.9994	14993.48414	18582.15328	14042.29391	14533.43051	15632.03731	16174.46823	14170.89302	15633.29351	15248.45933	14580.56021	15176.89959	15375.83652	16021.17875	14693.56504
6.75_290.9651m/z	290.9650798	6.745816667	neg	4-Mercapto-5-methyl-3(2H)-thiophenone	94376	Organic acids and derivatives	Vinylogous thioesters	Unclassified			38.2	0	2M-H	C5H6OS2	1.173575386	6270.755677	5704.921833	6420.011616	6735.291781	7152.099859	6054.846496	7843.395632	5551.951672	5833.63223	6341.384343	6772.146726	5681.540356	6581.861007	6792.433517	5904.486802	6749.356576	6119.486133	6664.110169	6105.275983
6.87_498.2896m/z	498.2895571	6.873266667	neg	Tauroursodeoxycholic acid	HMDB0000874	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	***		38.2	0.349	M-H	C26H45NO6S	0.148964949	19741.90433	19324.66852	18342.21615	28183.06978	28281.75902	28359.41439	13817.87149	349.4650795	1534.929559	31288.66657	19259.47982	1196.123422	13279.52153	15760.94931	67344.73292	37615.69107	62473.43981	53814.3873	9436.190677
7.20_340.1562m/z	340.1561521	7.196716667	neg	hydroxydoxepin M1	2464	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C19H21NO2	2.440451378	1016.149471	1282.09473	1384.031092	1030.633538	1482.346846	1023.608771	1186.395718	988.1102681	1276.621011	1108.384305	2158.171224	673.9279418	1363.930233	1689.603396	1223.834868	892.7588354	975.2717644	1498.68106	1112.782129
7.30_408.2027m/z	408.2026957	7.303466667	neg	Meptazinol glucuronide	1141	Unclassified	Unclassified	Unclassified			38.2	0	M-H	C21H31NO7	-0.19603202	1756.845378	1256.416768	1225.124112	1997.297473	1380.050573	2637.392496	1777.00363	327.8869374	501.8387634	1620.071282	1857.789958	455.7947558	1634.404587	2978.096121	1435.550846	1571.643018	2031.834086	1858.526268	421.0923098
7.35_345.1553m/z	345.155333	7.346516667	neg	"(1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside"	89089	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		38.2	0	M-H	C16H26O8	-0.457417732	1226.686885	1447.868627	1016.957242	892.6617997	1141.878688	1384.871775	841.8142155	1495.762856	1541.13838	1076.233098	1188.818852	1416.126725	1138.295891	1270.947217	1590.05162	1094.922658	941.9236843	989.5663887	1116.587739
7.54_399.2387m/z	399.2386853	7.541566667	neg	Troxilin B3	36371	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C14811	38.2	0	M+FA-H	C20H34O5	-0.400156426	810.6435085	1225.626868	988.1924585	1487.89706	712.1729616	2303.554645	555.5121348	812.5986765	266.5158096	1153.85446	1297.619535	731.554093	1310.18589	924.9740025	884.22827	1027.512464	1205.332676	1562.520566	1285.067148
7.78_257.1755m/z	257.1755363	7.783116667	neg	(±)-(E)-3-Methyl-4-decen-1-yl acetate	88715	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		38.2	0	M+FA-H	C13H24O2	-1.397742317	978.5255887	918.941072	1042.68666	577.4399889	1163.286976	1427.554823	712.6807621	1718.33211	2193.71865	1137.92192	659.1153663	865.001393	696.8199755	594.496488	679.1763592	850.3906168	660.8725201	730.4777263	722.2370577
9.06_172.9401m/z	172.9400983	9.056583333	neg	Calcium oxalate	71722	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C2CaO4	-2.766923685	4223.658208	4444.272592	4340.735577	4624.049577	4568.199182	4521.003057	4293.953167	4536.739798	4748.649418	4609.30467	4756.862014	4230.510859	4399.86375	4171.850955	4575.583715	4747.302395	4343.763133	4699.510535	4435.990584
9.11_331.1495m/z	331.1494947	9.111633333	neg	Fluorene	66720	Unclassified	Unclassified	Unclassified			38.2	0	2M-H	C13H10	0.814264595	859.1125307	923.747431	785.1526051	566.4606816	1092.662863	506.9461772	912.0114365	1159.471269	1060.787686	857.144813	902.8201571	608.656341	580.5526855	824.772595	1172.97389	816.0905655	573.434099	546.7340718	682.7403562
9.37_159.0650m/z	159.0650347	9.371833333	pos	"2,3-Dimethyl-3-hydroxyglutaric acid"	HMDB0002025	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.2	0	M+H-H2O	C7H12O5	-0.854820564	1558.494253	1497.05925	1431.418268	1451.200879	1372.439683	1410.296777	1596.573897	1472.964833	1386.131699	1601.212343	1546.299049	1525.889761	1580.083301	1527.837255	1589.6158	1550.538414	1355.281366	1563.854681	1047.653251
9.41_360.2756m/z	360.2756128	9.41125	neg	6-hydroxysphingosine	LMSP01080003	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			38.2	0	M+FA-H	C18H37NO3	0.208817062	1066.311775	903.4711332	1036.926706	1498.3778	1775.035388	697.6811026	1626.474932	734.4021408	644.7071798	1297.282696	1234.95372	589.0111676	796.3480686	1327.936687	1193.942979	1596.792618	632.1629406	939.2109874	1184.696015
9.44_269.2105m/z	269.2105332	9.4351	pos	"10,11-Epoxy-7Z-hexadecenoic acid"	LMFA01070026	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.2	0	M+H	C16H28O3	-2.192328334	2549.108729	1885.645462	2085.488769	1914.980008	1857.275693	1873.082553	1950.421145	1895.831671	2005.149205	1888.218037	2175.042833	1959.042008	2333.746437	1777.541318	2042.275793	1935.761398	1934.653066	2157.257952	1926.764946
9.59_287.2229m/z	287.2228675	9.58745	neg	Valproic acid	HMDB0001877	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C07185	38.2	0	2M-H	C8H16O2	0.292819891	948.2404271	966.1936414	958.4451892	766.8452574	857.4658135	745.2551854	792.5649499	912.4804962	836.5208516	941.444044	959.5558879	815.3534451	804.0280269	646.3405044	937.8361894	916.545061	805.8327038	602.433406	886.7510961
9.60_338.2660m/z	338.2659597	9.602583333	pos	4-hydroxy-8cis-sphingenine	LMSP01080009	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			38.2	1.43	M+Na	C18H37NO3	-1.9191169	2608.41887	2560.675186	2853.375191	3170.723555	3558.153172	2033.485347	3119.085643	2674.822748	2546.388883	2702.191708	2711.926049	2842.871655	1981.985514	1275.099146	1217.131574	3774.685932	2170.88362	2391.914159	2841.048846
9.69_224.0922m/z	224.0921757	9.687416667	neg	Phenacetine	486	Unclassified	Unclassified	Unclassified			38.2	0	M+FA-H	C10H13NO2	-3.661817517	464.3454531	491.4955338	377.9599971	505.6355171	475.7736298	521.2817395	479.6313468	453.9326048	350.5769232	373.2422689	540.2937584	477.4565907	574.6775788	774.2716004	464.7393257	541.8021565	451.0138875	523.2819167	389.2862224
9.71_194.0813m/z	194.0812553	9.7085	neg	Clasto-Lactacystin β-lactone	63076	Unclassified	Unclassified	Unclassified			38.2	0	M-H2O-H	C10H15NO4	-4.746920236	7720.632477	10660.17712	8168.971193	7962.939125	8673.073128	8617.831897	9283.339961	9700.516318	8810.927086	9282.645431	9511.4618	8148.850766	11084.97558	10201.87278	8829.045872	8584.253043	8380.009483	8557.441728	8636.430699
9.88_283.1305m/z	283.1304733	9.87715	pos	"2-methyl-2-(4-methylpent-3-en-1-yl)-2H-chromene-6,8-diol"	HMDB0134722	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			38.2	4.67	M+Na	C16H20O3	0.031120278	1474.346778	1168.9618	1337.198973	1339.354779	1882.302856	1558.571461	1538.050789	982.6211908	2127.802124	1022.876735	1237.620836	2148.223095	1564.046311	1548.034765	1425.304609	1180.028919	1393.570247	1326.314911	1736.351459
0.00_205.1584m/z	205.1584048	0.003583333	pos	2-Benzylidene-1-heptanol	HMDB0036170	Phenylpropanoids and polyketides	Cinnamyl alcohols	Unclassified			38.1	0	M+H	C14H20O	-1.405073557	4014.350976	4316.204561	4245.210752	4419.163034	4262.235364	4469.215799	4472.386171	4952.11567	4257.966867	4597.149873	4425.343411	3816.605177	3749.769246	4310.919039	4949.798709	4275.930323	4335.632859	5307.204744	3877.47779
0.44_127.0387m/z	127.038722	0.439416667	pos	Dimethyl fumarate	87531	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.1	0	M+H-H2O	C6H8O4	-1.724993982	3214.336371	2786.553691	2783.219263	2766.243789	2690.744478	2822.411832	2966.465277	2861.754287	2775.267035	2474.882443	2780.326743	3123.941701	3066.786607	2596.907842	3000.199319	2854.480216	2711.785095	2874.16173	2671.217204
0.44_259.1901m/z	259.190073	0.439416667	pos	2-methyl-tridecanedioic acid	LMFA01170015	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.1	0	M+H	C14H26O4	-1.211351353	25341.77419	22026.39039	22705.75437	23233.63604	22628.02627	23692.6821	24290.74617	24112.1112	23425.46214	24570.62561	24793.1261	21786.72649	22367.53082	22944.37908	22594.43358	25680.33911	22386.46619	24810.11666	21885.60933
0.46_169.0850n	168.0778651	0.457466667	neg	1-Methylhistidine	HMDB0000001	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C01152	38.1	0	"M-H2O-H, M-H"	C7H11N3O2	-0.63641576	3932.023653	3920.593524	4006.108151	3757.528834	3710.390271	3731.480924	4111.66085	3838.75656	4098.573442	4076.367884	3842.058551	4213.474308	4216.430634	4234.14181	3910.664199	3920.062059	3608.564162	4072.093905	3764.341656
0.46_206.1661n	205.1588414	0.457466667	neg	2-benzylheptan-1-ol	HMDB0133179	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.1	3.26	"M-H, M+FA-H"	C14H22O	-4.595622834	46713.14859	44461.79444	42763.85789	40989.46284	42857.61441	38829.44	41904.74979	40775.83034	40928.06475	43896.01153	42305.27383	42833.52582	41170.9566	43094.20321	42446.81107	43415.75024	41319.47994	41856.33302	38299.65012
0.48_211.1331m/z	211.1331183	0.477816667	neg	Bis(1-methylethyl) hexanedioate	HMDB0041613	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*	C14523	38.1	0	M-H2O-H	C12H22O4	-3.692364091	9117.806439	9265.688738	9111.526115	8844.719295	8957.874799	8467.199421	9342.575103	8991.833562	8884.239087	9786.413196	9117.358655	8812.29293	8972.306096	9056.931091	8873.945379	9214.037566	8517.568904	8899.86353	8733.21974
0.51_211.2054m/z	211.2053888	0.5146	pos	"2,6,10-Trimethylundecanoic acid"	HMDB0002221	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.1	0	M+H-H2O	C14H28O2	-1.109021776	23987.06651	22915.45058	23769.98871	24324.53203	22142.49634	24151.19622	23009.13855	24291.69296	22822.17742	23456.53775	23252.20731	23817.13129	22901.16896	23303.92522	23967.20407	25261.20327	22589.20873	26281.77727	22796.16499
0.61_113.0237m/z	113.0236748	0.60835	pos	Mesaconic acid	HMDB0000749	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C01732	38.1	0	M+H-H2O	C5H6O4	2.725629965	585.5186534	503.2859633	525.4595757	475.8136504	543.8990925	766.817881	513.430743	403.6778979	512.7715288	700.5654847	448.0579919	218.2319019	604.2492464	618.8611023	238.2189698	670.984134	479.2899265	330.4040764	423.327678
0.62_202.1188m/z	202.1188412	0.623133333	neg	Lysyl-Glycine	85853	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.1	0	M-H	C8H17N3O3	-4.30171295	841.7018573	1407.056108	1038.334924	1137.12585	2402.56539	1360.901282	1030.153823	1386.214857	869.6360458	1751.90234	1019.739636	1087.052012	806.2428552	1109.280457	1068.629758	707.2972977	1064.48745	739.2679039	1016.585858
0.62_225.0987m/z	225.0986796	0.623133333	neg	Guanidinoproclavaminic acid	64566	Unclassified	Unclassified	Unclassified			38.1	0	M-H2O-H	C9H16N4O4	-2.598296705	5187.289665	5740.320304	5468.908474	7122.357202	6229.699072	5159.394993	7622.388997	3255.151701	4486.500865	6840.403046	6973.470222	3919.360943	8005.037772	7805.88727	8286.870923	5251.117178	5767.040063	3833.342145	7551.505048
0.63_149.1170m/z	149.1170385	0.62635	pos	"(2R,3R)-heptane-1,2,3-triol"	LMFA05000549	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			38.1	0	M+H	C7H16O3	-1.231168617	53352.3656	44059.50687	36954.35742	34551.40267	34078.05373	37468.00306	34479.15483	35455.82381	31695.19856	36144.66865	53317.88444	49610.21991	43766.51128	37717.25808	38482.21656	37365.17012	39513.53808	40903.89451	33015.23264
0.64_332.0684n	371.0314833	0.643516667	pos	Fluorescein	HMDB0014831	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			38.1	3.93	"M+Na, M+K"	C20H12O5	-0.264739132	37130.62427	40716.49625	31708.2366	42300.92545	38234.21016	31480.32851	38369.65013	23247.71643	21889.86024	29604.44744	47534.26795	26674.40465	39465.2013	36006.00296	41909.1126	47023.55972	39607.63483	48591.25581	32347.11969
0.70_259.0594m/z	259.0593945	0.695266667	pos	"2,4-Diamino-6,7-dimethoxyquinazoline"	2461	Organoheterocyclic compounds	Diazanaphthalenes	Benzodiazines			38.1	0	M+K	C10H12N4O2	0.957572842	117129.4419	138545.3436	141396.6099	147567.3828	134593.1751	130163.3432	133861.0325	114418.7644	112825.1821	133313.598	124561.4773	132487.4799	110646.6669	129440.1664	98301.1693	114769.5933	132936.1252	123970.6748	137560.3171
0.70_499.0511m/z	499.0510621	0.695333333	neg	"4,4'-Sulfonyldiphenol"	69883	Unclassified	Unclassified	Unclassified			38.1	0	2M-H	C12H10O4S	-3.24174788	75562.8938	53218.03109	52321.55264	50797.53847	75146.04945	58572.04216	45985.33503	160662.4217	113232.2843	59385.94262	50486.33011	68299.69052	46527.95907	42104.5544	31271.32291	39737.75387	32017.64794	47531.99032	50493.25516
0.71_178.0708m/z	178.070751	0.712233333	pos	Oxoadipic acid	LMFA01170121	Organic acids and derivatives	Keto acids and derivatives	Medium-chain keto acids and derivatives	**	C00322	38.1	0	M+NH4	C6H8O5	-1.549086501	899.0670758	1589.553543	1253.198979	2808.6289	1641.059044	6273.185721	259.5192144	315.9185776	609.7965994	6966.591277	1092.838106	889.7340293	785.6090108	626.2175914	692.0850188	290.564033	399.603339	0.000297236	383.7527003
0.73_139.0388m/z	139.0387834	0.729216667	pos	3-Methylmuconolactone	66207	Unclassified	Unclassified	Unclassified			38.1	0	M+H-H2O	C7H8O4	-1.199244032	4882.805354	4600.83519	2827.490808	3065.526406	1942.607767	2441.387921	2760.166376	3510.108776	4262.705037	2370.878772	5010.992706	5072.128465	2938.170367	4253.331577	4034.07859	3893.625259	2843.69447	2698.247097	2625.109576
0.73_187.0368m/z	187.0367676	0.7299	neg	Pydanon	72870	Unclassified	Unclassified	Unclassified			38.1	0	M-H	C6H8N2O5	3.843288306	27876.25443	27760.70545	31404.29254	39603.91851	33391.78881	41145.89117	31792.35263	12507.75828	12945.60854	40209.03682	33736.20562	13413.54879	36034.30593	31956.59913	29516.80667	26786.51359	25409.84808	24253.3884	32177.68746
0.73_261.0725m/z	261.0725176	0.7299	neg	Ng-L-Glutamyl-L-aspartic acid	86960	Unclassified	Unclassified	Unclassified			38.1	0	M-H	C9H14N2O7	-1.170603055	36717.71543	37855.79561	36019.9901	27693.66783	52302.26199	34325.70511	45618.50964	33177.69374	31383.73771	51253.05211	40185.55633	33558.99016	38247.69181	41850.17897	36512.32814	39775.4102	42928.95809	35184.91012	47431.14758
0.75_201.0163m/z	201.0162997	0.746966667	neg	D-Erythritol 4-phosphate	65986	Unclassified	Unclassified	Unclassified			38.1	0	M-H	C4H11O7P	-3.282719882	964.5073621	1444.561229	1226.162469	1458.03369	796.3008423	666.1782563	977.8290346	0.000297236	549.4221495	1237.540455	1028.852007	1257.587384	451.4999948	1265.603167	881.2912591	1082.618136	1776.837624	579.0711317	995.2347597
0.78_246.1446m/z	246.1446143	0.781033333	pos	(S)-ATPA	69667	Unclassified	Unclassified	Unclassified			38.1	0	M+NH4	C10H16N2O4	-0.956522234	11709.7759	11580.29267	12171.1689	7089.447764	21953.86547	16772.35568	18107.68837	4209.553633	2345.467978	21570.26156	8692.829289	3146.405108	15632.321	15708.60399	15633.54456	16244.43212	13949.22745	6238.574848	15589.85609
0.82_241.1542m/z	241.1542426	0.816033333	pos	Rimiterol	2335	Unclassified	Unclassified	Unclassified			38.1	0	M+NH4	C12H17NO3	-1.910951547	12864.89553	12906.79749	12775.98438	13118.55012	15657.1716	11277.83325	9761.769153	26805.27321	16483.20982	10759.12573	12399.31932	20540.39895	10779.09429	9829.473608	10338.30197	10842.24657	11706.97407	10474.97616	10983.2892
0.85_148.0426m/z	148.0426315	0.850933333	pos	Methionine sulfoxide	HMDB0002005	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C02989	38.1	0	M+H-H2O	C5H11NO3S	-0.269361601	30940.32959	36475.42658	32754.57873	24313.33053	24116.20768	29188.88184	24065.96023	33176.5415	35924.23838	27806.84485	26669.25179	42116.15886	38317.66599	40100.75019	29155.98389	32441.87921	34942.43432	29086.96122	33488.03769
0.94_287.0384m/z	287.0384146	0.937716667	neg	"(3-oxo-1,3-diphenylpropoxy)sulfonic acid"	HMDB0135218	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones			38.1	0	M-H2O-H	C15H14O5S	0.199986303	5181.731753	2865.421462	4081.403278	3963.717249	6207.226785	2494.160677	9792.396063	1801.571806	4715.781091	6574.45678	8356.087623	2153.257265	9125.317064	10384.99283	6805.212511	5638.989082	6643.81485	2858.373929	5445.263687
0.96_255.2328m/z	255.2327963	0.958133333	neg	Octanal	HMDB0001140	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*	C01545	38.1	0	2M-H	C8H16O	-0.614698119	753.7329023	682.8007357	998.3438237	795.6488402	1060.311159	833.6352873	870.0954249	585.5152152	721.7133106	740.4200206	560.245261	1059.418159	892.3661628	1053.817739	1151.222197	1124.328813	1152.003015	785.649058	1184.929722
0.97_120.0446m/z	120.0445637	0.968583333	pos	p-Aminobenzoic acid	3261	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	**	C00568	38.1	0	M+H-H2O	C7H7NO2	1.265752484	286.7452825	208.7881258	207.3187197	231.1744417	167.9185039	53.8501991	99.63118932	227.2828703	208.294803	145.4864726	102.0692669	290.7830712	278.7027174	167.3974874	68.47359522	368.7269018	186.4206365	171.5833985	193.4407553
1.01_151.0753m/z	151.0752537	1.006716667	pos	"m-Toluic acid, methyl ester"	265045	Unclassified	Unclassified	Unclassified			38.1	0	M+H	C9H10O2	-0.681304708	7467.543916	8278.741309	6979.893794	8034.577346	7425.450862	8164.282109	7122.037695	7608.73534	7920.031875	7857.309524	8243.332119	7661.921082	7091.950068	6870.869283	7677.499798	6942.100647	7520.888076	7285.571239	6518.960281
1.03_159.0653m/z	159.0653255	1.026666667	pos	"(±)-Glycerol 1,2-diacetate"	HMDB0031712	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	*		38.1	0	M+H-H2O	C7H12O5	0.79683979	4546.685133	4212.558095	4628.88012	4615.740172	4453.213954	4618.208859	4883.423105	4820.811158	4776.977555	5359.252472	4779.279149	3660.973294	4568.309158	3984.771719	4239.600413	4081.243596	4086.188891	4366.304362	3894.290513
1.03_169.0495m/z	169.04951	1.026666667	pos	Homogentisic acid	HMDB0000130	Benzenoids	Benzene and substituted derivatives	Phenylacetic acids	**	C00544	38.1	0	M+H	C8H8O4	-0.149508999	349.172595	469.6874846	359.4324299	523.2394687	588.2546085	448.0081929	273.5958833	211.6858105	552.4250665	430.88875	314.7099257	91.47244725	363.9548231	551.3855715	533.8127782	437.6323869	313.781346	188.2373861	341.1602566
1.06_182.1032m/z	182.103236	1.062216667	pos	6-Methyltetrahydropterin	HMDB0002249	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives			38.1	0	M+H	C7H11N5O	-2.211362136	7902.047387	12738.89457	14009.78349	10275.96011	9851.334786	5380.076353	6846.108232	12427.04216	9947.502949	13712.12552	18227.74274	11136.52735	11582.69587	11513.02568	10484.5361	9935.850447	6687.062981	10195.10086	5529.826702
1.08_148.0472m/z	148.0471539	1.079266667	pos	N-Methyl-N'-nitro-N-nitrosoguanidine	70187	Unclassified	Unclassified	Unclassified			38.1	0	M+H	C2H5N5O3	4.342105418	5183.160363	7213.595465	4982.030601	7026.472439	7309.615732	6802.198042	6357.255004	5955.365334	5757.163627	6542.111133	4970.110667	5999.137756	6014.004422	7989.720031	9164.845966	7481.919359	6031.269654	6294.93352	8999.386495
1.14_350.9034m/z	350.9034013	1.13945	neg	Fosfomycin calcium	69748	Unclassified	Unclassified	Unclassified			38.1	0	2M-H	C3H5CaO4P	1.151645871	7319.098634	7041.721109	7501.154039	7603.152236	5967.482087	8307.077127	7336.699967	7648.934744	8237.35341	6617.37468	7913.614616	7146.431744	6191.263393	6343.325283	6469.058024	7452.379202	7088.276487	7723.482643	6100.533418
1.16_348.0855m/z	348.0855468	1.1608	neg	5-Methyl-6-hydroxyluteolinidin	LMPK12010443	Lipids and lipid-like molecules	Polyketides	Flavonoids			38.1	0	M+FA-H	C16H15O6+	1.586002803	1956.508712	1888.525416	2198.621449	2025.913948	2029.706993	1830.160476	1378.39437	1498.837508	1296.621879	1894.294934	1900.383923	1742.026425	2516.12743	1739.670981	2143.259965	1955.950774	2029.378066	1809.198399	2633.795513
1.18_199.0771m/z	199.0771451	1.1797	neg	Biphenyl	66444	Benzenoids	Benzene and substituted derivatives	Biphenyls and derivatives	**	C06588	38.1	0	M+FA-H	C12H10	4.490423983	10905.02722	10383.95876	11254.04614	10570.13032	11336.84061	9993.597167	10484.31535	9356.201468	8362.649401	10923.34324	11543.98229	9601.091029	11219.26993	11094.12454	10471.61552	10311.12956	11074.49623	12726.3164	12772.74696
1.18_310.0884m/z	310.0883968	1.1797	neg	Streptozocin	HMDB0014572	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C07313	38.1	0	M+FA-H	C8H15N3O7	-3.039971574	2060.001567	1760.786435	2266.125541	2063.900707	1909.825287	2062.217857	2183.949403	1968.821852	1576.818344	2326.659674	1983.941429	1758.106467	2234.466171	1812.519699	2123.370733	1598.66504	2251.187734	1815.082766	2630.038445
1.18_489.1982m/z	489.1982361	1.1797	neg	Cynaroside A	HMDB0040532	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		38.1	0	M+FA-H	C21H32O10	1.094208027	6276.20029	6395.090795	6624.719153	6642.437418	7721.362354	6931.448716	7736.936768	5600.315566	5190.091009	7773.312884	7090.665804	5616.763826	7847.678648	8208.203114	6962.236668	8186.420858	7493.524736	8098.537642	9402.569556
1.22_138.0912m/z	138.0912323	1.219283333	pos	2-Methylbenzaldehyde	HMDB0029636	Benzenoids	Benzene and substituted derivatives	Benzoyl derivatives	**	C07214	38.1	0	M+NH4	C8H8O	-0.900323972	263.7587563	302.1920867	177.6620255	202.7264267	445.0785347	92.42303524	262.5890933	76.11637118	100.3122039	369.7983953	109.5036528	247.8941138	262.9571225	362.7036443	255.2831707	521.3690122	139.4599308	232.6532178	298.8294138
1.22_156.0653m/z	156.0653423	1.219283333	pos	alpha-Furyl methyl diketone	88825	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.1	0	M+NH4	C7H6O3	-1.284556847	447.9405215	594.9480604	517.6402837	349.823768	968.2148338	519.3442722	284.1720896	190.2403865	157.7808145	939.1888743	249.6387354	174.3443434	72.74752447	284.4919161	277.3286256	398.0582894	2725.134374	470.172085	364.2697532
1.26_318.0607m/z	318.0607302	1.259833333	neg	Adefovir	68958	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives			38.1	0	M+FA-H	C8H12N5O4P	-0.597563742	5341.06004	6004.601585	6764.179971	9678.481505	6831.739036	6119.548371	8975.180028	7728.555408	9781.65628	4733.397072	9138.109401	4730.994238	6048.245546	6331.044855	4267.440962	4402.414594	4021.008627	5400.406502	2963.377513
1.30_351.1148m/z	351.1147795	1.297066667	neg	11-dimethylarsinoyl-undecanoic acid	LMFA00000037	Lipids and lipid-like molecules	Fatty Acyls	Other Fatty Acyls			38.1	0	M+FA-H	C13H27AsO3	-3.395912715	3021.342435	2232.687244	1672.338241	1761.777579	2197.362652	1398.392236	2599.543716	4161.097669	2245.092404	1492.50033	2977.951238	3403.31703	1859.567238	1850.882097	1516.593038	2310.473352	1413.407164	1862.613365	3031.24512
1.36_108.0447m/z	108.0446675	1.355533333	pos	N-Furfurylformamide	65850	Unclassified	Unclassified	Unclassified			38.1	0	M+H-H2O	C6H7NO2	2.217117864	1540.750323	1613.830637	1462.323112	1418.409881	1255.964089	1436.256776	1304.388918	1312.604772	1526.646728	1543.013276	1426.225563	1752.53827	1493.932565	1612.415951	1720.352497	1561.413553	1428.441919	1537.46535	1306.911969
1.38_112.0396m/z	112.0396422	1.375966667	pos	"3,4-Dihydroxypyridine"	65866	Unclassified	Unclassified	Unclassified			38.1	0	M+H	C5H5NO2	3.038128329	879.9288324	716.9118362	879.3097108	920.638784	979.0573709	891.8174534	926.1981646	982.3147683	941.9924978	889.7027828	1032.993885	799.8273064	807.797274	856.7594133	895.892419	908.6661686	878.6143527	924.1514869	922.0804775
1.42_146.0400n	164.0738062	1.417983333	pos	THTA	68815	Unclassified	Unclassified	Unclassified			38.1	0	"M+H, M+NH4"	C6H10O2S	-1.265675037	3974.419927	4873.34672	4104.278737	3978.996594	4500.609489	2082.404616	3631.509372	8335.75383	6545.54081	2432.357669	2996.860206	5344.358053	4666.561451	5018.532615	5022.420312	3177.194111	4106.131949	3376.736084	4889.31418
1.48_374.1202m/z	374.1202069	1.48375	neg	Pentetic acid	43302	Unclassified	Unclassified	Unclassified			38.1	0	M-H2O-H	C14H23N3O10	-0.752614432	293.2299851	264.3759334	323.9771301	0.000297236	157.9184609	206.8751051	144.3745914	1804.525835	1063.005905	154.0359026	0.000297236	1013.331544	142.894766	81.48141815	53.59536226	89.1517052	88.11893608	61.39968575	88.77349826
1.48_393.0952m/z	393.0951964	1.48375	neg	N-(4-hydroxyphenyl)ethoxycarbothioamide	89055	Benzenoids	Phenols	1-hydroxy-2-unsubstituted benzenoids			38.1	0	2M-H	C9H11NO2S	0.94803875	1602.788781	1673.745737	1650.35745	1936.63092	2017.76812	2602.04218	1634.109241	2818.370151	2034.252716	1889.711185	1527.997044	2053.225276	1908.740479	1615.989813	885.8212469	1366.095484	1156.190028	1531.867233	1624.829122
1.86_172.0968m/z	172.0967808	1.8645	pos	"3,4-Dihydroxyphenyl ethanol"	58314	Unclassified	Unclassified	Unclassified			38.1	0	M+NH4	C8H10O3	-0.252732264	3485.561722	3004.160128	2556.237216	3148.270371	2799.113896	3143.392851	3493.094929	3701.868972	3665.42694	3445.280976	3507.346857	2700.46746	2937.562308	2464.782862	2773.191671	2768.949559	2681.535035	2769.798134	2461.605805
10.25_503.2867m/z	503.2866588	10.25406667	neg	Talbutal	HMDB0014451	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives			38.1	0	2M-H	C13H20N2O3	-1.68510389	7465.349777	6421.303101	6427.911821	8017.01972	8694.272868	7509.001422	8694.884025	4388.494689	5219.675045	6185.546963	6921.677355	5329.415065	8677.94246	7383.777989	8414.45423	8601.545217	7794.988255	7812.479415	8733.629187
10.36_465.3042m/z	465.304194	10.36035	neg	Cholesterol sulfate	HMDB0000653	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cholestane steroids	**	C18043	38.1	2.37	M-H	C27H46O4S	-0.451412956	159792.1421	134427.6258	138287.3023	128367.4248	149570.0803	151616.3975	161478.895	179309.3325	132416.5674	137205.8889	161716.5541	152327.892	158949.0239	163893.4822	178108.6507	174780.3939	170264.531	158546.8762	157772.9683
10.49_413.0047m/z	413.0046938	10.48828333	neg	4-Methoxy potassium salicylate	72166	Unclassified	Unclassified	Unclassified			38.1	0	2M-H	C8H8KO4	0.095072594	2928.664533	4274.326892	3619.479513	3515.431359	3638.827075	3574.505397	3998.549539	3658.819017	3396.797866	3458.84478	4073.938034	3120.308433	3366.792327	4183.325152	3584.341672	3450.069874	3949.482581	3644.452554	3362.665307
10.57_554.2872m/z	554.2871621	10.56793333	pos	Vignatic acid A	HMDB0033599	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38.1	5.2	M+H	C30H39N3O7	1.961110494	8976.775156	7169.970282	7301.949516	7806.277326	8076.301012	7887.052612	9421.748708	3129.328748	2804.439835	7615.702976	7868.51609	3827.643216	7770.757437	6863.517752	8253.37865	7596.198551	9364.162002	5677.1915	7957.752293
10.59_428.2925n	473.2915608	10.59338333	neg	Hydroxyprogesterone caproate	66835	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids	**	C00410	38.1	0	"M-H, M+FA-H"	C27H40O4	-0.457319876	1828.292384	1380.107073	1761.481431	2223.644626	2888.935717	2028.583707	1171.653009	2328.01729	494.2569458	2502.974542	1382.500088	388.7133041	1757.786287	1993.735169	2161.898979	2531.573442	2562.832811	3673.18299	1759.678006
10.69_297.1458m/z	297.1458406	10.69353333	pos	Panaquinquecol 4	HMDB0038939	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38.1	5.33	M+Na	C17H22O3	-1.00194203	61880.6571	54183.84139	62918.99906	68278.5112	61976.86784	67633.91002	65072.19299	48840.6721	57154.55761	59260.45921	62885.88219	56391.80667	67562.33327	66244.60582	65888.25825	68273.94544	70725.93611	67032.18226	64251.93237
10.74_823.2513m/z	823.2512575	10.74271667	neg	O-Deethylated candesartan	HMDB0013842	Benzenoids	Benzene and substituted derivatives	Biphenyls and derivatives			38.1	0	2M-H	C22H16N6O3	2.131729048	2479.23359	2956.690178	2080.713226	4588.291726	4830.745272	2444.079572	3976.935193	1705.367846	2981.392844	3429.056668	5702.752706	2975.87119	4909.248759	7208.015042	4375.391431	3589.174721	3158.396871	3539.767955	4150.135805
10.82_168.9802m/z	168.9801659	10.81821667	pos	3-Sulfopyruvic acid	58197	Organic acids and derivatives	Keto acids and derivatives	Alpha-keto acids and derivatives	**	C05528	38.1	0	M+H	C3H4O6S	0.182559507	175.8968233	139.8951454	191.8514662	276.1857806	98.11387205	0.000297236	176.7377451	125.7829703	0.000297236	178.7060089	122.8781442	0.000297236	204.50204	240.3882135	181.6730222	126.2936215	197.4517676	176.6299526	152.7443795
11.17_366.2647m/z	366.2646678	11.16756667	neg	α-Linolenoyl Ethanolamide	36742	Organic nitrogen compounds	Organonitrogen compounds	Amines		C13828	38.1	0	M+FA-H	C20H35NO2	-0.978603494	913.2050155	950.7073739	1029.057219	988.3700859	781.3896954	681.0239022	398.29649	2217.153629	1278.143041	548.0651636	764.2230899	2373.485097	882.0295192	871.2080316	1095.34084	1301.694497	1011.413354	1652.522714	708.0118243
11.36_621.3043m/z	621.3043329	11.35938333	neg	PKOHA-PG	LMGP20060010	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			38.1	0.35	M-H	C29H51O12P	-0.32841932	23775.98238	19256.31941	21097.0305	24761.43376	25541.27451	26630.29227	30307.23006	4989.276029	8597.955689	22677.85633	25541.86348	13198.07053	56318.21235	53521.00056	27092.05035	28250.31786	21735.22323	26604.62246	52724.5972
11.38_490.2962m/z	490.296243	11.38033333	neg	PC(14:0/2:0)	LMGP01010504	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			38.1	0.535	M-H2O-H	C24H48NO8P	4.574854216	4251.841028	2954.538691	3635.898365	7674.781934	2479.297436	5451.183289	3795.301232	5538.984018	3619.980381	3026.542273	4660.092028	6706.065101	3884.556525	4267.849406	4221.794634	5070.960704	4332.740721	6550.855213	5117.150099
11.44_444.3102m/z	444.310226	11.43953333	pos	Aminopentol	73370	Unclassified	Unclassified	Unclassified			38.1	0	M+K	C22H47NO5	4.056586424	1998.736034	2562.11966	3120.879012	3484.207146	1410.657038	2809.699373	1469.472903	6367.73329	3531.312745	1474.487747	2275.483385	5709.735453	2303.373533	1781.590633	3552.290869	2817.036927	3663.731922	4417.935132	2224.00971
11.49_548.2968m/z	548.2968331	11.48636667	neg	PG-PE	LMGP20020031	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			38.1	0.19	M-H2O-H	C26H50NO10P	-4.511141707	220950.0639	194263.1762	215394.7427	236961.8544	227781.8363	217883.7312	225289.1397	150135.169	178080.4638	179746.3224	222514.1541	229171.6818	297626.6786	272331.6156	212983.2237	249045.6309	226304.6951	223822.8958	251636.0562
11.56_1046.7254n	1047.732719	11.56191667	pos	NeuAcalpha2-3Galbeta-Cer(d18:1/20:0)	56049	Unclassified	Unclassified	Unclassified			38.1	0	"M+H, M+Na"	C55H102N2O16	2.395536845	519425.4143	410780.3856	518927.5886	497890.849	490677.5746	499743.4428	626822.0679	319885.7685	390614.6913	340347.1443	602994.5353	382480.7207	456325.6862	513741.0285	576482.8091	591814.6751	636157.18	447974.0607	506305.9086
11.76_350.2698m/z	350.269768	11.76273333	neg	Clavepictine B	LMSP01080053	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			38.1	0.103	M+FA-H	C20H35NO	-0.981445199	854.4033268	624.127713	564.0189476	663.0347082	230.9779032	452.4319443	200.6314358	1645.785287	833.179027	426.0652625	406.0825995	1764.17949	452.5850911	502.5004244	600.3918044	705.5066806	795.3487816	925.3748042	467.1759601
11.83_362.2700m/z	362.2700024	11.82706667	neg	N-phenethyltridecanamide	65455	Unclassified	Unclassified	Unclassified			38.1	0	M+FA-H	C21H35NO	-0.205586085	566.2338627	456.504943	499.0274054	553.5541962	593.1136103	496.8939927	564.8852146	478.9305305	570.3780643	525.0642266	439.3798916	1008.544968	819.2282202	795.5260914	699.7610498	944.5892047	787.9107653	840.59074	825.2732077
11.85_293.2467m/z	293.2466703	11.85016667	pos	"Androstan-3α,17β-diol"	63341	Organic nitrogen compounds	Organonitrogen compounds	Nitrogen mustard compounds	**	C07645	38.1	0	M+H	C19H32O2	-2.862114471	2069.02091	2185.624733	2838.398759	4587.751833	1296.46274	6343.615874	2142.386509	2172.888383	750.8965385	1293.183041	1557.791893	1794.179104	3266.112936	2537.304652	4953.754583	4241.103831	4784.982773	5720.76484	5514.077928
11.89_102.1280m/z	102.1279728	11.89153333	pos	Nervonyl carnitine	58435	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts			38.1	0	M+H	C6H15N	2.441215608	1101.163601	1011.053609	1054.826708	981.530655	1120.032755	965.2443633	979.9923982	940.9988031	1054.983951	1084.121858	1000.366326	762.6950903	931.5060185	1074.925692	988.1965012	1092.98224	913.6768094	1065.415394	949.0805797
11.95_566.3462m/z	566.3462026	11.95288333	neg	PC(O-16:1(9Z)/2:0)[U]	40010	Unclassified	Unclassified	Unclassified			38.1	0	M+FA-H	C26H52NO7P	-0.268324829	7783.042213	7659.530366	8256.404894	6214.429238	7099.066005	8333.940519	10057.16464	1634.389878	1713.437076	8710.125681	7818.308315	4571.355678	9340.096786	10194.79965	10179.86788	10761.80317	11401.69161	7118.940231	7695.314117
12.35_514.1660m/z	514.1659507	12.35293333	neg	SRT 1720	64711	Unclassified	Unclassified	Unclassified			38.1	0	M+FA-H	C25H23N7OS	-1.559365669	8229.518605	6057.641292	8306.002062	11073.17164	8366.359256	9086.923632	9176.032872	7940.866617	7409.806415	6515.249007	9065.751114	9276.949743	11032.22572	9523.719055	9627.694468	9523.657648	10632.54439	10964.55576	8958.198622
12.52_255.2312m/z	255.2311822	12.5221	pos	(Z)-13-Hexadecenoic acid	HMDB0035877	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.1	0	M+H	C16H30O2	-2.652781744	4396.130391	2905.809315	4126.213959	4685.915496	5119.820993	5008.307462	4104.869344	4836.105529	5078.23333	4805.49412	4820.076226	4210.150395	4408.553004	4353.777386	4183.726612	4238.246855	4102.857223	4304.634706	3674.488196
12.68_401.2823m/z	401.282329	12.68373333	pos	Triton X 100	93088	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.1	0	M+K	C24H42O2	1.905347443	11821.32206	10199.74704	13747.04204	14038.31585	9378.977456	8549.424653	13480.63592	22031.47377	29231.68669	6113.147792	12963.11792	23562.96158	14609.92369	11621.08098	12805.65467	10389.232	11053.48777	10081.03185	13317.30734
12.97_100.1123m/z	100.1123093	12.96666667	pos	3-Methylcyclopentene	HMDB0031544	Hydrocarbons	Unsaturated hydrocarbons	Olefins			38.1	0	M+NH4	C6H10	2.844154515	882.0883217	601.4639054	641.6819704	689.9906542	673.9807614	785.2130504	622.1883787	867.5382819	675.7758303	832.6552814	874.1179926	698.8758648	666.355027	394.0661258	700.3686112	571.138968	829.1790576	603.2678775	677.8940338
14.81_360.9923m/z	360.9923205	14.81098333	neg	Bismuth subsalicylate	66756	Benzenoids	Unclassified	Unclassified		C07870	38.1	0	M-H	C7H5BiO4	1.145259658	6999.815834	4886.682569	5224.470475	7274.30897	5993.67853	7640.795843	8035.368858	5147.881099	7856.457379	6444.703329	6441.158862	5820.52962	5959.07328	5858.662021	7856.921013	7971.834526	5806.222075	7802.841659	6203.624904
15.64_169.1583m/z	169.1582845	15.64291667	pos	Undecanoic acid	HMDB0000947	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C17715	38.1	0	M+H-H2O	C11H22O2	-2.187154831	3169.951966	3452.642993	3238.418176	3249.006321	3578.076494	3170.017944	3470.627741	3257.0676	3122.179272	3118.938133	3668.291088	3262.153231	3484.977206	3084.272396	3026.612954	3399.693075	2886.72436	3120.900928	2965.394528
15.74_128.0814m/z	128.08139	15.73598333	pos	4-Guanidinobutanoic acid	HMDB0003464	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C01035	38.1	0	M+H-H2O	C5H11N3O2	-3.090461147	2690.513051	2419.779183	2492.956161	3134.594093	2079.516021	1879.773246	2218.038597	2218.93368	5508.14736	2557.81941	2355.106064	2140.689725	2670.397258	2487.624182	2768.999601	2888.46241	2216.694716	2314.172315	1979.835744
15.76_167.1427m/z	167.1426576	15.75651667	pos	Ethyl 3-cyclohexylpropionate	HMDB0031406	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.1	0	M+H-H2O	C11H20O2	-2.08537449	12970.62199	13368.67418	11480.64394	13608.93883	13398.44709	12715.66265	13175.74923	13545.39651	12329.21921	12465.02603	13444.00191	14257.05235	13102.70612	13000.37706	13161.19059	13814.35439	12925.19297	12853.81414	12518.70816
15.78_139.0388m/z	139.0387751	15.77676667	pos	"3-Methyl-cis,cis-hexadienedioate"	66117	Unclassified	Unclassified	Unclassified			38.1	0	M+H-H2O	C7H8O4	-1.25221933	17970.41602	16234.17936	16416.96881	16896.57153	16738.40157	16894.03387	17570.37025	17435.90118	16709.85047	16610.57468	18974.90173	17197.83446	17905.57775	16805.86372	16850.89747	18141.55909	16095.05277	16654.37137	15992.9715
15.78_181.1584m/z	181.1583721	15.77676667	pos	Methyl 10-undecenoate	HMDB0029585	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.1	0	M+H-H2O	C12H22O2	-1.61275719	18051.37486	17143.22887	16991.014	17171.04119	18628.96871	17720.90874	17658.18084	18261.46685	19322.00023	17389.4042	17932.19981	17983.23019	16808.49693	16552.15077	17773.89937	17790.3519	16579.66553	17791.28582	16707.14408
15.82_109.0650m/z	109.0649829	15.81501667	pos	o-Cresol	58085	Benzenoids	Phenols	Cresols	**	C01542	38.1	0	M+H	C7H8O	1.772722137	15677.80533	14093.19313	13750.47698	14513.53122	15068.72521	14230.89695	15678.55443	15516.7047	15379.63617	15360.3646	17792.5486	14246.82882	14073.8665	12498.6039	14084.48333	14713.99013	13375.64654	14075.9403	13787.16907
2.12_355.0758m/z	355.075771	2.119316667	neg	Cysteinyl-Glycine	85689	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C01419	38.1	0	2M-H	C5H10N2O3S	1.744076318	2063.656928	1734.903607	1387.111354	2113.393409	1104.114854	880.8537225	1756.521114	2110.94172	4083.188519	1149.383025	2575.8487	3695.444018	1986.467063	2319.377636	1913.22717	1192.839433	1102.769646	1564.232025	2692.209434
2.22_138.0913m/z	138.0912617	2.21525	pos	Phenylacetaldehyde	HMDB0006236	Benzenoids	Benzene and substituted derivatives	Phenylacetaldehydes	**	C00601	38.1	0	M+NH4	C8H8O	-0.655830358	230.6613267	288.6084433	230.0785667	219.1388122	322.3378101	293.8010629	207.5305355	286.5139117	285.3397663	301.9613657	178.9923558	254.9334699	230.32452	183.6878658	298.3851896	82.48902191	195.0816049	312.9762811	279.1137121
2.24_155.0702m/z	155.0702337	2.235266667	pos	trans-3-Octenedioic acid	HMDB0013312	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.1	0	M+H-H2O	C8H12O4	-0.214392586	11554.16096	10090.5586	10210.01985	10924.28956	10100.0202	10598.28572	10245.2753	11023.20609	9786.864312	10880.1057	11268.67492	10866.87962	10145.55814	10554.19373	10687.47443	12335.76487	10454.91789	10754.05242	9789.571665
2.51_180.0628m/z	180.0627958	2.509066667	pos	para-Trifluoromethylphenol	85334	Benzenoids	Benzene and substituted derivatives	Trifluoromethylbenzenes			38.1	0	M+NH4	C7H5F3O	-1.723171392	426.7885362	463.683761	516.998401	512.2645445	386.0625428	316.2183158	459.5841837	392.1251629	64.30654059	258.1032542	373.3434958	190.9791982	480.8314069	658.6960041	514.3834284	567.0074971	641.9910678	509.089001	716.7876902
2.65_396.1266m/z	396.1266361	2.648233333	neg	Tazarotene	69452	Lipids and lipid-like molecules	Prenol lipids	Retinoids		C12531	38.1	0	M+FA-H	C21H21NO2S	-2.46816605	2769.88824	3027.985812	2778.731243	4342.079226	2364.59394	4813.576878	2393.461742	3527.067107	3471.024142	3713.90457	3250.674287	1742.698741	2869.445506	1850.765471	2707.499671	2822.742542	2709.771393	4222.783483	3278.219325
2.75_585.1421m/z	585.1421338	2.754933333	neg	Panfuran S	73006	Unclassified	Unclassified	Unclassified			38.1	0	2M-H	C11H11N5O5	-4.48136505	1603.810295	1427.19249	1276.265228	2360.069984	1019.925446	1142.159336	1756.532533	829.3245087	1056.480668	1318.49051	1680.074252	1611.061469	1727.495672	1836.647687	1065.975843	1678.596727	1297.700829	1287.289616	1490.01388
2.90_225.0609m/z	225.0609005	2.903716667	neg	D-Galactose	HMDB0000143	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	***	C00984	38.1	0	M+FA-H	C6H12O6	-3.834720468	1779.689563	2130.564983	2070.945425	1899.02981	2197.722805	2092.902631	2388.832298	2482.74387	2253.811578	2316.423946	1564.846054	1476.893292	1652.812073	1748.64673	1742.083158	1833.66095	2027.226506	1930.040322	1862.95748
3.48_214.1077m/z	214.1076676	3.476266667	neg	ACECLIDINE	44245	Unclassified	Unclassified	Unclassified			38.1	0	M+FA-H	C9H15NO2	-4.813661236	1208.534309	1282.704301	1310.143225	1653.947886	920.6582187	1295.482901	2111.829965	337.9968141	952.6578647	1434.119324	1342.160338	918.9935771	1317.450199	1217.974038	1530.728051	1091.694972	1607.113385	1212.56364	1665.910331
3.53_263.0381m/z	263.0380612	3.534466667	neg	"cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene"	66503	Unclassified	Unclassified	Unclassified			38.1	0	M+FA-H	C12H10O2S	-1.340346165	6982.12324	6524.154755	7051.200203	7771.543937	6995.577271	7402.87517	7810.83174	5785.027103	5440.339254	7571.164522	7275.869882	6684.011299	7237.134636	7166.578638	7431.036084	7199.841849	7263.361599	7913.373726	8353.892253
3.60_472.1581m/z	472.1580885	3.597883333	neg	N10-Formyltetrahydrofolic acid	715	Organoheterocyclic compounds	Dithiolanes	Lipoamides	**	C00234	38.1	0	M-H	C20H23N7O7	-1.122591024	436.8579588	611.3595235	438.3054276	328.0395757	371.7317383	1465.124049	507.6013215	0.000297236	0.000297236	1952.732405	796.9071524	194.697646	224.8226908	168.0994567	290.3307347	190.3416442	234.3691413	360.3164235	382.557007
3.66_138.0220m/z	138.0220243	3.65905	pos	3-Mercaptopyruvic acid	HMDB0001368	Organic acids and derivatives	Keto acids and derivatives	Alpha-keto acids and derivatives	**	C00957	38.1	0	M+NH4	C3H4O3S	0.698632908	682.5737077	806.4430542	904.9168536	1022.045941	903.1103476	776.2840278	788.9595503	778.1911956	704.5270367	664.4785317	868.2180001	868.0806009	593.04056	885.0961876	832.2057606	1121.16269	1024.845722	674.9106052	589.4361203
3.76_366.0892m/z	366.0892375	3.764833333	neg	"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin"	62809	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives		C05252	38.1	0	M+FA-H	C9H15N5O8	-3.201098468	935.3804479	908.9860513	845.8134785	715.6361888	984.3830092	1039.393074	838.9050667	885.2779863	974.2089071	1067.495292	878.8230864	1114.528978	870.1281607	936.5085607	1008.663646	917.4291549	976.730603	1014.283555	920.9965253
3.81_364.0973m/z	364.097339	3.807833333	neg	Ro 19-4603	69655	Unclassified	Unclassified	Unclassified			38.1	0	M+FA-H	C15H17N3O3S	0.231020513	619.3189025	564.7040535	700.43194	259.1213513	501.963225	826.7598745	210.9776105	2354.530745	1725.150519	688.8838666	237.8869947	909.0793304	280.847523	238.6895746	347.0865303	340.6387301	333.8271793	453.6368791	152.961976
4.04_438.8695m/z	438.8694867	4.038033333	neg	2-Iodophenol	65668	Unclassified	Unclassified	Unclassified			38.1	0	2M-H	C6H5IO	-0.596516427	1625.547832	1569.28879	1521.147768	241.4806147	312.7072897	505.1282903	376.4806775	12519.91916	18080.10222	537.6410029	498.9459463	4848.684356	552.4742437	564.8037613	537.001409	483.8170193	766.3729176	655.935283	539.2244858
4.12_567.2925m/z	567.292458	4.11915	pos	"24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25,28-nonol"	84029	Lipids and lipid-like molecules	Sterol Lipids	Sterols			38.1	0	M+K	C28H48O9	-1.009262181	1299.080425	1929.014228	2186.232967	987.8989323	3252.451254	2120.189628	2481.154575	1656.258872	548.5859998	4435.266885	2214.632482	606.4017339	1172.382341	3038.775898	2767.350747	1735.071604	1576.105799	2404.733302	1833.163479
4.16_909.9351m/z	909.935131	4.161483333	neg	2-tetracosyl-3-hydroxy-nonatriaconta-18Z-enoic acid	LMFA01160043	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			38.1	21	M-H2O-H	C63H124O3	-2.234468022	3403.522511	2598.600459	3309.533968	2312.179573	3678.785352	2922.071509	3290.44272	2155.584672	1994.192178	2373.995292	1503.278015	2448.031911	7507.976308	5918.476385	3142.450077	2058.072394	2954.958143	3079.756874	4928.566238
4.24_276.1263m/z	276.1263007	4.243883333	pos	Cybutryne	68695	Unclassified	Unclassified	Unclassified			38.1	0	M+Na	C11H19N5S	3.805788981	6004.815256	5159.406817	5240.805918	3849.993864	5074.006784	3868.212053	3369.427177	18745.72915	9201.612621	2581.575977	3502.035828	5731.484936	3816.739444	5511.188327	4985.862516	3492.339142	5203.284329	6717.412872	3940.472899
4.35_222.0257m/z	222.0257203	4.351383333	neg	DL-Sulforaphane	58318	Unclassified	Unclassified	Unclassified			38.1	0	M+FA-H	C6H11NOS2	-3.88950879	3863.949653	4249.069606	3963.963137	6354.419853	4696.583988	2827.261594	9427.780503	939.5972063	2008.409608	5412.311888	7693.613925	3067.97034	5699.822631	3211.184089	3091.64348	1828.060406	2769.136754	2709.127705	4595.410711
4.52_386.0000m/z	386.0000319	4.5199	neg	Ceftizoxime sodium	66828	Organoheterocyclic compounds	Lactams	Beta lactams	**	C06890	38.1	0	M-H2O-H	C13H12N5NaO5S2	0.291933908	1702.988917	1454.906875	1450.744881	2813.67759	1620.773511	871.9694257	1532.608108	1807.452111	1890.89369	948.4541683	1639.298565	2089.030114	1116.229674	1433.760039	1526.152413	1408.386845	2126.076463	1893.439464	1151.744821
4.60_141.0545m/z	141.0544665	4.595183333	pos	2-Isopropylmaleate	3279	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C02631	38.1	0	M+H-H2O	C7H10O4	-0.974368159	1744.149136	1610.009409	1615.589387	1596.196082	1521.469057	1383.717459	1402.635992	1462.104942	2004.06247	1586.5174	1593.981468	1802.34096	1419.508198	1289.388382	1716.189137	1660.327815	1450.428804	1613.845797	1455.599511
4.81_230.0487m/z	230.0487214	4.814416667	neg	"ethyl-2,4-dimethyl-Thiazole-5-Carboxylate"	96503	Unclassified	Unclassified	Unclassified			38.1	0	M+FA-H	C8H11NO2S	-2.869821113	398.7954819	322.2566722	329.0989961	574.2345325	241.9711412	475.711475	398.5244103	192.3877749	287.3627974	452.8709897	372.9421121	204.7541545	462.0306861	335.3740824	429.5636232	595.4165394	438.1407771	523.4874252	502.7249408
5.10_163.0750m/z	163.0750219	5.10295	pos	"10-hydroxy-(2E,8E)-decadien-4-ynoic Acid"	HMDB0062773	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38.1	0	M+H-H2O	C10H12O3	-1.855334139	6624.589233	6647.951098	6312.102486	6832.693826	5861.709273	6523.698652	6602.282579	6659.608829	6605.354202	6518.178868	7063.333123	6687.081545	6222.829617	6521.52339	6727.926565	7256.491571	6515.093018	6173.98502	6182.053495
5.18_183.1014m/z	183.1013587	5.1828	pos	(+/-)-Asarinol B	71919	Unclassified	Unclassified	Unclassified			38.1	0	M+H	C10H14O3	-1.164267801	4357.308704	4230.821199	4009.750066	4090.42839	4132.722183	4464.044924	4334.349545	4340.616481	4347.016761	4085.801611	5291.390493	4462.107741	4277.77636	4211.446267	4557.597613	4684.429907	4185.452565	4457.251587	4006.938654
5.46_183.1013m/z	183.1013357	5.458316667	pos	"3,4,5-Trimethoxytoluene"	71916	Unclassified	Unclassified	Unclassified			38.1	0	M+H	C10H14O3	-1.29062059	4737.675888	4397.628111	4350.344675	4132.098888	4232.224798	4223.826594	4432.990593	4937.40459	4305.983131	4061.275818	4361.871572	4660.664554	4314.261214	4480.477321	4396.558333	4352.368534	4012.408927	4124.314083	4076.539905
5.46_337.1227m/z	337.1227182	5.464283333	neg	N-HFG	64631	Unclassified	Unclassified	Unclassified			38.1	0	2M-H	C7H8FN3O	-0.844694302	318.4125617	238.6521363	374.7746201	154.0118169	180.2668375	289.9588258	193.9306731	1021.264934	1232.143534	248.999681	184.2965102	533.5674891	94.05042854	202.8300693	139.8056762	61.91742148	167.3844721	69.9647531	181.0015591
5.48_472.2373m/z	472.2373385	5.4843	neg	20-hydroxy N-Arachidonoyl Taurine	45183	Unclassified	Unclassified	Unclassified			38.1	0	M+FA-H	C22H37NO5S	-0.2543108	4562.842491	4600.610381	4867.813479	8751.234583	2083.694575	7648.168739	2980.964086	2603.052987	680.1010002	2872.647209	4349.907966	3059.461745	3598.061912	3843.609978	5780.004307	5672.402416	7652.81579	9419.992804	7123.656513
5.99_225.1126m/z	225.1125652	5.9896	neg	"7E,10-undecadien-4-olide"	97418	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			38.1	0	M+FA-H	C11H16O2	-3.705663688	880.3069206	1051.604905	1042.835151	739.0192238	746.3599144	957.9830678	576.6276072	393.462078	590.4823643	862.4465341	993.9070039	833.6084059	650.8558396	512.8242212	650.6772715	804.532392	699.0017872	501.8985299	777.1937498
6.08_474.2514m/z	474.2514026	6.081316667	pos	DIBEKACIN	44334	Unclassified	Unclassified	Unclassified			38.1	0	M+Na	C18H37N5O8	-4.501166101	11565.19973	13511.79354	12444.82871	22580.51552	5982.461539	18786.4811	7758.304227	4985.308558	2170.142839	11202.96262	11675.38759	5429.317916	9988.001436	8075.975611	13057.22847	14471.19493	17588.48249	21941.9336	15040.89643
6.12_139.0388m/z	139.0387823	6.121566667	pos	"(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate"	63844	Unclassified	Unclassified	Unclassified			38.1	0	M+H-H2O	C7H8O4	-1.205939811	1901.649546	1746.236765	1555.532967	1546.269609	1570.6874	1597.426432	1562.315523	1862.638609	1409.472647	1802.213362	1747.861891	1721.004888	1589.236091	1721.047302	1824.27347	1843.927588	1684.497148	1852.533938	1728.894755
6.64_570.2173m/z	570.2173195	6.644783333	pos	Delavirdine mesylate	66807	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Porphyrins		C06941	38.1	0	M+NH4	C23H32N6O6S2	1.845677196	16794.69168	15468.02607	16564.60778	3893.610491	10800.95353	14290.79792	5057.637495	11063.23125	37177.30899	11996.11148	4585.291105	12759.59554	5604.683286	5387.015992	111200.9523	3243.9696	12208.001	26994.11953	5521.317446
6.97_183.1014m/z	183.1013582	6.967233333	pos	"2,4,5-Trimethoxytoluene"	71917	Unclassified	Unclassified	Unclassified			38.1	0	M+H	C10H14O3	-1.167118981	2156.652013	2294.568972	2348.889007	2163.320746	2325.738142	2109.241811	2324.586491	2124.89536	2401.172147	2550.985929	2470.805647	2317.825218	2024.238213	1507.466621	3431.752567	2178.736633	2027.498946	2220.01188	2014.696889
7.12_229.1439m/z	229.1439012	7.1247	neg	cis-3-Hexenyl pentanoate	HMDB0031691	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38.1	0	M+FA-H	C11H20O2	-3.429365662	859.1152797	825.5698709	677.3037701	765.5524374	893.0215191	1449.085554	785.7520948	647.9191825	1540.663668	1137.013679	1062.469072	1150.367358	539.1260785	695.698774	673.1017858	525.6536879	682.1083932	805.8578088	565.2352251
7.12_345.1553m/z	345.1553168	7.1247	neg	"(1S,3R,4R)-8,10-Dihydroxyfenchone 10-O-b-D-glucoside"	89090	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		38.1	0	M-H	C16H26O8	-0.504336421	1587.35653	1861.868254	1596.564367	1190.075877	1615.372991	2121.270172	1512.357683	1308.173691	1527.620695	1563.03105	1568.482691	1378.302347	1613.424275	1376.647424	1527.638782	943.3957587	1143.086824	1339.501645	1118.047713
7.35_312.1251m/z	312.1251001	7.346516667	neg	Apomorphine	HMDB0014852	Alkaloids and derivatives	Aporphines	Unclassified			38.1	0.883	M+FA-H	C17H17NO2	3.625536019	3908.006227	3048.730151	3117.910312	1636.596857	3868.112016	3195.396643	3692.396511	5072.694594	8521.32681	3461.91327	2083.454522	3086.566312	3580.453908	4596.534097	2567.20516	3307.111387	3119.301604	1250.229235	2028.570373
7.69_317.1145m/z	317.1145257	7.691616667	pos	"bis(3-methylbut-2-en-1-yl)benzene-1,2,3,5-tetrol"	HMDB0133047	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	*		38.1	0	M+K	C16H22O4	-1.587667603	3435.389344	3230.720123	3842.050991	3665.253394	3475.127454	3335.312056	3930.579353	3518.857322	3385.80228	3871.817702	3740.579261	3374.880446	2934.386166	3093.843277	3462.687811	3670.073056	3376.494444	3743.913866	3481.393208
7.89_215.1645m/z	215.1644628	7.888333333	neg	1-Menthyl methyl ether	88398	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.1	0	M+FA-H	C11H22O	-4.732786374	2387.842149	1951.59159	2083.192745	2070.075224	2714.250766	2965.596483	2007.357777	2017.214998	1935.384448	2087.476185	2074.896346	1745.159181	3935.068045	2452.606425	2093.999453	2122.823306	2090.56127	1805.345325	1789.958763
7.97_281.1646m/z	281.1646378	7.9696	pos	8-Hydroxymianserin	1272	Unclassified	Unclassified	Unclassified			38.1	0	M+H	C18H20N2O	-0.720703392	12845.89764	11634.28488	13104.70421	12904.91792	12286.94176	13549.49536	13330.75306	13202.87939	11524.7928	12040.96653	13694.22099	12012.23973	11570.26597	13254.82397	12390.49313	12689.07651	14403.44868	12600.55678	12557.92309
7.99_237.1481m/z	237.148056	7.9898	pos	C75	44901	Unclassified	Unclassified	Unclassified			38.1	0	M+H-H2O	C14H22O4	-1.829502294	2569.314508	2530.492022	2605.648757	2218.21349	2558.1847	2415.205898	2470.667309	2333.71648	2359.133331	2641.878401	2267.21755	3119.20107	2422.319172	3139.096806	2780.453646	2509.900826	2815.115525	2717.469621	2220.364497
8.35_223.0633m/z	223.0633215	8.347766667	pos	"2,4'-Diphenyldiamine"	73114	Unclassified	Unclassified	Unclassified			38.1	0	M+K	C12H12N2	0.624645935	10538.7498	10336.89629	9533.566042	10006.89538	9589.326147	9462.570736	10179.6908	8949.222592	9464.0331	9632.02775	8955.594448	10915.15089	10259.26979	9504.004841	9555.589259	10249.8466	9355.074814	10773.82802	9701.032008
8.83_215.1645m/z	215.1644742	8.834516667	neg	(±)-(E)-3-Methyl-4-decen-1-ol	HMDB0031065	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38.1	0	M+FA-H	C11H22O	-4.665822378	3404.671149	3024.675751	3147.175936	3098.875756	3664.034812	3437.332542	3150.076542	3210.683315	3614.846847	3060.439342	3326.915284	3534.114637	2759.640707	3059.515608	3340.941423	2773.824429	3029.667007	2998.48032	3157.522843
9.11_329.1523m/z	329.152339	9.111633333	neg	Imidiocarb	96330	Unclassified	Unclassified	Unclassified			38.1	0	M-H2O-H	C19H20N6O	0.921446997	2858.609315	3482.450629	2904.268919	2114.140761	3602.879529	1889.811511	3355.65973	3950.881999	4170.496816	4019.370768	3829.459036	2410.604291	2060.426693	3420.748871	3623.561916	3606.293594	2231.563569	2200.856994	2436.791861
9.11_351.1343m/z	351.1342589	9.111633333	neg	"3-Oxo-14,15-dehydrorhazinilam"	HMDB0039105	Benzenoids	Unclassified	Unclassified			38.1	11.2	M+FA-H	C19H18N2O2	-2.521178221	3230.137131	3885.657336	3430.039114	2680.225806	3798.171751	2348.792655	4015.857097	4334.332029	5278.45776	4463.733234	4003.729254	2446.688563	2211.051401	3967.764189	4345.14017	3447.208552	2559.599532	2529.496136	3174.724096
9.11_390.1356m/z	390.135552	9.108616667	pos	N-Acetyl-6-O-L-fucosyl-D-glucosamine	58108	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		38.1	0	M+Na	C14H25NO10	-4.125594641	1504.31178	1678.400993	1330.092764	839.2527889	1759.081485	720.6831462	1873.472412	1945.264394	2044.140732	1652.253815	2084.528296	1288.5523	881.5762237	1682.348418	2186.822615	1742.420274	1085.409844	1067.667768	1245.629221
9.11_701.1004m/z	701.1004414	9.111633333	neg	3'-O-Methyl-(-)-epicatechin-5-O-sulphate	86064	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids			38.1	0	2M-H	C16H15O7S-	0.028711545	2400.990847	2576.696974	2166.062256	1576.769535	2839.577043	1847.221259	2983.630446	3336.991521	3930.43912	2104.409873	2840.688612	1828.188719	1871.810283	3245.024671	3497.515089	2581.126063	1730.332737	1812.181556	2137.04518
9.17_122.0271m/z	122.0270712	9.169666667	pos	D-Cysteine	HMDB0003417	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00793	38.1	0	M+H	C3H7NO2S	0.374068717	76.61220107	89.05543273	105.5369183	68.67464172	129.9928041	74.00559497	95.73235089	78.93318925	42.89386489	102.2313961	103.8256242	115.0322459	135.7974608	138.6702475	119.0146005	171.6644308	142.1550287	149.0003936	113.5833633
9.21_381.2648m/z	381.264809	9.214166667	neg	Pregnanetriol	HMDB0006070	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids	*		38.1	0	M+FA-H	C21H36O3	0.479099383	848.1572858	886.9742286	1053.025623	923.7145985	402.7681522	496.167298	276.5160059	1746.02884	737.3727202	212.5801145	720.0832956	1885.412607	472.0652507	621.1415376	739.0359851	751.0351976	833.0231711	1215.644878	812.0634269
9.44_395.2439m/z	395.2438958	9.442216667	neg	Tetrahydrocorticosterone	LMST02030100	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	**	C05476	38.1	0	M+FA-H	C21H34O4	-0.047476081	1417.56462	1673.473187	1718.620529	1422.38805	1414.719503	1395.166203	1527.532212	1325.55818	1206.669139	987.7226583	1270.348672	1532.789018	1097.483866	1475.336	1539.802864	1148.403667	1146.141685	1298.068902	1383.151962
9.46_300.9916m/z	300.9915835	9.456933333	neg	Erythrityl Tetranitrate	85532	Organic oxygen compounds	Organic oxoanionic compounds	Organic nitrates			38.1	0	M-H	C4H6N4O12	2.113677063	4221.620941	3708.333418	3870.337873	4006.484075	3734.025678	3987.244138	3541.437649	3368.85716	4032.388659	3775.465027	3744.81832	3490.989705	4314.575451	3639.312789	3766.436685	4350.737424	3672.863322	3873.617359	3704.364111
9.62_229.1804m/z	229.1803753	9.624866667	neg	Laurylaldehyde	36591	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*	C02278	38.1	0	M+FA-H	C12H24O	-2.947899727	2232.147297	1966.882688	2261.143611	2531.497675	2637.279131	2094.423721	2282.779293	2464.141949	2621.937006	2401.958729	2392.273339	2251.173287	2230.430853	2060.124652	2717.837345	2677.842852	2181.478387	2372.92255	2088.830457
9.77_538.2577m/z	538.2577293	9.769433333	neg	Imatinib	45466	Benzenoids	Benzene and substituted derivatives	Anilides			38.1	0	M+FA-H	C29H31N7O	1.04966562	1009.777497	1738.872279	1483.953698	374.9402578	1639.644718	374.1781295	474.3242106	0.000297236	0.000297236	286.1290938	696.2330363	90.47146042	905.8589189	543.3461422	229.149042	297.8081338	389.6491716	338.1810186	598.7268017
9.85_452.2785m/z	452.2785351	9.854016667	neg	PC(13:0/0:0)[U]	40277	Unclassified	Unclassified	Unclassified			38.1	0	M-H	C21H44NO7P	0.600432525	1005.716115	1314.916627	1235.840105	1256.812138	2615.028316	969.5035619	1572.486571	763.7618283	1490.799208	1111.559841	1443.788218	2182.906399	1948.789343	1274.491507	1335.155431	856.4467859	1340.518992	763.8563037	897.8442548
9.90_229.1803m/z	229.1803464	9.896683333	neg	"(+/-)-2,4,8-Trimethyl-7-nonen-2-ol"	HMDB0032543	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38.1	0	M+FA-H	C12H24O	-3.104998588	2720.164924	3135.762051	2907.136323	3156.031439	3172.819472	3273.631579	3200.161376	3197.86407	2985.776101	2721.348051	3312.402706	3179.162163	3349.977562	3155.380781	3102.424532	3161.97034	2683.041133	3126.834413	2877.348398
0.06_127.0386m/z	127.0386348	0.06475	pos	Ethyl hydrogen fumarate	HMDB0040207	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38	0	M+H-H2O	C6H8O4	-2.330753682	1844.530449	1434.541047	1463.678871	1391.661532	1455.988684	1627.380055	1668.653108	1502.957017	1445.070589	1583.943038	1499.919796	1439.820001	1337.683157	1305.707855	1496.667397	1585.068696	1605.547046	1543.25003	1415.44367
0.31_269.2471m/z	269.2471273	0.30925	pos	10Z-Heptadecenoic acid	HMDB0060038	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***		38	0	M+H	C17H32O2	-1.414424553	47249.57516	39979.25434	44359.69605	44833.79519	42728.79372	45884.50603	45334.84444	47372.68721	43577.81771	48274.71714	45149.84749	38881.92035	43609.92406	44448.08152	45716.30198	46088.17176	44634.36818	47416.11309	43271.94625
0.33_209.1322m/z	209.1322163	0.32715	pos	"cis-1,2-Diphenylcyclobutane"	70084	Phenylpropanoids and polyketides	Stilbenes	Unclassified		C14467	38	0	M+H	C16H16	-1.252205984	7469.173837	4712.750609	5225.964938	5200.214621	5469.722088	5272.091849	5521.292465	5860.788626	5897.210717	4993.380189	5604.645415	5341.027683	5447.595058	5719.136715	5767.653345	5457.631557	4819.232139	5537.677527	5213.242142
0.35_225.1634m/z	225.1634202	0.346016667	pos	"(Z,Z)-2,9,16-Heptadecatriene-4,6-diyn-8-ol"	88613	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38	0	M+H-H2O	C17H22O	-1.473820185	29912.31532	23885.17325	24503.28227	24860.14724	27190.15995	29041.61245	28164.30197	27628.81385	27371.99535	28018.91394	27790.9938	23734.1132	26746.78321	25313.35949	29047.71008	28741.86982	25973.10295	29943.79128	26693.11046
0.36_329.0047m/z	329.0046819	0.364	pos	D-glycero-D-manno-Heptose 1-phosphate	63659	Unclassified	Unclassified	Unclassified			38	0	M+K	C7H15O10P	4.27709621	59663.73364	57024.25634	57503.72387	61512.56153	57955.83698	61121.42654	60869.12695	61713.77681	58417.79023	65077.95918	66957.70802	51175.79099	53384.61463	58363.03016	60141.1697	62127.03408	56808.85413	60551.91628	55270.18284
0.42_197.1898m/z	197.189764	0.418316667	pos	"4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol"	91321	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		38	0	M+H	C13H24O	-1.161210351	28623.92464	27358.07299	28107.27346	28918.63307	27244.63834	28361.14091	29185.39515	29737.89184	27877.37262	28487.42583	29364.85261	26981.65653	27742.45051	27763.90675	28748.73268	30033.9314	27326.10685	31135.71404	27498.82466
0.44_111.0807m/z	111.0806695	0.439416667	pos	2-Heptenoic acid	HMDB0031484	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38	0	M+H-H2O	C7H12O2	1.780847086	58681.98756	60110.80653	54971.78908	56078.07158	52224.1207	57042.41251	56158.9116	60342.96207	58332.18977	56202.75717	58949.56553	59424.24963	59679.84673	57521.00447	57701.87344	58555.19103	55773.12114	59919.52164	52442.84195
0.50_213.1489m/z	213.1488913	0.499683333	neg	10-Undecenal	HMDB0031128	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			38	0	M+FA-H	C11H20O	-4.322699352	2560.477144	2642.714768	2645.328791	2527.966857	2706.362335	2406.554331	2683.357297	2321.100272	2422.345344	2636.368689	2133.876859	2596.25282	2408.451515	2675.426039	2605.058324	2797.858641	2334.460101	2730.056918	2274.523859
0.51_211.1690m/z	211.1689959	0.5146	pos	Linalyl propionate	HMDB0030425	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		38	0	M+H	C13H22O2	-1.239274703	12783.14994	11957.14077	11460.87276	11669.42537	11250.44948	12093.76276	11983.73841	10757.09449	11447.74728	11387.64724	12066.86847	11644.20665	11673.63144	11588.44213	11869.09091	12422.79299	11068.45592	11571.22305	11039.63176
0.62_293.0868m/z	293.0868071	0.623133333	neg	"6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose"	102927	Unclassified	Unclassified	Unclassified			38	0	M-H	C11H18O9	-3.39541969	2045.170827	2275.228679	2091.094026	2230.878587	1873.613494	1923.745244	2767.356067	576.1479418	1393.307706	2751.55755	3189.527018	1042.450166	2790.569546	3340.739772	2993.814945	1950.661826	2521.906624	1437.304387	2561.757932
0.62_493.2575m/z	493.2574862	0.623133333	neg	"PG(17:2(9Z,12Z)/0:0)"	LMGP04050019	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols			38	0	M-H	C23H43O9P	0.592814231	1038.470297	1424.553074	1693.102666	3348.261523	3174.731045	1326.183062	1202.816644	2165.729439	693.1951544	2268.224514	2616.38991	4489.22506	1970.606628	2172.891839	3252.48661	976.4879489	2381.205774	983.5263027	2033.766555
0.64_268.1630m/z	268.1630032	0.643516667	pos	Valyl-Lysine	HMDB0029132	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38	0	M+Na	C11H23N3O3	-0.648701938	10968.7646	12807.99578	15719.22081	12197.48662	15668.07303	12244.29965	15354.16794	18864.20426	14191.25902	13043.97526	12449.6031	14365.65494	12256.67002	12530.25332	14011.12743	13705.60349	17873.90426	11106.38367	14547.88194
0.71_251.0175m/z	251.0174547	0.712816667	neg	2-Hydroxy-4-trifluoromethyl benzoic acid	HMDB0060715	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives			38	0	M+FA-H	C8H5F3O3	0.840656861	37944.26294	36951.2751	38920.09433	36713.89662	51659.77144	41050.78722	39518.04999	63995.00754	45698.83234	41370.60484	38169.29702	42851.90336	29642.04486	27945.52046	28319.96107	34447.6074	31295.11549	30810.22898	36014.74926
0.71_305.0275m/z	305.0275349	0.712816667	neg	Glucose 6-phosphate	HMDB0001401	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	***	C00092	38	0	M+FA-H	C6H13O9P	-1.486536664	9743.849338	13042.84418	13393.89243	23791.73101	8757.086267	31524.4561	6763.611378	9504.941301	9578.244151	11491.62994	11081.9075	12127.50804	11541.44239	7891.620709	11731.53315	17963.5375	8506.513201	12291.09139	8729.993317
0.73_323.0790m/z	323.079047	0.7299	neg	Quindoxin	HMDB0032927	Organoheterocyclic compounds	Diazanaphthalenes	Benzodiazines			38	0	2M-H	C8H6N2O2	1.44567023	94333.05549	91984.46793	85068.58466	128093.8162	57531.89739	69256.0144	75597.01315	159727.8819	96860.56015	74891.37698	108345.3467	113663.9964	56150.2472	70421.68798	66645.04164	121706.1474	91037.95703	124865.8532	78834.30736
0.75_217.0681m/z	217.0680515	0.7465	pos	1-O-Methyl-myo-inositol	63285	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	**	C03659	38	0	M+Na	C7H14O6	-1.068419154	9014.796311	12702.69211	8913.558143	11864.22017	7960.338207	11113.63467	9547.077368	5163.088103	7745.969299	12213.27924	10217.58467	5849.181447	12097.26834	9766.320158	7719.619092	8001.275924	10463.65562	8847.33144	10874.52904
0.75_219.0472m/z	219.0472152	0.7465	pos	Galactonic acid	3336	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives	**	C00880	38	0	M+Na	C6H12O7	-1.572036911	11503.88134	13310.78676	11033.13306	16470.70063	10222.95753	19392.08915	9176.470638	9440.585354	12725.13662	10072.22172	11312.38531	8313.479162	13557.70806	10657.00521	10581.37454	10379.33706	8134.716389	9182.165117	10759.56285
0.75_332.0948m/z	332.0947813	0.7465	pos	N-Acetyl-b-neuraminic acid	5764	Unclassified	Unclassified	Unclassified			38	0	M+Na	C11H19NO9	-1.360582404	19811.1422	22310.68612	18569.70092	16824.00858	17305.86188	17720.37335	19172.04414	32620.54362	32779.1596	15430.1849	18424.94805	23347.32341	18687.53643	17899.14349	17624.41505	18568.3592	20988.11607	19913.22959	13603.72028
0.76_243.0271m/z	243.0271257	0.764266667	neg	L-Fucose 1-phosphate	6120	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C02985	38	0	M-H	C6H13O8P	-1.646849225	1307.461318	1640.124134	1557.783096	1753.446534	1427.33083	2780.722431	2082.228873	921.5934854	351.3406362	2213.772408	929.8150428	964.7763652	1870.043293	1931.606993	1473.522214	832.0330305	936.2458932	1090.198092	2027.561183
0.78_248.1126m/z	248.1126067	0.781033333	pos	Valinopine	73463	Unclassified	Unclassified	Unclassified			38	0	M+H	C10H17NO6	-1.039922373	44721.75744	44036.16122	45432.77597	52078.13232	38246.0119	40648.43249	34497.32116	33731.42418	34471.55455	36756.13155	41464.60391	51936.27945	48025.1718	45520.42807	51580.96629	46988.95166	46603.25996	49673.39665	59761.25342
0.80_174.0876m/z	174.087636	0.798133333	pos	4-Imidazolone-5-propionic acid	319	Organoheterocyclic compounds	Azoles	Imidazoles	**	C03680	38	0	M+NH4	C6H8N2O3	2.040154433	9306.446715	7014.035831	8698.892113	12486.89833	5738.030193	7738.692163	5944.795959	9163.212496	9968.365623	4907.496708	9321.590762	17951.31561	5664.509335	4929.140098	6283.11955	6250.103843	6228.522933	11684.67823	8204.941641
0.80_252.0533m/z	252.0532824	0.798133333	pos	CAY10572	45627	Unclassified	Unclassified	Unclassified			38	0	M+K	C12H11N3O	-0.411286866	11932.19527	11334.6645	9522.55701	13829.87823	5946.292134	8989.577314	5149.727412	12763.37238	13793.78357	7670.70038	7828.350365	25511.64183	7959.031239	8756.922555	11784.1507	9000.891971	9278.545978	14557.43835	14963.30357
0.80_309.0463m/z	309.0463118	0.801	neg	Cabbage identification factor 2	HMDB0033622	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38	1.24	M-H2O-H	C15H12N4O3S	3.479890192	420358.2127	277459.2465	364736.9452	362330.9011	453285.6897	307688.2647	551824.7489	242615.2647	487220.9153	563872.6943	613554.657	252487.0504	597764.4712	693917.4291	521338.074	400968.9377	525025.136	266941.1197	464105.5285
0.90_278.0435m/z	278.0434675	0.898616667	neg	Vitamin B6	234	Organoheterocyclic compounds	Pyridines and derivatives	Pyridoxines	**	C00314	38	0	M+FA-H	C8H12NO5P	-0.190976086	3555.317174	3028.286615	3489.869565	3369.713721	2627.068981	3169.624778	2577.186307	2103.56915	1473.660319	2685.822122	2932.46821	2531.697823	3273.828711	2722.839084	2494.929561	2846.37595	2589.041492	2185.39882	5089.049469
0.94_218.0146m/z	218.0146071	0.937716667	neg	Polyvidone	HMDB0033843	Organoheterocyclic compounds	Pyrrolidines	N-alkylpyrrolidines			38	0	M+FA-H	C6H9NOP2	2.699328625	98.59776381	97.42738714	99.52462585	0.000297236	128.1033843	105.6468129	132.900129	165.59452	0.000297236	167.6759579	0.000297236	79.99649473	0.000297236	0.000297236	216.8690647	0.000297236	175.1817346	0.000297236	125.11449
0.95_175.0964m/z	175.0963544	0.94875	pos	Ethyladipic acid	HMDB0002023	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38	0	M+H	C8H14O4	-0.752182469	2058.24196	2337.638798	1675.73785	2057.310397	2328.188536	1831.781803	1911.886751	2120.503888	2293.780386	1906.15099	1293.2205	2308.335717	2738.091596	2217.040341	1907.736506	1850.349137	2219.565489	2070.41598	1476.183409
0.99_201.1485m/z	201.1485267	0.9872	pos	Clarycet	HMDB0036029	Organoheterocyclic compounds	Oxanes	Unclassified			38	0	M+H	C11H20O3	0.028999396	1062.9392	1111.786074	1229.592457	1409.338255	1099.300515	793.710692	816.1305856	815.0372312	1471.35428	1256.200397	971.4531672	744.4664999	1389.853902	1334.662296	963.4024176	1159.772192	1027.98093	1146.150447	876.8597613
1.04_369.0986m/z	369.0985508	1.043083333	neg	S-6-Hydroxywarfarin	HMDB0013880	Phenylpropanoids and polyketides	Homoisoflavonoids	Homoisoflavones			38	0.148	M+FA-H	C19H16O5	1.771932509	39257.63631	42235.33263	37367.99199	32946.75305	50222.84209	60105.94569	35364.36881	39815.9442	39252.30557	60289.77183	35227.64194	38148.05697	67472.39159	49797.27018	37946.1436	46047.72415	41371.11006	40666.88672	51871.06376
1.06_231.0979m/z	231.0978953	1.063433333	neg	Alanyl-Proline	85610	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38	0	M+FA-H	C8H14N2O3	-4.02944404	4736.047104	6927.374953	5466.938498	4925.951499	8624.954852	6750.937452	5627.071801	4952.546514	4369.103673	6613.487271	5763.630259	5758.65613	5773.291501	6454.449518	4828.426185	4965.972633	5175.536669	3447.882425	7753.242208
1.12_253.0925m/z	253.0925421	1.118516667	neg	Ammeline	73559	Unclassified	Unclassified	Unclassified			38	0	2M-H	C3H5N5O	3.931378201	3777.142717	4003.905741	3111.199265	2771.878945	3907.785657	11712.34038	2196.356308	198.0339773	303.2407567	12348.84758	2477.882802	1008.435093	4999.603495	4371.189741	1670.081467	2125.298504	2418.626121	2396.329597	3908.279317
1.18_623.1008m/z	623.1007675	1.1797	neg	XAV939	45564	Unclassified	Unclassified	Unclassified			38	0	2M-H	C14H11F3N2OS	-1.271218322	2926.46597	3173.315792	2900.415864	3295.627923	2543.086101	3439.778466	3469.799482	2883.445895	3510.154062	4059.615719	3334.546284	2325.29242	4376.324024	4918.294322	2972.091493	4032.28897	3668.167039	4097.947289	3467.569056
1.20_176.0915m/z	176.091484	1.199533333	pos	Citraconic acid dimethyl ester	6495	Unclassified	Unclassified	Unclassified			38	0	M+NH4	C7H10O4	-1.58370569	532.0801387	421.2076278	331.243103	297.575782	1436.876674	1401.005002	146.8369772	378.0323855	561.1203976	2222.510556	0.000297236	529.5944382	271.1588116	0.000297236	320.1575275	108.2957236	611.2893319	92.69112883	0.000297236
1.22_144.1017m/z	144.1016956	1.219283333	pos	4-(Trimethylammonio)but-2-enoate	66118	Unclassified	Unclassified	Unclassified			38	0	M+H	C7H13NO2	-1.464033762	826.4541779	610.676759	703.9600416	1181.884433	900.8960402	1445.957768	737.883947	837.7951456	717.6086323	1022.261174	667.0150096	749.9941486	799.8884649	455.5283302	702.3116896	583.6351658	760.0519066	672.9456488	645.8688475
1.22_159.1379m/z	159.1379126	1.219283333	pos	Oenanthic ether	LMFA07010984	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		38	0	M+H	C9H18O2	-0.276039883	873.2728803	1106.799048	1323.414456	1049.728242	1025.972959	944.2630692	883.6400615	1025.420203	749.7097826	899.4084429	1356.419406	805.8562159	1069.689272	910.7812877	980.010376	781.5440505	1121.155706	1285.475101	603.5237227
1.22_395.0298m/z	395.0297614	1.219283333	pos	"[2,6-dihydroxy-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenyl]oxidanesulfonic acid"	HMDB0133147	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins			38	4.51	M+H-H2O	C13H16O13S	4.582448141	22018.87959	19229.30675	22512.80547	22926.82921	23712.07508	15593.00637	21948.601	6194.705486	8784.497308	21976.47264	19974.3746	16075.44177	31120.56502	25936.58993	27504.90162	24918.19002	25055.57912	21048.11475	26962.32972
1.24_253.0108m/z	253.0107943	1.239083333	pos	"2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate"	63524	Unclassified	Unclassified	Unclassified			38	0	M+K	C9H10O6	-0.475789195	830.3200206	1062.969563	1040.861282	390.3204101	2757.300737	0.000297236	847.5622043	809.9776663	405.5749053	2295.189721	553.7258464	1225.720905	1476.168061	2698.894445	1713.519087	2023.464963	1280.351605	251.254894	510.2727932
1.26_625.1233m/z	625.1233326	1.259833333	neg	Triazophos	72443	Unclassified	Unclassified	Unclassified			38	0	2M-H	C12H16N3O3PS	0.975762832	148451.0915	190326.2291	208153.646	221478.2295	181404.0459	230742.2157	237018.8006	114388.4319	152203.0336	218477.5113	195582.0133	73784.0908	179902.5012	147581.6139	195689.4293	205012.2652	187050.4074	193504.9205	203761.4794
1.28_488.1376m/z	488.1376111	1.278416667	neg	4-Hydroxy duloxetine glucuronide	HMDB0060763	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38	6.63	M-H	C24H27NO8S	-1.738254698	35826.09879	55567.62616	59133.47743	47518.23372	45965.97268	51452.35505	60906.95915	35185.30727	32112.39067	54534.8564	54594.8506	36863.20154	44825.89005	45755.85299	47598.30265	51817.22569	52403.80994	45971.63393	53953.04016
1.32_302.0661m/z	302.0660842	1.317533333	neg	"1,3,5-Trihydroxy-10-methylacridone"	HMDB0041468	Organoheterocyclic compounds	Quinolines and derivatives	Benzoquinolines			38	3	M+FA-H	C14H11NO4	-3.603976805	6685.633979	5301.918207	4932.666542	10507.12862	4952.465952	9109.078502	7572.241159	8033.350342	4559.417168	6878.432569	6054.944903	4228.335698	4826.087081	4428.392959	4842.702435	5776.122264	4841.09911	7440.068005	6366.716294
1.38_270.1446m/z	270.1445796	1.375966667	pos	3-Hydroxyhexobarbital	65899	Unclassified	Unclassified	Unclassified			38	0	M+NH4	C12H16N2O4	-1.003115579	8466.894797	9877.064313	9382.272199	7321.234881	10493.49843	9343.419175	10649.71965	9428.092214	7998.407934	9284.73596	7895.925284	7451.417741	11711.28314	11204.25302	10116.40623	8521.086096	11021.95026	7390.546176	13051.6469
1.38_332.2792m/z	332.279216	1.375966667	pos	"9,10-Epoxy-18-hydroxystearate"	73267	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C19620	38	0	M+NH4	C18H34O4	-1.015425258	20622.5654	16888.02098	17204.19493	19459.28747	18448.31115	21507.37107	20090.35291	18462.16263	17745.44842	18512.65776	21231.52757	17372.67179	17665.13718	17198.24448	19728.10651	19589.22812	19463.19663	19071.25524	16074.69654
1.42_201.1236m/z	201.1235864	1.420133333	neg	ALANYL-dl-LEUCINE	44268	Unclassified	Unclassified	Unclassified			38	0	M-H	C9H18N2O3	-4.351820573	473.4763446	435.480441	514.4687049	158.797209	713.7784552	256.2408294	849.7678404	36.98800529	77.8403837	674.6347809	312.7450407	42.47236199	674.0773518	827.4546112	754.2727148	612.503339	631.8234973	222.0191888	670.3939012
1.48_184.0603m/z	184.0603168	1.4757	pos	Terephthalate	HMDB0061917	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	**	C06337	38	0	M+NH4	C8H6O4	-0.707361994	1164.226752	1400.805753	1440.54142	955.7201931	2935.048292	1783.415191	610.6772566	1485.898598	1520.926604	2258.387396	492.8469341	1133.566773	1573.853757	1333.135421	1098.74417	752.6780605	768.3461626	739.571545	1503.36235
1.53_278.1145m/z	278.1144595	1.526883333	neg	Phenylalanyl-Asparagine	85892	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38	0	M-H	C13H17N3O4	-0.609564449	445.1373591	442.9919614	420.3046578	277.1405345	748.8907254	568.0753025	1107.139201	50.87941262	117.4420654	675.5906505	511.005029	80.11674282	699.5680158	701.330861	440.5289807	405.1107217	522.3552951	279.5948257	566.7119721
10.08_566.3077m/z	566.3076607	10.08475	neg	PS(10:0/10:0)	40807	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			38	0	M-H	C26H50NO10P	-4.047658756	22216.41736	22130.84555	21624.05579	26471.17631	25444.4646	23306.454	28118.01034	18906.75384	29589.41641	19844.32343	26737.4036	27239.75454	32629.41156	34896.38501	19815.63497	18249.53597	19383.25952	22426.15815	34572.60483
10.13_526.3150m/z	526.3150364	10.12653333	neg	PC(15:0/0:0)[U]	40379	Unclassified	Unclassified	Unclassified			38	0	M+FA-H	C23H48NO7P	-0.012507502	1735.360898	1842.174872	1524.04841	1488.339366	1453.132319	1756.954304	1847.880189	1763.111393	2351.53105	1801.503714	1651.025558	2187.917808	1356.92126	1175.900964	2174.208733	1762.583237	1883.114145	2219.672457	1116.49317
10.25_385.2231m/z	385.2230789	10.25406667	neg	"10,11-dihydro-20-trihydroxy-leukotriene B4"	HMDB0012503	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		38	0	M-H	C20H34O7	-0.253902107	5558.673353	5606.177165	4695.428588	4408.957648	5004.348534	5174.551067	5323.435603	4666.191588	4957.452388	5406.595996	5302.166193	4845.120426	5418.042075	5227.273093	5339.573624	5577.410801	4231.815767	5321.868069	5305.315689
10.36_366.2971m/z	366.2970812	10.36063333	pos	Dihydroceramide C2	43402	Unclassified	Unclassified	Unclassified			38	0	M+Na	C20H41NO3	-2.282621482	4313.58711	2779.686961	4118.083173	3876.75076	4362.397199	4117.161953	4087.730573	3978.067501	3254.862887	4196.204959	4111.469325	3283.093883	3124.851954	3459.317873	3638.934285	4609.98275	3540.673905	3694.717628	3379.626111
10.42_243.1961m/z	243.1960906	10.42301667	neg	6Z-Tridecen-2R-ol	LMFA05000520	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			38	0	M+FA-H	C13H26O	-2.410287587	1811.685305	1720.380024	1768.319931	1911.472981	1877.849776	1790.823222	1564.889935	1762.848178	1690.310508	1595.650639	1673.271758	1683.239131	1749.208533	1855.766559	1791.319572	1532.69008	1658.905273	1926.124149	1635.249024
10.46_479.2602m/z	479.260248	10.4628	pos	Pimozide	1938	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes		C07566	38	0	M+NH4	C28H29F2N3O	-3.136303424	37113.08693	36698.67515	37149.24001	34503.54642	45477.65826	57193.76094	32937.61745	19540.34566	27099.25402	47068.26825	35607.30256	32639.25849	48404.74514	49411.35545	37287.23777	38800.47779	37214.2589	42422.68084	47949.12663
10.47_265.1477m/z	265.1477208	10.46646667	neg	"6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium"	HMDB0033483	Benzenoids	Phenols	1-hydroxy-2-unsubstituted benzenoids			38	0	M-H2O-H	C18H22NO2+	1.787751482	132913.6237	138979.1704	138522.5736	104749.5173	105505.448	100841.3489	114797.7462	98775.44611	109576.95	105838.9517	124637.0372	102872.6278	95749.49697	150396.8982	101966.0221	99215.73147	140503.3888	121949.612	115616.972
10.53_339.1146m/z	339.1145692	10.52578333	pos	"4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenol"	HMDB0142434	Phenylpropanoids and polyketides	Stilbenes	Unclassified			38	0	M+K	C22H20O	-0.013904587	9316.697236	7801.486235	8451.894387	9282.685952	9960.199447	10562.4892	9517.384308	3674.329104	4609.852644	7634.612841	8983.358346	4555.443919	13002.96422	14330.12521	12210.82665	10671.00356	10719.88048	9730.676812	14499.96916
10.61_496.3995m/z	496.3994582	10.61115	pos	Orlistat	HMDB0015215	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38	0	M+H	C29H53NO5	-0.387542046	1723.240643	2980.982564	2279.381515	2045.562139	990.5718111	3300.720574	1563.750034	5507.755194	2442.96557	1112.426772	1179.09749	4302.030836	1776.690333	4141.742949	1520.27252	1724.60652	3046.946294	1772.034254	3225.768365
10.80_179.0547m/z	179.0546921	10.79778333	pos	2-Keto-3-deoxy-D-gluconic acid	HMDB0001353	Organic acids and derivatives	Keto acids and derivatives	Medium-chain keto acids and derivatives	**	C01216	38	0	M+H	C6H10O6	-1.810791178	480.1188922	459.5295986	472.1982231	529.9409243	496.6756535	457.661811	408.4382402	468.9862207	398.4124101	576.0432318	498.3950924	516.127793	485.6776816	522.4627457	440.4091309	538.0182643	429.1110978	402.049343	489.5960268
10.89_431.2914m/z	431.2913738	10.89226667	neg	N-arachidonoyl glutamine	LMFA08020126	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			38	0	M-H	C25H40N2O4	-0.364514895	939.8876501	729.0952707	1113.4972	1327.782354	938.8331387	981.9659568	413.9268579	1279.8286	1173.322975	940.0389467	1141.116367	1799.067823	710.9888576	804.8073657	979.9330172	885.355487	1542.07257	1102.03791	617.8532711
10.95_591.1774m/z	591.1774045	10.9545	neg	4-Carboxynevirapine	HMDB0060759	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids			38	0	2M-H	C15H12N4O3	4.728975227	1590.00531	1021.581243	1196.446228	1059.970729	649.1879393	2110.719862	946.4589214	1499.066741	404.2990386	1608.625575	1299.422808	2636.557849	541.6827074	1363.253528	1622.18612	1898.488494	2617.042054	2560.980062	1858.317868
11.00_286.2371m/z	286.2371071	11.00345	pos	Methoprene acid	43446	Unclassified	Unclassified	Unclassified			38	0	M+NH4	C16H28O3	-2.100020402	3621.919755	4341.282509	3943.261182	4425.603036	4054.216954	4043.027353	2928.819208	4134.430861	4140.347454	3024.20387	3783.123086	6335.778782	4150.303486	3446.415943	4221.98217	4301.521379	5822.548845	4166.76597	4848.411187
11.19_299.0953m/z	299.0953014	11.1889	neg	{[3-hydroxy-2-(phenylmethylidene)heptyl]oxy}sulfonic acid	HMDB0126525	Phenylpropanoids and polyketides	Cinnamyl alcohols	Unclassified			38	0	M-H	C14H20O5S	-1.889103486	4126.970593	4920.07375	5085.708652	3892.329482	7021.157437	3381.590244	4041.211782	6483.918882	8358.401994	3727.404795	4236.194698	6440.70909	6262.072469	5768.537028	4822.133976	3340.205667	3086.093127	3183.359649	5449.809611
11.19_341.1525m/z	341.1525102	11.1894	pos	"Morphinan-3-ol, hydrogen sulfate"	1979	Unclassified	Unclassified	Unclassified			38	0	M+NH4	C16H21NO4S	-1.375514874	5280.194408	6117.269637	5820.157465	4163.296114	8336.942876	3428.975825	4041.319688	6714.302148	9974.286506	3636.574541	4792.651776	10056.34322	7579.291855	6049.585453	5454.058319	3842.226397	4060.77726	3923.231556	6638.940726
11.34_410.3469m/z	410.3469084	11.33533333	pos	Lignoceric acid(d3)	45759	Unclassified	Unclassified	Unclassified			38	0	M+K	C24H45D3O2	-1.375211658	9075.360525	8607.77763	8627.318486	9656.020608	8804.546456	8540.754783	8491.820293	8103.422415	7900.263958	8075.550918	8392.113706	8922.733062	8742.600109	9203.975652	7892.127675	11462.1061	8480.738329	8788.554106	8265.873069
11.44_597.3045m/z	597.3044854	11.44436667	neg	AGC	43439	Unclassified	Unclassified	Unclassified			38	0	2M-H	C15H25NO3S	1.224208246	6849.606975	6640.042061	7529.533736	6075.540011	12498.89644	13548.66386	7506.690759	3316.379205	4754.784443	6315.755959	6900.707873	6106.540303	14161.28676	10995.11538	7191.057327	8606.980681	8524.007486	7495.3756	12692.51135
11.66_398.2697m/z	398.2697308	11.65745	neg	Latanoprost ethyl amide	45716	Unclassified	Unclassified	Unclassified			38	0	M-H2O-H	C25H39NO4	-0.807134311	1267.681833	1307.064614	1090.598957	2034.990492	1112.534892	1759.597595	1410.095113	1627.13022	1257.565718	1499.136378	1173.902132	1816.090134	1237.06547	1152.176068	1365.55413	1704.386914	1895.49382	2590.597391	1689.788768
11.83_467.3384n	468.3457086	11.82918333	pos	PC(O-14:0/O-1:0)[S]	40195	Unclassified	Unclassified	Unclassified			38	0	"M+H, M+Na"	C23H50NO6P	1.834253075	31574.52416	27658.08899	33276.70871	35390.69069	31117.40873	21518.68083	33950.94239	8496.309829	26278.97039	11249.5136	30546.37994	30244.09308	38806.91245	42769.39416	21060.00274	22862.87117	22064.17625	25773.64858	35206.71104
11.95_344.2802m/z	344.2802197	11.95288333	neg	3-Dehydrosphinganine	HMDB0001480	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C02934	38	0	M+FA-H	C18H37NO2	-1.378676403	1148.101748	1203.355482	819.4199279	1104.85059	1152.676868	1057.15908	1128.732782	762.7566575	1187.985579	1272.801137	865.5948702	1277.788949	1111.597716	1069.972086	996.8134998	1294.684358	864.3723074	1222.462332	1317.221708
12.16_102.1280m/z	102.1279759	12.15825	pos	Cyclohexane	HMDB0029597	Hydrocarbons	Saturated hydrocarbons	Cycloalkanes		C11249	38	0	M+NH4	C6H12	2.973024169	1801.847229	1924.56477	1958.737974	2118.426377	1930.230097	2024.149931	1977.280385	1959.845917	2059.379022	2187.229551	2143.734832	1933.366603	1990.175565	1886.544205	2142.417938	2025.585152	2070.570217	2181.990079	1915.179637
12.19_370.2959m/z	370.2959204	12.18593333	neg	Vaccenic acid ethanolamide	LMFA08040059	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			38	0	M+FA-H	C20H39NO2	-1.112695823	2303.524098	2070.55667	1963.396402	2143.915193	2114.527523	2477.269368	1846.417122	1197.094484	1413.75699	1986.89766	2117.21047	2054.830344	2190.729882	2096.226129	2228.997536	2058.79412	1851.860167	2103.615699	1869.391494
12.19_414.1350m/z	414.1350251	12.18593333	neg	"(3R,5S,6E)-rel-7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-Heptenoic acid"	2948	Unclassified	Unclassified	Unclassified			38	0	M+FA-H	C21H20FNO4	-2.205449761	1176.055719	1027.390588	1049.960278	871.8965661	1645.00283	664.6219905	472.5724242	1430.129625	1935.29665	294.8040546	858.5608204	1715.260308	2202.927311	995.8650147	716.2912389	773.7719857	653.3560032	925.2160139	1317.042998
12.35_412.2102m/z	412.2101945	12.35293333	neg	Bambuterol	85510	Benzenoids	Benzene and substituted derivatives	Phenoxy compounds			38	0	M+FA-H	C18H29N3O5	3.460072889	3756.97384	3034.09454	3761.727309	4844.765284	3990.424664	4399.338551	4410.491845	4322.656954	4101.211846	3940.862051	4666.815035	5575.148355	5241.761343	5221.983335	4594.699748	4469.540591	4874.117841	4668.425132	4417.158368
12.35_531.1949m/z	531.1949075	12.35293333	neg	Galactan	7023	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C05796	38	0	M-H	C20H36O16	3.473961486	8454.845922	6785.406614	8536.972231	11527.63266	9367.647346	10449.80733	9059.527978	8479.867668	7434.501003	8593.348311	11591.3575	10380.1226	12038.87811	11298.94156	10780.36182	9115.688815	9529.221362	11008.10973	9002.942996
12.38_297.2892m/z	297.2892086	12.38098333	pos	Linoleamide	LMFA08010008	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	*		38	2.02	M+NH4	C18H33NO	-2.977806931	9386.982902	10471.25052	12321.92645	7918.245134	14222.70816	8917.223255	12898.72283	12927.11517	8510.366554	10756.19164	9737.269997	11465.56794	12261.56781	14026.04906	7566.839753	9313.042135	8918.055363	10300.08016	9624.184581
12.54_453.1584m/z	453.1583935	12.54275	neg	Bakkenolide D	HMDB0034998	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		38	0	M+FA-H	C21H28O6S	-1.148930542	3756.944953	4908.555843	4000.925698	4982.608472	5326.232592	4758.133666	3665.148901	4278.216652	5225.988657	5353.707816	5873.403213	5498.813562	5878.149133	4712.556636	4721.422566	4436.160663	5518.297489	4710.507641	4370.421748
12.74_228.2317m/z	228.231699	12.74431667	pos	2-tetradecenal	75355	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*		38	0	M+NH4	C14H26O	-2.340491937	3322.698067	2746.652502	3253.072762	3328.836825	3943.295268	3215.125433	3003.63622	3090.838498	2894.180811	3446.260487	2929.604734	3161.017366	2962.003186	2510.994976	3184.226424	3128.341474	3345.999346	4004.534994	3108.561066
13.23_442.1661m/z	442.1660667	13.23398333	neg	Tiaprost	96518	Unclassified	Unclassified	Unclassified			38	0	M+FA-H	C20H29O6S	-1.563207988	7770.249309	8400.204926	8808.571945	8047.867555	10034.57603	9040.605455	7929.956608	8904.299729	10394.66948	7761.694195	7489.355153	11020.47977	12613.77149	9820.170487	8297.480285	9524.998214	9284.604743	10060.96314	9763.638474
13.25_381.2795m/z	381.2795433	13.25483333	neg	"19-Nor-14,20-bisepi-23-yne-1,25 dihydroxyvitamin D3"	LMST03020645	Lipids and lipid-like molecules	Sterol Lipids	Secosteroids			38	2.28	M-H2O-H	C26H40O3	-0.901127867	2279.761555	3119.514409	2850.804991	2096.68214	2381.694371	2379.705163	1953.693689	3207.060335	3027.336541	1772.433867	2206.507092	2682.972267	3558.862641	1957.574357	2018.873808	3304.556945	2160.599404	2552.287138	2076.156054
13.44_461.0070m/z	461.0069582	13.44161667	neg	N-Phosphohypotaurocyamine	66013	Unclassified	Unclassified	Unclassified			38	0	2M-H	C3H10N3O5PS	-3.293210201	7190.163105	5298.399884	3995.253431	5290.499029	4949.563883	6147.564851	5966.055683	5297.946784	6094.561097	6284.113487	6231.23707	3979.296607	6190.162062	3956.222233	4871.879288	5135.466559	4710.797847	5334.229948	4136.532469
13.91_433.2841m/z	433.2840651	13.913	pos	N-Desmethylmifepristone (RU 42633)	1305	Unclassified	Unclassified	Unclassified			38	0	M+NH4	C28H33NO2	-2.142723566	4698.301079	7408.042448	8500.283372	3965.964819	14181.02022	13656.45216	5246.168189	11011.11436	16490.39191	12032.29977	3510.983115	10220.32838	29909.91085	11955.7175	4887.482587	2737.332697	4481.532623	4162.615477	5995.34814
15.32_281.0042m/z	281.0042444	15.31833333	neg	5-Nitrofurfural	69938	Unclassified	Unclassified	Unclassified			38	0	2M-H	C5H3NO4	-3.171165523	1704.913895	1557.363222	1704.385087	1342.365718	1332.380071	1415.673327	1195.083815	1595.884808	1149.498608	1701.236096	1739.728157	1261.059728	1538.297032	1946.207859	1646.302991	1508.134019	1471.261799	1463.562315	1175.990015
15.55_219.1116n	202.1082718	15.54558333	pos	Cis-zeatin	HMDB0012204	Unclassified	Unclassified	Unclassified			38	0.8	"M+H-H2O, M+H"	C10H13N5O	-2.053777068	55210.42704	46667.44588	53293.86044	54650.13588	56584.5153	54734.73844	51754.07155	50478.29872	57880.28469	55686.24742	52727.04138	50176.80782	47763.00038	49749.35547	52984.92104	53218.65215	52067.97698	54037.61362	50795.96387
15.72_297.0818m/z	297.0817591	15.71671667	pos	5-Amino-1-ribofuranosylimidazole-4-carboxyamide	66234	Unclassified	Unclassified	Unclassified			38	0	M+Na	C9H14N4O6	4.393691165	33984.43885	42116.51815	33133.44113	37661.13694	36537.56415	34669.65505	32737.6857	33555.09771	32618.80464	33867.30692	36831.41381	39869.80974	40388.81663	38102.79524	38172.278	38672.86188	36495.41155	35175.01179	35118.08334
15.76_175.0964m/z	175.0964052	15.75651667	pos	Suberic acid	HMDB0000893	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C08278	38	0	M+H	C8H14O4	-0.460598679	6216.655381	7033.699388	6499.198378	6804.766943	5684.953437	7140.121571	5857.395366	5226.144462	5882.001387	6291.935053	6844.106207	6568.980986	7361.2116	6268.247432	6980.858688	6840.97986	6395.488854	6432.686828	5996.201493
2.05_248.1149m/z	248.1149333	2.054766667	neg	Isopentenyladenine	6612	Unclassified	Unclassified	Unclassified			38	0	M+FA-H	C10H13N5	-1.797212071	2571.104438	2673.172345	2963.763948	2350.433264	2720.434098	2390.783815	2955.209009	2340.534028	2227.519707	2355.178042	2546.400409	2384.398057	2656.783626	2770.010287	2787.805427	2836.474919	2802.103192	2823.046015	3128.15636
2.05_633.1259m/z	633.1258652	2.054766667	neg	Kolaflavanone	LMPK12040002	Lipids and lipid-like molecules	Polyketides	Flavonoids		C09761	38	0	M+FA-H	C31H24O12	1.506738584	2805.844499	3851.681432	2702.035671	2460.210993	1989.618665	1981.525311	2644.723164	1986.196683	819.7583111	2471.91448	3145.306545	2564.162513	1871.937138	2869.133124	2031.590691	1747.048404	2173.0022	3616.250599	2712.531999
2.06_148.0757m/z	148.0757109	2.057533333	pos	4-Hydroxy-1-(3-pyridinyl)-1-butanone	73234	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C19565	38	0	M+H-H2O	C9H11NO2	0.124231183	2858.491876	3347.805069	2614.657042	3091.660582	2586.168187	1812.412196	2187.366797	2328.662972	1384.404967	2624.29256	2822.381486	3307.154818	2973.016749	3402.991355	2003.451262	3348.828003	2419.71829	2382.129932	2881.857582
2.27_219.0768m/z	219.0767997	2.267433333	neg	1H-Indole-3-acetamide	HMDB0029739	Organoheterocyclic compounds	Indoles and derivatives	Indoles	***	C02693	38	0	M+FA-H	C10H10N2O	-4.113845244	2386.643247	2782.318436	2514.538067	2138.979512	2577.789029	2650.788162	2242.654593	2638.307817	1964.295749	3190.051162	2229.411073	3213.346614	2086.020171	1823.650022	2673.015255	2180.371924	2667.73141	2557.162949	3453.760616
2.31_190.0450m/z	190.0449808	2.3126	pos	Quisqualic acid	66893	Unclassified	Unclassified	Unclassified			38	0.462	M+H	C5H7N3O5	-4.581084189	1615.000265	1951.936669	1504.884627	691.0575572	2527.70147	866.2759239	631.2692277	4140.98476	3062.21107	1041.695198	815.6652608	1582.131129	1168.494111	1697.714371	1357.725548	1442.173987	1314.65767	1044.206483	1041.071032
2.74_157.0378m/z	157.0378415	2.743033333	pos	3-Methylamino-L-alanine	66889	Unclassified	Unclassified	Unclassified			38	0	M+K	C4H10N2O2	3.860628022	1555.482036	1563.279054	1625.756302	1876.867513	1490.724088	1827.451849	1936.109347	1365.398859	1456.746034	1604.343299	1538.049974	1799.349715	1794.353117	1904.37199	1438.256624	1709.574509	1399.125033	1553.405894	1788.716275
2.74_170.0450m/z	170.0450157	2.743033333	pos	Dihydrodipicolinic acid	333	Unclassified	Unclassified	Unclassified			38	0	M+H	C7H7NO4	1.369918528	238.1554914	234.1136815	280.6937206	272.2268267	240.8814355	312.2338969	180.6710065	156.4644624	374.7992861	314.239745	178.4217163	83.07012705	210.4600883	267.2095122	332.4856538	205.9569944	320.7292832	313.951122	345.8300077
2.78_245.0781m/z	245.0781073	2.78305	pos	Monoisobutyl phthalic acid	58086	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives			38	0	M+Na	C12H14O4	-1.451294627	3144.195457	3383.817132	2953.317123	3108.518853	2843.053979	3183.219297	3270.42716	3014.412682	2555.610475	2987.708575	3218.505069	3020.264735	2799.306457	2997.202694	3350.32021	4653.409385	3214.972029	3069.658968	2801.868402
3.49_497.2254m/z	497.2253916	3.494566667	neg	Lansiumamide A	93244	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Cinnamic acid amides			38	0	2M-H	C17H15NO	3.893371318	596.095827	615.1657044	568.373585	231.1532703	259.9329453	211.1197298	323.1450483	727.941927	743.1328098	671.3135025	408.3576464	156.8574692	632.7644376	809.7537708	701.4685756	796.7479648	992.0566305	432.5075961	841.2106073
3.54_166.0863m/z	166.0862866	3.538083333	pos	4-Hydroxycinnamyl aldehyde	44643	Phenylpropanoids and polyketides	Cinnamaldehydes	Unclassified	**	C05608	38	0	M+NH4	C9H8O2	0.21355429	25256.22935	20172.02753	23507.66003	23897.92799	23785.43654	23354.72288	22576.05489	22382.54598	20658.46296	23240.97419	23120.76003	22358.83643	21547.62276	22148.62024	23797.95789	23539.03911	23694.27141	24000.26558	25701.1461
3.54_483.2485m/z	483.2484886	3.538083333	pos	"1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate"	HMDB0062313	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	*		38	0	M+Na	C23H41O7P	0.603302188	7725.630386	5911.439415	5515.751923	7586.027617	7365.186273	8585.492673	8281.15029	4689.663118	3907.762215	6796.868765	5052.516023	9192.065745	7502.528728	6210.243822	7714.792528	6060.730605	6144.993053	10435.74021	10455.48059
3.70_155.0702m/z	155.0701555	3.699366667	pos	3-Isopropenylpentanedioic acid	HMDB0032352	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		38	0	M+H-H2O	C8H12O4	-0.668759294	2468.905913	2824.370084	2591.143795	2725.67014	2530.783604	2654.347338	2547.700845	3061.033222	2634.835126	2813.303004	2597.274383	2601.675762	2926.009938	2569.25532	2689.118218	3130.526258	2806.657913	2360.606993	2504.182448
3.70_539.2812m/z	539.2811988	3.699366667	pos	L-Olivosyl-oleandolide	LMPK04000032	Lipids and lipid-like molecules	Polyketides	Macrolides and lactone polyketides	**	C11991	38	0	M+Na	C26H44O10	-2.84629249	2949.431785	2609.135418	2126.767636	3404.120806	2389.252431	3201.768568	4287.063702	3516.555694	3722.093056	2761.849764	3157.918482	4178.86971	4818.43812	3935.044658	2084.357941	4159.196681	2810.357204	2673.900772	3558.157135
3.81_258.0416m/z	258.0415738	3.807833333	neg	2-Phthalimidoglutaric acid	2816	Unclassified	Unclassified	Unclassified			38	0	M-H2O-H	C13H11NO6	2.807382323	4105.305704	4480.080023	4506.580287	2150.284819	9115.163243	5043.033869	7848.010389	2398.992829	2677.675442	10578.25263	3785.371184	1860.491408	4963.149296	5647.348949	4740.135728	3981.380879	3912.452363	2462.3035	3922.081312
3.83_248.0596m/z	248.0596186	3.829583333	neg	S-Ribosyl-L-homocysteine	63431	Unclassified	Unclassified	Unclassified			38	0	M-H2O-H	C9H17NO6S	-0.743381027	289.8962385	295.81705	283.9844112	225.4065418	402.7007295	169.7651322	257.3856468	774.6945296	486.7468694	167.9609646	196.2221101	400.6200099	256.2565012	238.3519794	251.4306924	157.2344732	208.0503823	245.9223828	315.7944255
3.83_418.1719m/z	418.1718699	3.829583333	neg	7-O-Demethylterazosin	2722	Unclassified	Unclassified	Unclassified			38	0	M+FA-H	C18H23N5O4	-3.58320906	412.826837	307.3576617	507.2893847	484.9364858	926.0830817	1088.080375	285.3407007	349.0650833	384.6558797	796.4722464	322.8416745	290.6427744	688.9190654	713.043462	158.0873775	195.3755177	411.2695826	263.2550415	911.8394771
3.91_219.1230m/z	219.1230105	3.912883333	neg	"2,4,6-Triethyl-1,3,5-trioxane"	89676	Organoheterocyclic compounds	Trioxanes	Unclassified			38	0	M+FA-H	C9H18O3	-4.518572573	392.3813271	387.343003	439.6730709	272.9899754	188.4127246	799.6861996	336.6079378	1072.728782	713.0517172	599.6275669	411.0670144	680.160344	366.6893667	235.880813	266.3421008	133.9735157	340.2998657	314.4650633	194.0309123
4.20_203.0915m/z	203.0915356	4.204283333	neg	Isopropyl beta-D-glucoside	88639	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38	0	M-H2O-H	C9H18O6	-4.32915381	404.9674464	357.8371533	332.9472558	309.9767586	392.1677265	371.8901549	310.8006942	729.1058569	477.7090522	407.2928219	376.4177935	406.3126294	350.7752742	263.6794483	301.5435366	276.1878735	316.3682537	342.3618639	309.4064897
4.20_249.0699m/z	249.0698503	4.204283333	neg	Levamisole	HMDB0014986	Organoheterocyclic compounds	Imidazothiazoles	Unclassified		C07070	38	0	M+FA-H	C11H12N2S	-2.31276646	373.6259907	247.426169	304.5424935	0.000297236	473.5946653	366.7054901	0.000297236	1364.887262	1227.831886	224.2806103	48.10978184	640.9597013	68.95989337	47.61753693	34.82070175	121.0679147	24.48009365	154.7650938	73.33825965
4.42_347.1346m/z	347.1346424	4.4158	neg	Garcinia lactone dibutyl ester	HMDB0040462	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives			38	0	M+FA-H	C14H22O7	-0.375833314	338.0328738	494.2102289	505.83641	347.5685166	258.990592	162.7895486	330.3016655	1160.665817	856.1952262	181.3870123	328.1509069	558.0686701	371.0788142	175.3993361	228.4320057	255.4235491	204.5320513	305.0628361	319.8832552
4.47_696.3733m/z	696.3733045	4.470883333	pos	OKODiA-PG	LMGP20060030	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			38	8.76	M+NH4	C32H55O13P	2.138342364	3028.030621	4846.238211	4573.424922	5055.392312	5480.385244	4627.263986	3606.095714	4742.130836	4146.552446	5142.568398	5554.010408	3194.173247	1995.183808	3116.003273	4374.170379	5698.158367	2866.414821	5458.534386	5107.890227
4.56_261.0354m/z	261.0354082	4.5621	neg	Iminoaspartic acid	HMDB0001131	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives	**	C05840	38	0	2M-H	C4H5NO4	-3.933015117	377.9293664	326.2956827	314.0341949	95.74770218	297.7704383	257.5895759	141.9640484	3054.450055	510.0364697	172.5524796	46.07531733	211.5377672	139.4132722	106.9053964	237.2368255	98.18889009	146.0820192	121.7527071	109.7768529
4.70_215.1155n	216.1228224	4.696333333	pos	1-hydroxyoct-4-enoylglycine	HMDB0094734	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			38	0	"M+H, M+Na"	C10H17NO4	-0.985958648	3189.367564	3282.41671	3373.240304	1618.303906	4526.104918	2219.426742	1408.055548	10200.19951	5283.209637	2444.247906	1681.273681	1883.499716	2432.341303	2372.302091	2559.855506	1793.014281	2985.154624	1848.86506	2479.448914
4.73_227.0377m/z	227.0377204	4.73175	neg	{[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}sulfonic acid	HMDB0133620	Benzenoids	Benzene and substituted derivatives	Unclassified			38	0	M-H	C10H12O4S	-2.776044586	852.1602684	874.6327111	865.4402204	798.6555601	938.1884489	758.6148758	729.6925407	809.8164905	771.0704687	757.2561405	738.0493544	805.3227192	629.5140958	691.2528155	816.915028	589.7596865	721.5925779	824.6598837	628.7168301
4.93_212.0920m/z	212.0920034	4.9336	neg	"1-(3-Pyridinyl)-1,4-butanediol"	73244	Organoheterocyclic compounds	Pyridines and derivatives	Unclassified	**	C19582	38	0	M+FA-H	C9H13NO2	-4.955782575	211.3539245	327.5505513	285.021286	341.7861962	176.8545315	232.3702826	123.1503464	476.2847539	398.258563	197.3962998	200.3966238	426.4292645	164.4538845	140.6803592	276.7673172	267.8551259	168.0758476	421.7295841	364.4419665
5.40_205.1583m/z	205.1582987	5.399316667	pos	3-Benzyl-4-heptanone	HMDB0041482	Benzenoids	Benzene and substituted derivatives	Unclassified			38	0	M+H	C14H20O	-1.924951788	2892.217232	3071.468247	2896.036301	3069.823871	2895.148172	2968.853918	3128.251848	3050.993192	2979.938516	3427.05949	3172.788921	3314.609467	2930.057468	3095.899565	3479.860028	3202.761081	2518.897731	3133.40617	2985.150715
5.74_306.1253m/z	306.1253245	5.740583333	pos	"4-Piperidinemethanol, a,a-diphenyl-"	2771	Unclassified	Unclassified	Unclassified			38	0	M+K	C18H21NO	-0.553457957	3873.94812	4607.784759	4388.584007	2171.603904	2878.227444	6367.668788	2942.674881	869.9574805	3643.604429	3603.251358	2587.618613	2263.065176	2378.954067	2900.753143	18050.6151	2029.072438	3791.624819	6871.834181	2452.570429
6.02_196.0165m/z	196.016501	6.020833333	pos	3-Indoxyl phosphate	103478	Unclassified	Unclassified	Unclassified			38	0	M+H-H2O	C8H8NO4P	3.261933095	165528.7893	180536.3361	173852.5307	181191.5444	166971.6965	167979.4663	167783.5819	170504.608	165087.0862	166983.2344	169074.0152	190471.1412	189584.2366	191587.8953	193991.1618	195458.408	184071.1338	188727.9234	172862.5921
6.16_331.1397m/z	331.1396733	6.161383333	neg	"Nicotinamide, N-(2-hydroxyethyl)-"	1524	Unclassified	Unclassified	Unclassified			38	0	2M-H	C8H10N2O2	-4.532277697	508.3904111	770.3474136	529.9871526	201.3154015	335.6678422	265.5104957	358.9248136	2415.108274	1538.669037	251.2665984	335.5570842	424.0837603	288.6403935	223.0392172	407.1949292	45.90226743	202.6225758	179.3428478	291.6430332
6.64_599.2626m/z	599.2625797	6.640966667	neg	"1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne"	HMDB0030922	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		38	0	2M-H	C18H20O4	-4.10158272	5068.03156	4021.997459	4941.201468	667.6257576	2631.484992	3625.431141	1545.18184	2876.51809	9914.894004	3319.045404	1268.519958	2953.071128	1520.378873	750.9266501	31536.00133	1138.814419	2579.567918	7594.388979	1724.209132
6.64_735.2372m/z	735.237191	6.640966667	neg	trans-3-Hydroxycotinine glucuronide	HMDB0001204	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			38	0	2M-H	C16H20N2O8	0.728289379	1117.963052	923.0554233	1012.356667	160.8237349	828.1538847	1368.285959	400.0374144	789.9978028	3149.641616	583.5200315	198.2785299	786.2802558	0.000297236	0.000297236	9461.769133	162.957189	758.54047	1640.687237	299.4635818
7.09_139.0387m/z	139.0387383	7.09055	pos	4-Methylmuconolactone	66208	Unclassified	Unclassified	Unclassified			38	0	M+H-H2O	C7H8O4	-1.488123825	1257.445929	1155.81936	1133.92863	1067.191006	1048.410291	1196.11086	1153.017237	967.2091996	1124.63527	1264.004526	1222.647215	1167.245794	1045.130787	1146.130266	1243.638884	1172.179526	1240.085984	1082.434836	1013.497641
7.19_236.1618m/z	236.1617573	7.189233333	pos	Serylleucine	HMDB0029043	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		38	0	M+NH4	C9H18N2O4	5.843697309	13754.45805	11958.94802	13810.67143	13585.6394	11732.20883	12867.65377	13084.52137	12726.29719	13592.73549	13046.61682	14130.39573	13634.73704	14445.03747	14450.6421	13735.48474	14963.09095	15045.04937	14824.01776	14031.31451
7.75_421.2209m/z	421.220923	7.749183333	neg	Pramipexole	85379	Organic nitrogen compounds	Organonitrogen compounds	Amines			38	0	2M-H	C10H17N3S	-1.036662444	2718.75573	2425.746488	2608.508285	3100.65211	2160.791094	3846.589196	2310.995109	2116.26728	396.8249533	2286.911798	2186.818021	1579.610998	2318.689046	2736.974577	2363.286968	2026.407723	2677.806805	3515.896593	3104.651828
7.93_271.1879m/z	271.1878843	7.9295	pos	alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene)	HMDB0032181	Organic oxygen compounds	Organooxygen compounds	Ethers			38	0	M+Na	C13H28O4	-0.385994438	3405.884337	3116.875649	3275.575989	3561.376198	3175.982595	3356.796352	2830.111397	3631.489579	2772.925341	3289.424458	3482.47364	3184.50018	2975.651147	4198.221586	3346.083798	3812.197357	3481.654255	3449.716356	3220.43189
8.13_252.1590m/z	252.159024	8.1284	pos	α-Phenylcyclohexylglycolic acid	1688	Unclassified	Unclassified	Unclassified			38	0	M+NH4	C14H18O3	-1.691180169	2201.311697	2067.84261	2379.046292	2032.353319	2404.792656	3487.175083	2164.34429	1646.213817	1698.33972	2676.534957	2756.494019	2151.525547	2323.807212	3060.077586	2276.751633	1691.231077	2692.731319	2669.503289	2226.319667
8.77_251.0465m/z	251.046466	8.767316667	pos	Benzyl benzoate	1295	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	*	C12537	38	0	M+K	C14H12O2	-1.988201719	3726.258148	3012.943855	3445.206236	3211.713923	3476.45536	3541.441176	3588.086493	3563.325905	4573.532424	3453.244229	3860.424706	3372.153523	3347.296984	3246.581265	3110.346788	3674.709956	3345.593937	3205.048483	3390.268291
8.85_237.1480m/z	237.1479971	8.84785	pos	(+)-trans-C75	96547	Unclassified	Unclassified	Unclassified			38	0	M+H-H2O	C14H22O4	-2.061088532	1484.716453	1664.147023	1407.5652	1412.302206	1710.135134	2160.471267	1435.643421	1111.351747	1263.864706	2100.134335	1388.35788	1189.134949	1329.383686	1516.683087	1482.286836	1532.702928	1132.14907	1290.602771	1365.897796
8.89_325.2019m/z	325.2019054	8.8896	neg	Dihydropanaxacol	HMDB0032675	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		38	0	M+FA-H	C17H28O3	-0.507640643	742.2967864	1183.590262	1124.922507	442.6620292	546.8916204	399.8431057	445.3560863	370.0426847	628.609263	544.7249346	627.8707101	749.926804	598.9180527	567.3361216	507.5453658	731.821763	443.2375178	704.6455377	778.3049257
0.10_181.0856m/z	181.085604	0.10495	pos	2-Methyl-3'-hydroxyphenylpropionic acid	1517	Unclassified	Unclassified	Unclassified			37.9	0	M+H	C10H12O3	-1.758403341	4892.892962	5393.735234	4667.755066	5427.977968	4708.407713	6099.164875	5298.934032	5460.357896	5215.327188	5580.772463	5226.28331	5145.598577	5375.364168	5446.100691	5787.703991	5380.770409	5080.191046	5456.352302	5496.552701
0.16_283.2626m/z	283.2626097	0.158616667	pos	Petroselinic acid	HMDB0002080	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.9	0	M+H	C18H34O2	-1.938260911	15293.68665	15703.57719	15094.01617	14190.35778	14335.83436	16385.27082	13808.48728	15530.5729	13886.21224	14766.57245	13303.21926	15521.56096	15614.98315	14816.56956	16605.91714	16692.33479	15486.18326	17004.96727	15592.57952
0.25_348.1207m/z	348.1206511	0.24945	neg	Indoleacetyl glutamine	HMDB0013240	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.9	0	M+FA-H	C15H17N3O4	1.788649918	5766.202419	6025.826302	6011.289395	5706.017931	5824.336777	5763.585885	5882.71674	5965.028875	5892.955323	6373.285563	5632.425214	5844.543743	5769.48218	5762.939561	5806.854258	5650.331424	5159.511388	6027.438291	5465.002251
0.31_320.0893m/z	320.08934	0.308633333	neg	Vulgaxanthin-I	67071	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C08568	37.9	0	M-H2O-H	C14H17N3O7	1.566660994	8942.768391	10023.98026	8717.561353	8724.055116	9090.152784	8345.145589	9370.178088	9391.323711	9110.369031	9886.913165	8893.494294	9032.619035	9008.823368	9167.769565	9603.622428	8783.091577	8248.416757	8834.951164	8224.979918
0.35_277.1442m/z	277.1442258	0.352316667	neg	"1(10),11-Eremophiladiene-2,9-dione"	90703	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		37.9	0	M+FA-H	C15H20O2	-1.32204725	3603.669124	3010.448071	3113.169075	3275.55431	3390.874094	3043.384319	3493.098736	2990.691201	2861.478123	2979.152738	2965.704809	3171.219255	3165.170862	2882.08224	3256.945201	3326.385164	3019.697239	3520.702378	2626.780577
0.35_447.3464m/z	447.3463871	0.346016667	pos	Di-n-decyl phthalate	70111	Unclassified	Unclassified	Unclassified			37.9	0.878	M+H	C28H46O4	-1.118691787	78253.72857	60109.987	64328.6206	67820.30088	70320.32085	73981.08403	75133.31079	79613.97239	72847.40583	80860.97792	82883.13973	57336.31242	60150.94956	65976.74352	65445.74093	63011.62063	60911.27097	73041.3289	64329.10652
0.44_181.0857m/z	181.085675	0.439416667	pos	o-Methoxyhydrocinnamic acid	24105	Unclassified	Unclassified	Unclassified			37.9	0	M+H	C10H12O3	-1.364374121	5189.126685	4780.861246	4451.437902	4632.237135	4520.076457	5028.760874	4847.37503	5371.403676	4950.777613	5295.757147	5423.188139	4760.280092	4775.949192	4574.186393	4775.798435	4854.611433	4698.517485	5098.202173	4528.083599
0.44_225.2210m/z	225.2210112	0.439416667	pos	Methyl tetradecanoate	LMFA07010467	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.9	0	M+H-H2O	C15H30O2	-1.159175909	6111.288423	6203.107307	6766.06414	7013.361289	6312.246563	6956.268571	7149.285722	6235.38558	6392.039486	6180.312025	6565.995859	5680.948508	6465.920334	5838.104494	6567.449564	7633.828903	6538.573603	5974.330781	6399.429835
0.53_150.0548m/z	150.0547548	0.533033333	pos	Pyridoxal	HMDB0001545	Organoheterocyclic compounds	Pyridines and derivatives	Pyridine carboxaldehydes	***	C00250	37.9	0	M+H-H2O	C8H9NO3	-1.197856888	197.8032762	197.1404454	138.4366794	187.7735077	180.1240275	309.0063239	340.9267733	358.1769877	357.7598849	95.88245676	0.000297236	301.1502534	315.626817	287.6859987	162.8154252	250.5602973	356.3639974	174.7661105	371.3617609
0.57_187.0965m/z	187.0964521	0.572433333	pos	5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid	87332	Organoheterocyclic compounds	Lactones	Gamma butyrolactones	*		37.9	0	M+H	C9H14O4	-0.178693278	830.707148	685.4992621	689.8217049	1036.725208	470.8444896	1034.913216	540.5142033	1048.220293	985.0705676	754.1437099	1220.392572	722.1154378	687.1206077	696.1747268	453.2929464	639.5416505	775.2371786	556.674184	570.6584035
0.61_272.1602m/z	272.1602387	0.60835	pos	L-Pyridosine	86271	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	*		37.9	0	M+NH4	C12H18N2O4	-0.959812632	5634.679044	6732.376341	6049.25703	7450.878972	4899.376176	4361.145678	7070.528022	3465.164125	4603.958462	2972.004352	7642.87901	7835.579265	8200.316279	7098.55751	5797.848256	5043.850567	5500.879005	7256.272849	9126.880134
0.62_321.9744m/z	321.9744308	0.623133333	neg	Benodanil	72668	Unclassified	Unclassified	Unclassified			37.9	0	M-H	C13H10INO	3.081509699	1016.534565	1346.718483	1019.235293	1227.236618	1504.049893	811.1861672	658.473889	975.8420097	724.1933333	1259.001171	1149.229203	963.5076491	971.437894	850.5511355	892.4642704	784.1675602	885.9989053	620.0349466	1093.721541
0.63_198.0873m/z	198.0872733	0.62635	pos	N-Acetyl-L-Histidine	44784	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	*	C02997	37.9	0	M+H	C8H11N3O3	-0.225185816	3162.388163	4590.804125	4359.540137	3739.991988	3115.480226	2500.518701	4784.912023	2882.564623	4104.866875	3893.949201	4735.834132	3306.895968	5329.144379	5020.181343	8120.877243	6680.466303	4670.771867	3930.114303	4383.076694
0.64_283.0313m/z	283.0312894	0.641183333	neg	Nitrofurantoin	HMDB0014836	Organoheterocyclic compounds	Azolidines	Imidazolidines			37.9	0	M+FA-H	C8H6N4O5	-3.078433528	2682.583652	2327.153751	2998.817322	3402.195298	2152.176064	2185.753549	1956.219627	2304.019147	4991.100119	2698.167735	2180.240484	5688.135271	2464.30045	3250.321247	2556.218004	2742.737073	2332.815055	3874.33197	4113.958023
0.64_381.1621m/z	381.1621268	0.643516667	pos	Lactitol dihydrate	69591	Unclassified	Unclassified	Unclassified			37.9	0	M+H	C12H28O13	4.891298462	5477.057352	4200.147024	4048.170532	5064.152324	5072.627802	2802.776089	2885.67379	2914.466801	2029.30542	4481.981567	3811.1462	1342.679254	7419.96768	3311.269252	712.094352	4955.328623	5146.12226	4497.465586	8241.239215
0.64_445.0538m/z	445.05384	0.641183333	neg	Probenazole	72289	Unclassified	Unclassified	Unclassified			37.9	0	2M-H	C10H9NO3S	1.094335878	9598.060586	10009.63748	8360.717413	10551.85561	8825.541654	9640.597631	10333.41899	4737.084074	5750.840551	7172.123478	13427.16596	5318.198648	10267.96247	9572.402682	11624.30099	12189.35327	9937.886642	13772.01266	8598.198667
0.71_219.0733n	264.0722103	0.712816667	neg	N-Acetyl-D-mannosaminolactone	66042	Unclassified	Unclassified	Unclassified			37.9	0	"M-H, M+FA-H"	C8H13NO6	-4.453002479	56183.01869	54215.16352	55391.42872	68829.79511	49074.10098	77059.13041	35967.57229	43658.74015	54112.42914	68604.14768	59335.68347	66727.69865	51002.36024	47839.16221	62558.68481	66706.10117	51499.75756	76972.55852	59209.60928
0.71_295.1131m/z	295.1130765	0.712233333	pos	N-Glycosyl-L-asparagine	65973	Unclassified	Unclassified	Unclassified			37.9	0	M+H	C10H18N2O8	-1.752559172	28972.52202	28898.48987	29296.84184	30240.91857	24119.01167	20848.68673	28916.00439	26523.87491	25151.49501	28603.3385	26008.16578	34501.73073	25392.04869	38403.68245	19063.89856	29254.41328	27755.81523	30348.23911	37403.41469
0.73_190.1184m/z	190.1183845	0.729216667	pos	5-δ-Hydroxybutyl Hydantoin	44728	Unclassified	Unclassified	Unclassified			37.9	0	M+NH4	C7H12N2O3	-1.355792323	4500.36959	3531.689347	4688.386641	4739.889847	2514.981852	4886.719923	3759.875347	6907.073709	998.9967529	6292.906025	2954.844867	4407.726708	4560.453832	2866.940474	3255.555488	866.192341	3446.795903	3794.974225	4438.080874
0.73_250.0928m/z	250.0928384	0.7299	neg	N-Acetyl-D-fucosamine	70938	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C8H15NO5	-1.887202384	13744.57169	12186.49926	11715.0139	14522.07829	11350.00685	10924.54507	8456.337743	10701.97142	10822.31055	12516.84552	14862.85619	13065.30246	12823.01194	13648.11456	15998.97108	16129.2565	14275.18307	18095.43902	17024.99091
0.73_274.1045m/z	274.1044816	0.7299	neg	Asparaginyl-Proline	85654	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.9	0	M+FA-H	C9H15N3O4	0.09915836	12462.12328	11777.05573	11882.88782	10510.22862	15666.28476	10884.45664	15352.09845	9790.903962	9947.531713	16701.87277	14125.23215	8495.647207	10086.959	12359.64018	10882.58574	12915.54698	12213.99245	9515.559724	10469.5212
0.73_331.0546m/z	331.0546115	0.7299	neg	5'-Phosphoribosylglycinamide (GAR)	3411	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C7H15N2O8P	-0.676387851	4654.773674	5482.312298	4436.640544	3863.590495	6529.42742	353.0745189	5693.667823	2001.310261	2799.762953	5226.870366	2087.925475	4316.007874	4312.037565	6271.803036	5142.702919	5725.038284	5952.216263	3927.955542	6637.911652
0.75_213.0163m/z	213.016341	0.746966667	neg	1-Deoxy-D-xylulose 5-phosphate	HMDB0001213	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C11437	37.9	0	M-H	C5H11O7P	-2.905610823	2256.824323	1746.098043	2175.971077	1816.046441	1419.221258	3272.050311	1528.846349	1301.762937	950.8482194	2300.992202	1446.103574	1529.397245	2166.780472	2238.637499	1250.686227	1847.400548	1834.37609	1122.982143	1025.186481
0.75_255.0134m/z	255.0134124	0.746966667	neg	Glutinic acid	LMFA01170138	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.9	0	2M-H	C5H4O4	-4.798015179	17752.57338	17606.73869	18987.70345	22381.80469	22035.58124	12700.31633	18753.25694	37265.10622	19961.02496	11813.30958	13552.08733	24017.21407	14437.2735	16101.70345	15786.55942	14476.50956	15070.43221	14429.06943	19213.52131
0.75_318.0941m/z	318.0940506	0.746966667	neg	Tetrodotoxin	69159	Unclassified	Unclassified	Unclassified			37.9	0	M-H	C11H17N3O8	-0.744151777	16497.66201	15815.05692	15928.1878	18454.67886	15286.99532	19653.40185	17886.30414	9150.044392	9610.235446	21418.55091	16300.48234	16478.8944	17770.30801	14887.75183	18095.41311	18075.78731	21685.08933	15794.8862	21272.49684
0.76_444.0332m/z	444.0332096	0.764266667	neg	D-Gluconic acid Mn(II) salt	92165	Unclassified	Unclassified	Unclassified			37.9	0	M-H	C12H22MnO14	3.338131297	56530.46952	47065.66213	52438.94301	43017.53766	62484.47468	65917.95998	68609.3087	47850.63225	48845.27352	67880.61249	63779.28233	39962.93101	56612.28503	49333.1354	62823.97099	49243.39069	53804.71828	53117.5128	47596.77119
0.78_224.0762m/z	224.0762163	0.781033333	pos	Homoisocitrate	3341	Unclassified	Unclassified	Unclassified			37.9	0	M+NH4	C7H10O7	-1.271000401	7950.523886	6330.064689	4876.474649	5505.064854	7391.649997	5166.891144	6066.650922	5378.708088	4508.205786	5692.234394	6976.818629	5162.631977	5933.086136	6320.122204	8224.635052	6556.473927	6824.925894	5673.227724	5717.452955
0.80_168.0653m/z	168.0653349	0.798133333	pos	Phenylglyoxylic acid	HMDB0001587	Benzenoids	Benzene and substituted derivatives	Benzoyl derivatives	**	C02137	37.9	0	M+NH4	C8H6O3	-1.230990198	8509.779875	9156.774306	7282.539847	7463.543288	8534.871929	8877.007913	7246.052852	8806.613706	9792.429332	11178.0716	9257.841714	10692.75743	9057.035534	8145.341661	7538.391793	5789.122904	7440.920294	9024.715631	7028.141682
0.80_231.0981m/z	231.0980753	0.801	neg	Prolyl-Alanine	HMDB0029010	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.9	0	M+FA-H	C8H14N2O3	-3.062310322	3701.88427	3865.777493	3202.777621	2468.242736	5450.824697	2391.763463	5051.127318	1691.00102	1679.808762	4895.720785	2720.744394	1540.502011	5041.565853	5108.204584	4938.243676	5678.327021	4802.128986	2774.264869	4313.08459
0.80_333.0754m/z	333.075429	0.801	neg	"3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone"	LMPK12111993	Unclassified	Unclassified	Unclassified			37.9	0	M-H2O-H	C20H16O6	-4.027757647	2895.740656	1967.077948	2806.573383	3352.003043	1630.351423	2020.501027	2443.303076	1662.842288	990.9145962	2625.513665	2623.625805	2732.585936	4075.747256	4405.32988	3114.958902	3870.358287	4669.826019	1844.187995	4635.466328
0.85_104.0532m/z	104.0531696	0.850933333	pos	"2,3-Dihydrothiophene"	89584	Organoheterocyclic compounds	Dihydrothiophenes	Unclassified			37.9	0	M+NH4	C4H6S	3.753412384	32219.64764	31453.94782	31613.34103	33044.45046	30164.18078	31080.67494	27817.99853	26211.43751	22722.52981	30611.4285	28847.11853	32136.38803	33226.00846	31737.52786	34248.57799	32135.39326	32423.77757	33301.66208	39220.5769
0.85_249.0067m/z	249.0066527	0.850933333	pos	2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid	HMDB0125151	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			37.9	0	M+H	C8H8O7S	1.220352754	26998.84606	27087.40666	25476.0187	27532.44679	22609.00257	25354.21999	22611.17534	28450.12852	28515.06194	22447.33513	23610.17806	32340.44925	27952.4341	27719.19285	28307.98452	30666.34828	25226.43411	29670.96105	26772.83062
0.87_133.0647m/z	133.0646743	0.870166667	pos	"2,6-Dimethyl-4-hydroxybenzaldehyde"	265056	Unclassified	Unclassified	Unclassified			37.9	0	M+H-H2O	C9H10O2	-0.779826837	5295.241542	4238.028906	4644.443888	4141.55199	4499.939519	4796.06626	4182.711004	5696.940656	5802.098786	5639.237161	4689.205666	4683.381861	4379.935862	3991.926436	4037.854672	4496.104184	4144.402362	4564.652788	3859.120883
0.93_318.9985m/z	318.998494	0.929766667	pos	1-Methoxyspirobrassinin	HMDB0034303	Organoheterocyclic compounds	Indoles and derivatives	Unclassified			37.9	12.5	M+K	C12H12N2O2S2	4.700338385	5256.655122	5692.226131	6119.109586	5138.246412	5850.060385	7253.138701	4098.474168	4649.742797	5265.891842	6853.628118	4399.33703	4965.039752	6233.9958	5395.26609	6423.279277	7165.645471	5754.67714	5003.135598	5195.020036
0.94_404.0938m/z	404.0938203	0.937716667	neg	Cephaloglycin	HMDB0014827	Organoheterocyclic compounds	Lactams	Beta lactams		C13440	37.9	6.21	M-H	C18H19N3O6S	4.049323502	7399.454791	9246.793209	8139.031223	8434.584902	8659.64752	9191.26792	11315.64687	7849.077114	8259.345498	9352.369521	7738.180758	6814.901645	9974.900565	8803.523492	8191.273473	8851.096611	8792.140328	8430.464398	10344.28538
1.03_131.0855m/z	131.0855499	1.026666667	pos	Cuminaldehyde	HMDB0002214	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	**	C06577	37.9	0	M+H-H2O	C10H12O	0.156497932	461.5721153	495.7189038	349.1525299	537.7498267	400.3332913	435.9893934	422.9894479	410.6089231	349.4363903	249.6958931	354.29113	286.8677425	461.7680688	378.6494061	348.2390044	355.6974399	251.9613541	438.4296695	366.0259965
1.06_166.0862m/z	166.0861709	1.062216667	pos	2-amino-4'-hydroxy-Propiophenone	2018	Unclassified	Unclassified	Unclassified			37.9	0	M+H	C9H11NO2	-0.509684778	3309.483253	4239.293557	3716.127463	2791.564088	3514.647021	4297.858591	4276.92375	1972.532428	9871.610328	3367.342956	3410.741058	4952.824966	3441.582003	3070.150338	4660.607923	3931.732914	1277.399268	3494.784465	1807.809199
1.06_218.1384m/z	218.1384268	1.062216667	pos	"3,7-Dimethyl-2E-octene-1,8-dioic acid"	96876	Unclassified	Unclassified	Unclassified			37.9	0	M+NH4	C10H16O4	-1.288165733	20041.78018	19228.82796	17829.06486	10303.28783	21145.35778	12015.26326	15959.97138	37760.06387	31931.62088	17241.4876	10489.85926	7920.527582	13713.37974	11517.07795	19259.08836	19205.46828	13843.31888	5753.97207	14979.35423
1.06_295.0932m/z	295.0931705	1.063433333	neg	4-Nitrophenyl-3-ketovalidamine	66096	Unclassified	Unclassified	Unclassified			37.9	0	M-H	C13H16N2O6	-1.314909555	8958.766649	11135.90895	10602.18336	7620.908598	19186.8863	11698.68145	14721.84636	10425.23957	6734.171742	19679.95057	15846.28066	4292.949458	9815.047459	11036.44574	10081.03286	10082.83414	13539.84985	8829.803666	9743.380482
1.08_324.0755m/z	324.0755193	1.081483333	neg	Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer	88239	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C10H17NO6S	-1.224967957	12264.73095	10236.6256	9595.338394	10941.19928	8535.585152	35546.72236	6914.720487	24602.1232	25201.57794	16376.15173	8771.181557	11599.5551	7416.2456	5086.915612	5744.733387	6224.232904	5677.111437	6265.23783	5119.342701
1.16_249.0072m/z	249.0071647	1.1608	neg	O-methoxycatechol-O-sulphate	HMDB0060013	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			37.9	0	M+FA-H	C7H8O5S	-1.384839467	2697.386105	2596.500026	2417.409364	2491.631757	3349.817973	3174.986119	1928.509834	4625.782483	3508.136421	2315.693789	1417.058459	3226.971165	1688.265226	1818.024894	2034.753879	1489.3438	2063.209395	1627.505067	2657.786667
1.16_327.1661m/z	327.1660865	1.1594	pos	Tyrosyl-Glutamine	HMDB0029103	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.9	2.72	M+NH4	C14H19N3O5	-0.678562325	4009.645124	3931.259469	4836.043529	5439.735475	4307.703477	4058.608312	4893.420027	2397.557737	2129.371051	3965.882188	5302.718793	3239.683283	4903.827213	4678.908729	4840.742266	4670.414822	4581.320247	4457.103034	5119.439649
1.18_365.1023m/z	365.1022747	1.1797	neg	"4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone"	50709	Unclassified	Unclassified	Unclassified			37.9	0	M-H2O-H	C21H20O7	-2.04936629	1741.912909	1398.580064	1562.313688	1853.3692	1801.87068	1894.494738	1979.382008	1571.761364	1377.011841	1422.895054	1394.092403	1656.35503	2160.663482	1743.387947	1740.007614	1390.665735	1662.017406	2182.372367	2513.190393
1.18_390.0759m/z	390.0759487	1.1797	neg	"3,5-dimethyl PIT-1"	96441	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C16H15N3O4S	-1.684003066	638.9326591	778.8155771	1015.992218	874.5942152	957.8177573	864.8885616	597.8270885	1735.856485	1004.802263	446.6625215	667.9504253	1152.56225	717.5059983	656.093044	375.3900549	593.3196232	719.2096467	1258.991485	1435.867216
1.22_187.0964m/z	187.0964364	1.219283333	pos	cis-2-Carboxycyclohexyl-acetic acid	69806	Unclassified	Unclassified	Unclassified			37.9	0	M+H	C9H14O4	-0.263163277	1597.943756	1368.276057	1394.736389	1743.063203	1576.347398	1748.8315	1333.809477	1697.714262	2024.678096	1394.172567	1567.748993	1214.1591	1454.729174	1215.196578	1956.890635	1649.938878	802.9822035	1645.018321	1335.21927
1.26_480.9911m/z	480.9910559	1.259833333	neg	Fosthietan	72750	Unclassified	Unclassified	Unclassified			37.9	0	2M-H	C6H12NO3PS2	-1.890861233	18133.25259	14994.24132	13585.3277	20264.48664	7623.030019	14844.42589	15197.98257	19649.16206	18019.83011	9192.626991	15629.89796	13190.94578	13953.53474	8266.206547	14282.31422	14631.47699	12683.98016	16978.31256	12417.48118
1.26_655.1124m/z	655.1124265	1.259833333	neg	Adenosine thiamine diphosphate	85242	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides			37.9	0	M-H2O-H	C22H30N9O10P2S+	-1.319913507	26444.53424	26225.34513	28418.95418	26764.46296	28785.53277	29074.72215	35357.32836	18599.27918	21467.46547	29113.98791	25549.81349	7564.526226	28960.12177	25770.2599	32795.77403	30775.25439	22790.66047	27114.39702	28058.58075
1.28_343.0888m/z	343.0888066	1.278416667	neg	L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid	89846	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.9	0	2M-H	C6H8N2O4	-2.122729639	1950.892734	1460.369327	2260.399034	1431.821513	1827.025751	2471.239122	1486.935371	1400.983528	818.0872746	2118.215337	1573.380404	824.4395075	1426.711494	1976.745303	1710.677734	1572.320468	2515.769703	2024.185237	2205.716901
1.30_199.0771m/z	199.0770643	1.297066667	neg	Acenaphthene	73023	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C12H10	3.966460312	13952.03203	11774.5523	11912.40463	13810.71802	11713.58243	10753.02377	12168.27555	11255.8339	8954.598232	10401.87288	14450.728	12359.45147	12155.31769	11118.9174	11142.70435	13885.67514	12381.4816	15173.03092	12062.44314
1.38_215.0491m/z	215.0491044	1.37855	neg	Propylthiouracil	HMDB0014690	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives		C07569	37.9	0	M+FA-H	C7H10N2OS	-2.837065137	1171.248693	1039.233615	1109.354981	1173.376715	854.7007904	1136.944151	888.4401974	1370.425673	1126.39031	953.3431625	877.0189032	1198.519416	980.3661829	955.5667391	891.792459	933.5755328	1522.270619	1530.829939	1542.066666
1.42_576.2135m/z	576.2134862	1.417983333	pos	Zafirlukast	HMDB0014689	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides		C07206	37.9	13.2	M+H	C31H33N3O6S	-4.862577009	9577.971437	11721.0228	10760.70505	17068.9067	11928.06048	11575.33266	9994.3294	8092.663239	6691.3139	11898.89943	10320.38582	8161.921659	14862.4024	14022.59131	14239.84678	14228.47659	12730.32507	14901.71138	8898.186505
1.44_210.0764m/z	210.0764264	1.44135	neg	5-(3-Pyridyl)-2-hydroxytetrahydrofuran	73241	Organoheterocyclic compounds	Pyridines and derivatives	Unclassified	**	C19578	37.9	0	M+FA-H	C9H11NO2	-4.573731204	316.8314835	362.0745181	293.7463611	325.493318	263.1455874	152.5935401	566.5831803	58.91122717	219.0127354	203.2905881	484.1591787	696.0855133	240.7292192	275.1873692	263.7814667	236.6622043	332.0216368	357.5387244	248.5287666
1.48_383.0708m/z	383.07084	1.48375	neg	N-Nitrosothialdine	87478	Organoheterocyclic compounds	Azacyclic compounds	Dithiazinanes			37.9	0	2M-H	C6H12N2OS2	-0.243712267	461.1587683	561.0858734	587.3256111	612.250965	428.9282239	307.7270904	806.6957377	616.2993763	608.5142395	368.9095138	643.8477272	885.3992546	663.3354185	505.5914048	631.9644533	478.578854	574.5745032	561.3694275	663.0660395
1.57_201.1236m/z	201.1236273	1.5697	neg	Leu Ala	44685	Unclassified	Unclassified	Unclassified			37.9	0	M-H	C9H18N2O3	-4.149159655	273.4584906	263.6055505	308.6619682	186.3296851	454.3973111	244.7467141	403.8838129	61.13264349	51.16551806	380.2802725	220.3542271	130.8612751	410.0738574	413.4082616	334.4722897	361.0702501	372.3540891	218.2776752	302.7925845
1.95_439.0444m/z	439.0444088	1.949816667	neg	Imidazole acetol-phosphate	HMDB0012236	Organic acids and derivatives	Organic phosphoric acids and derivatives	Phosphate esters	**	C01267	37.9	0	2M-H	C6H9N2O5P	4.247608885	6975.981455	7800.941097	7432.96064	239.9682321	1591.854197	850.2637952	551.9108225	77566.66215	16815.62479	220.4986926	589.8180988	2505.198086	768.549469	779.9807393	161.3725421	420.9105511	389.0535811	710.5363949	670.344135
10.06_347.1838m/z	347.1838317	10.06331667	neg	"6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione"	70851	Unclassified	Unclassified	Unclassified			37.9	0	M-H2O-H	C21H28F2O3	2.789659913	13379.53051	11388.14452	12753.22541	22736.13326	7088.249121	19515.08283	9486.613155	11898.73026	4846.709471	9942.763539	12020.84853	10834.67067	8835.491068	11398.13629	14234.10718	13820.22466	18102.02127	23578.19459	17501.83566
10.06_408.2520m/z	408.2519759	10.06331667	neg	talinolol	96207	Benzenoids	Benzene and substituted derivatives	N-phenylureas			37.9	0	M+FA-H	C20H33N3O3	4.352695067	17765.05769	14065.14422	15863.58615	20610.58808	17642.63708	19630.85315	25357.21039	12850.45532	17880.96234	18308.99512	23088.55062	16370.3222	21609.3364	21700.95959	18947.65533	18483.56541	19109.9413	17225.03734	22854.65856
10.17_215.1645m/z	215.164464	10.16935	neg	Undecanal	HMDB0030941	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			37.9	0	M+FA-H	C11H22O	-4.72609225	1137.907919	859.3549333	928.8382646	1000.19971	1082.513481	864.514226	1067.397668	1050.346434	1112.602353	945.9676008	1084.772947	1112.736955	887.2044396	897.7464161	915.7309554	848.3164808	941.4118663	972.8290152	953.5587564
10.17_484.3045m/z	484.3045314	10.16935	neg	PC(O-12:0/O-1:0)	40186	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C21H46NO6P	0.122247918	871.6918573	932.4351771	965.4294739	1408.830174	1236.368367	1393.786705	1398.926172	144.3491244	416.149383	1047.85389	1450.742321	252.8213509	1760.616202	1552.562903	955.7781867	716.2545036	979.7439827	875.495806	1502.124614
10.25_527.2861m/z	527.2861463	10.25406667	neg	Subaphylline	HMDB0033463	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	**	C10497	37.9	0	2M-H	C14H20N2O3	-2.578644322	4297.885201	3457.26375	4182.911663	5558.184894	4628.022006	5565.184688	4882.499	1505.270673	1968.849837	4619.36284	5131.130278	1539.17312	5751.849106	5518.017612	4513.423825	4467.202562	6293.323302	5433.428987	6645.426764
10.30_158.1173m/z	158.1173284	10.29878333	pos	"2-Propyl-2,4-pentadienoic acid"	HMDB0060682	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C16656	37.9	0	M+NH4	C8H12O2	-1.619037705	2094.053862	1796.026007	2070.285941	1954.938738	1990.10788	2116.952898	1977.066045	1694.271487	1933.462225	2022.417771	2346.123882	2344.245669	2192.447668	1884.104196	2075.23602	2044.649614	1980.032168	2005.033873	1905.439441
10.38_278.1107m/z	278.1107138	10.38106667	pos	Norquetiapine	96331	Unclassified	Unclassified	Unclassified			37.9	0	M+H-H2O	C17H17N3S	-1.0725556	1314.36714	1618.672729	2143.413132	2065.625367	2269.74531	1908.281984	1546.637198	1115.897101	1627.379302	1765.829387	1352.781596	2097.952744	2953.904144	1803.964751	2983.577625	2897.076867	1683.25008	2173.181289	2765.925717
10.40_197.1533m/z	197.1533169	10.40266667	pos	alpha-Terpineol acetate	HMDB0032051	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*	C12300	37.9	0	M+H	C12H20O2	-1.475263743	8251.34	7069.072626	7168.532403	7618.63372	6957.851917	7801.368981	7462.451203	7438.0665	7751.922515	7175.36759	7045.245755	7495.669331	7527.015461	7618.494977	7603.251172	8076.100553	7566.783374	7250.698481	7636.730971
10.42_419.3151m/z	419.315136	10.42206667	pos	Varanic acid	HMDB0002195	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		37.9	0	M+H-H2O	C26H44O5	-1.031901498	6941.351773	5388.999442	6964.436061	6758.271503	6923.888911	7245.072043	7195.720656	7039.086337	6811.806333	6852.231112	8589.917467	6727.578064	7914.967643	7765.504536	6483.575477	6438.005615	5460.160403	7811.034596	8584.689841
10.46_291.2059m/z	291.205894	10.4628	pos	Linalyl anthranilate	HMDB0030433	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.9	0	M+NH4	C17H23NO2	-2.967045734	1233.13939	1302.55566	1247.412293	1191.74342	1060.207495	1241.989803	1599.174126	1197.943194	1247.121853	1395.518169	1330.912693	1095.933194	1132.788765	1359.668624	1283.378882	1731.30695	1530.33896	1847.806824	1315.599217
10.63_504.3439m/z	504.3439265	10.63191667	pos	Lyso-PAF C-16	24070	Unclassified	Unclassified	Unclassified			37.9	0	M+Na	C24H52NO6P	3.076318928	7375.800485	7617.738631	7395.635591	7529.555275	3932.075991	5521.607205	7550.164596	17914.41377	17039.71918	4175.66852	6968.358602	14924.65253	4509.608728	4235.789371	13142.12514	13957.23298	11720.4054	11845.61051	3593.009924
10.64_496.2679m/z	496.2679282	10.63623333	neg	PE(0:0/16:1(9Z))	LMGP02050037	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			37.9	0	M+FA-H	C21H42NO7P	-0.363472871	2146.444243	2472.228517	2635.68417	2729.923747	3670.634304	3016.694041	2255.758992	2361.540594	3004.1157	3531.228359	2976.852606	2873.6171	2870.19991	1740.46207	2030.481076	4324.633219	3150.754467	3638.997064	3448.276483
10.74_883.5368m/z	883.5367802	10.74271667	neg	Muzanzagenin	88556	Lipids and lipid-like molecules	Steroids and steroid derivatives	Oxosteroids	*		37.9	0	2M-H	C27H38O5	0.23512926	537429.995	508371.0629	458288.5521	478438.1489	498191.1308	557663.437	617584.6793	581572.0188	567038.358	544818.9793	594334.7209	324247.4521	678730.9736	652140.5156	677330.2783	668285.3996	578380.6101	541392.3775	491408.7922
10.87_504.2708m/z	504.270755	10.87058333	neg	BW A868C	45418	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C25H37N3O5	-1.674767096	43442.72526	31394.35928	35490.57964	40383.38645	42844.39121	40891.15787	44076.55149	38603.30054	46284.71065	36508.59938	43605.46508	42671.07188	50783.34977	47101.46804	39339.15025	39811.93404	38795.80926	40111.79443	39931.51826
10.90_307.2259m/z	307.2259461	10.90216667	pos	11-Hydroxyandrosterone	57820	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	*	C14606	37.9	0	M+H	C19H30O3	-2.694777674	1612.873942	1592.873859	1375.879121	2206.189061	233.8864568	1616.74584	831.4099985	2408.719703	1549.626591	231.7648176	2013.374247	3345.899897	771.2808617	240.4416245	1800.85454	1578.554556	999.2121863	4520.283689	2956.982019
11.04_357.2068m/z	357.2068259	11.04015	neg	Ethisterone	1923	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	*	C14487	37.9	0	M+FA-H	C21H28O2	-0.983761252	1855.752724	2856.0017	2468.436716	1209.119919	2011.969993	502.3925954	1707.454405	189.1938511	0.000297236	572.8103419	1798.188756	505.5287964	1203.460692	738.1093616	1107.323098	1838.389181	709.561816	670.2166689	1240.320301
11.05_398.2430n	399.2503038	11.04536667	pos	Tris(butoxyethyl)phosphate	70068	Unclassified	Unclassified	Unclassified			37.9	0	"M+H, M+Na"	C18H39O7P	-0.785480855	11459.76111	6939.947491	10586.92063	14031.18361	11711.86854	10521.23358	12358.13617	12674.49887	11591.84557	12880.95102	12923.68235	7639.594568	8672.367021	8344.442252	10169.34806	11289.66903	8952.331918	10730.28799	10127.44948
11.06_658.4186m/z	658.4185929	11.06195	neg	Argiotoxin 659	69745	Unclassified	Unclassified	Unclassified			37.9	0	M-H	C31H53N11O5	4.178686332	9228.705377	8738.670209	8875.601658	9691.758443	12304.23275	13964.20026	9026.029571	10684.24459	10338.04755	9353.923609	9041.200879	12837.47216	12257.98401	11649.72689	11266.85979	11328.66945	13046.83246	10402.06954	11317.99832
11.50_508.4353m/z	508.4352884	11.50115	pos	Aragusteroketal	LMST01110016	Lipids and lipid-like molecules	Sterol Lipids	Sterols			37.9	0	M+NH4	C31H54O4	-1.524026111	6969.621155	6211.638683	7168.799892	3416.880728	3923.318366	5530.105733	7316.422266	14650.73551	12466.91371	5041.665864	6072.996877	8685.434489	4714.074814	5006.819666	5117.61965	5475.13983	8306.637025	6464.215732	6381.326306
11.52_338.2682m/z	338.2681824	11.52178333	pos	"8,9-Epoxyeicosatrienoic acid"	HMDB0002232	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C14769	37.9	0	M+NH4	C20H32O3	-2.460798087	5753.040586	4516.255356	4663.374954	4438.333748	3648.868302	5659.746207	3262.046201	5297.348344	4328.896044	3906.036501	4437.072217	6807.89679	4227.586143	4930.000381	5912.588495	5750.99503	6832.723359	6855.414261	5152.244626
11.74_386.2369m/z	386.2368749	11.74108333	neg	N-linoleoyl taurine	LMFA08020138	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			37.9	0.0656	M-H	C20H37NO4S	-0.460433366	15149.60219	14800.32929	15194.79051	16261.30081	22035.06894	24283.65478	12837.78821	12980.18172	7646.710499	18105.89252	14501.17445	4235.657708	18808.95485	15952.1368	19270.304	19491.18621	17937.86277	19220.06125	19571.96608
11.97_533.2884m/z	533.2884218	11.97475	neg	Metoprolol acid	1254	Unclassified	Unclassified	Unclassified			37.9	0	2M-H	C14H21NO4	2.960674039	13341.47143	12895.95029	13581.83731	13800.88457	19821.77961	18822.60815	16601.35498	17015.35556	15664.30885	12352.72925	13966.40106	15104.37421	15102.92544	13655.47424	16382.24573	16664.22402	15300.18641	16035.07915	13074.23358
11.99_532.3730m/z	532.3730468	11.99223333	pos	PC(O-10:0/O-8:0)[U]	40183	Unclassified	Unclassified	Unclassified			37.9	0	M+Na	C26H56NO6P	-1.372320676	31041.78053	19213.24852	29092.1784	32409.94017	30655.50399	34134.49543	32333.46827	30258.10995	31752.99577	24893.86252	27914.51305	18120.42403	22620.85033	27341.73226	24546.59473	24979.01993	30566.80252	29417.63294	27824.90242
12.00_494.3253m/z	494.3252931	11.99595	neg	PC(0:0/16:0)[U]	40341	Unclassified	Unclassified	Unclassified			37.9	0	M-H	C24H50NO7P	0.161489887	3616.848157	3579.219409	4112.253643	5047.332999	3972.701618	3857.136746	4674.939093	3642.133546	3128.778588	3189.453886	2842.773943	5505.671155	4245.779725	3933.353511	3964.696485	4921.823763	5227.17901	4193.666606	3373.206971
12.02_620.3930m/z	620.3930496	12.01765	neg	"PC(22:2(13Z,16Z)/0:0)"	76577	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			37.9	0	M+FA-H	C30H58NO7P	-0.422555625	2612.410035	2967.1886	3746.432805	3549.296678	1416.419988	2325.134777	5435.625588	2632.960427	3501.194266	1996.988153	4191.998435	4602.799694	4133.937992	4555.992145	4719.773722	5769.646034	5234.108555	3761.475944	3275.993486
12.05_279.2312m/z	279.2312293	12.05466667	pos	Alpha-Linolenic acid	HMDB0001388	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	***	C06427	37.9	0	M+H	C18H30O2	-2.254816708	6809.996218	8085.060593	5663.400332	6189.4826	11200.73894	6488.118213	5372.02448	10588.59964	13889.7335	6433.91553	6369.410686	8515.037849	7949.011565	5460.218495	5725.465795	6127.232345	4842.649163	5353.094137	6858.377211
12.18_369.1837m/z	369.1836844	12.17966667	pos	"9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione"	70572	Unclassified	Unclassified	Unclassified			37.9	0	M+Na	C21H27FO3	0.11785961	10282.12183	8671.47462	10272.62113	8943.631461	15182.60224	7379.691972	8236.28759	12807.62661	15156.49103	7672.984179	9484.667672	12503.7213	13253.07868	9967.036521	8919.63684	7931.392901	7551.205917	7727.616724	11134.16685
12.54_401.1633m/z	401.1632949	12.54275	neg	BAY-41-8543	64714	Unclassified	Unclassified	Unclassified			37.9	0	M-H2O-H	C21H21FN8O	-2.616711417	8638.080538	8480.19382	8418.778934	9827.085256	10042.55203	10649.30651	8963.385926	9612.91232	12398.39774	9506.977171	9842.371457	13501.65015	14388.19221	10768.99341	10541.46953	9895.149399	10824.74236	10147.64199	9311.705098
12.94_325.2744m/z	325.2744455	12.9408	neg	"6,10,14-Trimethyl-2-methylenepentadecanal"	89973	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		37.9	0	M+FA-H	C19H36O	-1.331413403	1401.199684	1463.391793	1413.398246	1482.721272	1600.880217	2074.270364	1142.829949	1351.955165	869.9468158	1557.498411	992.3123151	1077.342173	1825.296751	1515.68444	1003.064834	2051.00036	1811.673087	1839.396156	1902.39193
13.10_165.9905m/z	165.9905398	13.10411667	pos	"2,3,6-Trihydroxypyridine"	63882	Unclassified	Unclassified	Unclassified			37.9	0	M+K	C5H5NO3	3.453601933	8385.07429	6513.013815	8201.447058	8515.016915	8067.191828	7070.179359	7540.910341	8738.959669	8368.022074	7907.342567	8329.742504	7086.355359	7663.31281	7252.469615	7910.985931	8727.686357	8389.650392	7603.547927	7970.501736
13.34_481.3320m/z	481.3320456	13.33746667	neg	Demethylphylloquinone	HMDB0004649	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	**	C13309	37.9	0	M+FA-H	C30H44O2	-0.659913335	1411.286658	1488.389638	1789.857727	1303.77979	6089.583996	1150.05185	7448.288589	3627.200758	2504.543601	4065.589211	1842.867469	1930.376362	2947.069084	3671.630834	1091.566075	1503.578191	1651.512539	1651.705336	2121.306251
13.42_387.0255m/z	387.0254828	13.42078333	neg	5-Fluorouridine monophosphate	HMDB0060397	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine ribonucleotides	**	C16634	37.9	2.49	M+FA-H	C9H12FN2O9P	2.441529534	70444.74419	69840.02167	67667.13937	69355.44657	67374.41814	67403.16635	74144.62916	67307.45273	69405.09894	73413.79255	72900.44332	61687.35739	57668.45596	63736.93178	66407.23282	72632.0193	66567.12312	67256.40241	64666.33078
13.46_292.2280m/z	292.2280233	13.46116667	neg	N-tetradecanoyl-L-Homoserine lactone	64716	Unclassified	Unclassified	Unclassified			37.9	0	M-H2O-H	C18H33NO3	-0.57676938	1179.486895	1373.88984	1488.316176	1328.815797	1674.850274	1177.040563	1383.04051	1293.020424	1928.486474	1801.181155	1226.29472	1451.231035	1651.218691	1585.742706	1589.270733	1403.366766	1338.740805	1446.920288	969.4775422
14.30_159.0060m/z	159.0060407	14.3008	neg	Sodium salicylate	66691	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids			37.9	0	M-H	C7H5NaO3	-2.007220188	77586.92752	77179.89463	76000.84098	77355.21866	75559.67879	78204.24364	80630.81474	80179.05277	80657.81957	79735.72331	83528.62115	72171.0744	72214.61937	74307.21688	79464.98788	80107.62242	77390.40501	81425.60148	74004.73709
14.30_420.9929m/z	420.9928612	14.3008	neg	2-Phosphinomethylmalate	63598	Unclassified	Unclassified	Unclassified			37.9	0	2M-H	C5H8O7P	-3.295668986	3238.295629	3231.687219	4485.289475	5348.644275	2072.819032	4173.159379	7029.293915	3792.113974	3308.037432	5306.222994	5707.791664	5982.789766	2010.898859	4243.219735	2350.417726	3393.073296	5449.301749	2079.573439	1146.708018
15.47_380.9982m/z	380.9981652	15.46928333	neg	"Octulose-1,8-bisphosphate"	157	Unclassified	Unclassified	Unclassified			37.9	0	M-H2O-H	C8H18O14P2	-2.930384845	3177.718921	3596.375573	3296.153572	2593.948968	3511.460252	2719.244167	2807.622236	3754.546025	3125.437278	4062.087985	3879.150006	2975.96268	3827.185798	3383.698363	3316.377724	3391.833012	2874.186786	4250.334756	2674.466172
15.78_163.0750m/z	163.0750442	15.77676667	pos	2-Phenylbutyrolactone	1824	Unclassified	Unclassified	Unclassified			37.9	0	M+H	C10H10O2	-1.923993252	10733.74178	10530.03146	10755.27671	11518.25645	11049.18689	10464.40897	11265.5797	10958.17901	11235.21946	10869.72434	11380.87614	10093.45893	10427.00294	11007.28742	9835.866819	10818.67244	10453.07498	11043.74509	9674.228411
15.87_122.0603m/z	122.0603257	15.87186667	pos	2-Pyridylacetaldehyde	1309	Unclassified	Unclassified	Unclassified			37.9	0	M+H	C7H7NO	2.357567627	4449.956249	4541.748903	4017.317786	4405.023525	4686.949872	4249.330379	4693.898334	4686.95232	4218.983645	4549.908446	4835.856206	4288.792101	4798.755304	4590.965495	4374.669157	4294.941852	4424.356526	4405.001407	3969.113794
2.05_861.2286m/z	861.2285997	2.054766667	neg	Syringetin 3-rutinoside-7-glucoside	LMPK12112490	Lipids and lipid-like molecules	Polyketides	Flavonoids			37.9	2.23	M+FA-H	C35H44O22	-2.482408831	15505.98688	20205.22298	18761.4641	19217.33098	17639.81212	14843.54725	20347.89982	14418.6809	15540.04157	17064.04982	20885.44537	15350.80177	20216.04363	19514.55329	20231.92992	17818.792	20039.63623	20392.74499	24995.42709
2.08_105.0702m/z	105.0701844	2.076766667	pos	Styrene	HMDB0034240	Benzenoids	Benzene and substituted derivatives	Styrenes	***	C19506	37.9	0	M+H	C8H8	2.956694864	9563.437837	8528.014773	8725.395126	9040.026422	7847.932764	8366.745294	9722.565618	9053.694109	8257.518404	9016.984792	9537.897299	8754.196237	7752.664448	8743.117969	8995.062034	8088.27012	8176.750819	8912.103597	8128.521386
2.14_394.1117m/z	394.1116955	2.140316667	neg	Voriconazole	66700	Benzenoids	Benzene and substituted derivatives	Phenylpropanes		C07622	37.9	0	M+FA-H	C16H14F3N5O	-4.445834699	10119.95504	10456.66767	10005.12595	11491.50496	10646.73515	8512.413298	9155.270855	16279.49151	16087.29155	9269.180039	10819.33982	14168.52361	8932.521725	10142.6344	9558.852271	9854.747946	8968.494888	9890.113211	10308.44544
2.47_187.0965m/z	187.0965272	2.469633333	pos	2-hydroxy-7-methyl-Octanedioic acid	LMFA01170136	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.9	0	M+H-H2O	C9H16O5	0.204888361	3985.406003	4027.200472	3833.701717	3999.389849	3822.385219	3683.725106	4008.100555	3958.346697	3379.832739	4024.11916	3992.996428	3876.038818	3616.738153	3940.769866	3902.52791	4164.292759	3782.898099	3772.891886	3783.433546
2.75_303.0808m/z	303.0807765	2.754933333	neg	Cystamine	55	Unclassified	Unclassified	Unclassified			37.9	0	2M-H	C4H12N2S2	-1.078261056	25220.75964	26006.82527	24457.25017	32863.11297	23816.48374	30055.58379	32652.25602	19397.11615	21131.64776	28712.15642	28467.69493	23245.90105	33898.20684	27330.41638	24116.72246	24223.26141	23365.53992	29660.66607	26627.51578
2.75_559.1203m/z	559.120343	2.754933333	neg	SULFAMONOMETHOXINE	43482	Unclassified	Unclassified	Unclassified			37.9	0	2M-H	C11H12N4O3S	2.850896115	2341.039239	2448.717587	2163.425978	3744.614866	2315.967121	3605.361455	2801.300327	1473.248499	2201.315262	2920.370194	2508.954665	2683.717725	4277.087351	2237.208835	2071.411852	1753.693345	2171.117025	3231.629069	2560.781906
2.92_186.0759m/z	186.0758794	2.92155	pos	"3,4-Dihydroxymandelaldehyde"	58374	Benzenoids	Benzene and substituted derivatives	Phenylacetaldehydes	**	C05577	37.9	0	M+NH4	C8H8O4	-1.219352543	1026.65778	796.9775979	1214.826777	1140.608684	943.4859125	944.576184	846.0757442	1122.298804	1084.085044	978.1683412	1114.157002	993.7078451	694.2571439	814.9267943	1156.217821	956.8730462	945.3108178	1206.605369	915.5531865
3.53_643.0723m/z	643.072274	3.534466667	neg	"UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronate"	73318	Unclassified	Unclassified	Unclassified			37.9	0	M-H2O-H	C19H28N4O18P2	4.126012925	10834.23078	9582.555854	10308.55653	9783.451538	9533.002044	9259.208092	10750.05337	8481.221962	7406.092877	11408.70552	10433.89132	9607.363396	10929.49723	10259.65769	11726.07842	11949.10692	12049.17173	12618.07876	10303.17499
3.54_204.0898m/z	204.0897697	3.538083333	pos	Immepip	71954	Unclassified	Unclassified	Unclassified			37.9	0	M+K	C9H15N3	0.085765865	2481.945252	2198.572301	3087.023486	1998.596222	2462.526269	2674.165472	2394.774224	1985.069506	1745.155091	2378.56234	2835.808522	1605.850715	2306.76967	2398.251952	2785.163087	2246.377751	2736.542809	2553.882077	3761.165552
3.64_557.0263m/z	557.0262955	3.640283333	neg	"6-({5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0128154	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			37.9	0	M-H	C21H18O16S	3.613431046	13893.70414	12442.56381	14285.93535	13023.3582	13696.46175	12517.01858	12772.38873	11688.71294	11827.10137	13505.0332	14142.51762	9649.164846	13281.02751	13871.59287	17010.59906	15521.58628	14307.43355	12653.61216	12511.88832
3.66_403.1121m/z	403.1121273	3.65935	neg	Penmacric acid	86267	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.9	0	2M-H	C7H10N2O5	3.615045458	2467.160037	2009.344835	3004.489288	3252.288631	1832.3752	2562.229156	1958.86271	1683.087909	1755.504114	2102.028005	2483.515704	2525.735893	2375.545145	2654.050289	3497.032146	3677.045053	2858.919795	4089.287973	3849.3911
3.98_123.0311m/z	123.0311349	3.976266667	neg	Dimethylsulfide	6603	Organosulfur compounds	Thioethers	Dialkylthioethers	**	C00580	37.9	0	2M-H	C2H6S	2.974128194	15.46825343	13.64094198	16.72127628	0.000297236	43.63188583	0.000297236	0.000297236	12.31591905	26.41926525	27.58131655	0.000297236	10.02254704	0.000297236	0.000297236	11.58405035	9.427411013	9.158738055	10.77793153	14.0668483
4.00_288.0523m/z	288.0523018	3.997416667	neg	Narciclasine	67049	Unclassified	Unclassified	Unclassified			37.9	0	M-H2O-H	C14H13NO7	3.06501066	5635.364341	5383.991477	5794.495818	5891.407838	5192.684441	7674.628052	5119.482456	5008.825947	4747.910785	6156.071569	4840.2126	6766.228756	5785.872821	5529.792738	6562.525813	4679.274011	6866.807199	5908.855724	9811.554471
4.14_372.2590m/z	372.2590189	4.140633333	pos	Sannamycin A	71872	Unclassified	Unclassified	Unclassified			37.9	0	M+H-H2O	C17H35N5O5	-3.884555541	7488.062728	5889.952859	7773.478146	8056.715381	7266.498155	7889.147952	7154.836183	5195.408162	4526.988199	6790.525448	9345.80533	5555.044868	6562.574638	8075.087642	7928.586934	7422.74169	8908.11982	8218.976168	9430.466224
4.39_269.1745m/z	269.1745367	4.3899	pos	"4,11,13,15-Tetrahydroridentin B"	HMDB0036150	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		37.9	0	M+H	C15H24O4	-0.741939945	1404.472106	1375.209404	1490.008555	1365.136896	1174.382897	3547.343712	996.5869217	1016.104076	962.0959523	2418.502798	1121.352549	1037.608644	1075.26896	1217.114003	1285.730202	985.4852271	1909.822499	1350.49903	966.3422478
4.54_237.0739m/z	237.0738785	4.5414	neg	S-Acetylthioethanolamine	65997	Unclassified	Unclassified	Unclassified			37.9	0	2M-H	C4H9NOS	0.777527336	156.7647034	228.5016427	132.4046242	0.000297236	56.12000534	57.55434612	0.000297236	1941.783336	210.826124	29.57735196	0.000297236	66.70193857	0.000297236	1.248550462	0.000297236	0.000297236	24.46988314	0.000297236	22.69165741
4.55_155.0701m/z	155.0700994	4.5538	pos	4-Octenedioic acid	5451	Unclassified	Unclassified	Unclassified			37.9	0	M+H-H2O	C8H12O4	-0.994754343	2525.968397	2476.929381	2243.729679	2382.381183	2375.114549	2348.796191	2121.422175	2888.965432	2897.019785	2440.571627	2536.411381	2441.364958	2314.264024	2140.916013	2487.256287	2284.559928	2432.037148	2386.913317	2246.502405
4.61_418.2082m/z	418.2081953	4.6053	neg	Bunazosin	1403	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C19H27N5O3	-3.744092647	1038.233294	1043.099689	1154.127325	1235.103612	519.2379567	75.24886718	1372.991852	961.4205499	1875.051783	205.645207	775.5481873	752.5514625	1970.245239	594.1903917	852.3772799	740.5884679	854.2689692	1371.977498	2988.221072
4.75_287.0859m/z	287.0858883	4.7531	neg	Fluconazole	HMDB0014342	Benzenoids	Benzene and substituted derivatives	Halobenzenes			37.9	0	M-H2O-H	C13H12F2N6O	-1.097842027	1831.848967	1706.664729	1682.227965	1846.044069	1709.571552	2622.356322	1695.471508	1718.275849	1214.986263	1791.434745	1401.8399	2057.886534	2082.508036	1604.942639	2305.382298	1340.072715	2054.870739	2010.127589	3683.443882
4.92_309.0526m/z	309.052585	4.92085	pos	"3-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one"	HMDB0130377	Phenylpropanoids and polyketides	Isoflavonoids	O-methylated isoflavonoids			37.9	1.39	M+K	C16H14O4	0.806944597	2166.420974	3049.288562	3041.721954	3643.251518	3059.167419	1703.81312	3441.656262	3607.264727	4137.523559	4140.833762	3261.375024	4874.937506	4427.952451	4417.713175	5252.087181	5432.903951	2289.911821	4151.613562	4401.672909
5.06_387.1661m/z	387.1660886	5.0602	neg	7-Epi-12-hydroxyjasmonic acid glucoside	95180	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		37.9	0	M-H	C18H28O9	0.083932732	646.6110377	741.6193452	751.1344422	490.9679941	940.9971953	495.7640425	416.5775762	1480.204957	1431.528814	552.8805819	536.8056284	1282.586598	722.7290314	799.2340426	763.5432388	508.7088929	604.024618	454.6157337	867.7276257
5.16_317.1928m/z	317.1927725	5.162883333	pos	Thiazinamium	HMDB0240235	Organoheterocyclic compounds	Benzothiazines	Phenothiazines			37.9	5.61	M+NH4	C18H23N2S+	2.514450853	7304.979898	9512.373972	9067.414382	4517.020432	8954.64644	5644.436841	8816.872723	10995.67865	6411.351849	6299.363019	6205.655316	7382.909414	6430.431882	10863.04018	7631.340973	9211.036704	7080.654062	5438.313229	9326.656252
5.18_237.1465m/z	237.1464756	5.1828	pos	4-keto lauric acid	LMFA01060039	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.9	0	M+Na	C12H22O3	1.682606146	3775.634585	3968.486549	3938.817023	3839.003113	3500.439265	3845.540045	4135.640375	3685.884577	3727.990446	3852.047371	4453.807545	3848.860208	4199.957662	4010.338417	4238.522217	4273.692352	4196.013878	4037.441867	3640.194012
5.20_131.0490m/z	131.0490227	5.202733333	pos	3-Isochromanone	44717	Unclassified	Unclassified	Unclassified			37.9	0	M+H-H2O	C9H8O2	-0.800675908	492.5381554	457.3958569	319.1368248	307.7206611	438.3832475	812.6954598	341.6118059	270.3126448	222.4798979	547.4626087	282.6880271	329.0525751	327.8591607	349.120555	588.4161141	407.3714521	438.6394399	304.1035753	340.3802226
5.50_229.1439m/z	229.1439353	5.501433333	neg	3-Hexenyl 2-methylbutyrate	HMDB0032320	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.9	0	M+FA-H	C11H20O2	-3.244608049	537.7200148	436.757468	601.7267151	488.3275744	455.6019203	927.309835	592.0048666	517.6684932	789.9052357	499.9567831	556.3958851	699.2305913	335.5310461	354.1072354	306.7995068	547.2621582	433.0674373	508.7358815	365.2345952
5.73_650.2594m/z	650.2593953	5.730166667	neg	Rifamycin Z	63722	Unclassified	Unclassified	Unclassified			37.9	0	M-H	C35H41NO11	-1.979851318	78896.24949	82464.14745	84003.2946	69733.93385	91092.42534	113343.7696	69680.25387	15646.10189	101290.5552	82811.91799	82926.10314	52879.52649	55332.00071	57387.65329	249089.3083	57021.36766	74315.00895	123919.4357	48865.06148
5.75_393.2647m/z	393.2646709	5.751466667	neg	Carbocyclic Thromboxane A2	45632	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C22H36O3	0.066051878	719.7361448	681.2293098	595.4368601	1379.237313	491.0836227	547.8614219	1275.237217	0.000297236	0.000297236	1602.775158	1159.147382	0.000297236	730.1461075	317.8032719	1642.824082	873.5964956	1111.911528	1731.964922	398.1616514
5.81_537.2341m/z	537.2340745	5.813733333	neg	"rac-5,6-Epoxy-retinoyl-beta-D-glucuronide"	HMDB0060123	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		37.9	0	M+FA-H	C26H36O9	-0.124178861	818.3184551	1309.555903	1211.732799	546.8152277	456.0554513	5241.062713	805.3506382	1432.79525	447.9891396	2264.208477	764.2255116	565.022755	645.1077803	872.2865487	860.4565868	600.3933244	1412.885498	1040.444137	354.5934031
6.10_190.0496m/z	190.0495507	6.101366667	pos	N-Acetylisatin	63543	Unclassified	Unclassified	Unclassified			37.9	0	M+H	C10H7NO3	-1.68632877	3549.960208	3414.388736	3397.47204	3850.731229	3389.393803	3550.593413	3656.281143	4008.884469	3476.945076	3748.456907	3790.815	3670.52527	3148.48134	3692.787505	3636.243189	3735.661264	3537.515344	3706.974876	3520.440036
6.31_314.1409m/z	314.1408672	6.3092	neg	Nefopam N-oxide	1483	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C17H19NO2	4.033045599	1007.911329	1335.849802	1055.27058	1146.854122	1349.0978	780.4044948	1021.103549	2186.545284	1519.13006	872.2549076	1492.812874	1408.315299	1079.249291	1494.360033	1610.920358	753.4448369	1215.597648	1026.502042	930.627008
6.32_183.1014m/z	183.1013558	6.321883333	pos	"Bis(2,3-epoxycyclopentyl)ether"	73056	Unclassified	Unclassified	Unclassified			37.9	0	M+H	C10H14O3	-1.180643561	3545.331261	3422.11004	3565.126049	3690.9515	3332.918536	3782.736763	3537.978443	3649.966764	3416.618515	3290.524712	3682.392179	3860.756495	3627.906092	3498.541151	3586.99098	3793.854276	3552.187139	3527.203639	3169.725754
6.58_213.0145m/z	213.0144866	6.582833333	neg	"1,2-Dinitrobenzene"	70273	Unclassified	Unclassified	Unclassified			37.9	0	M+FA-H	C6H4N2O4	-4.897659455	880.3577701	1002.707175	903.3596782	724.3087133	476.8924984	355.2394712	962.6767379	714.8454361	830.9434268	340.4327272	494.0326056	961.8898571	673.2681344	612.3789172	360.3323064	384.8960948	446.5377613	438.020459	810.5334186
7.05_152.0163m/z	152.0162549	7.049883333	pos	"Thiobenzamide S,S-dioxide"	71173	Unclassified	Unclassified	Unclassified			37.9	0	M+H-H2O	C7H7NO2S	-1.220438047	1929.83194	1734.455142	1974.381304	2011.433353	1676.704603	1775.915887	1751.478412	1629.747035	1765.912388	1789.061438	2101.364934	1437.632315	1659.603639	1510.810362	2052.158155	1734.196052	1789.008989	1546.770358	1690.887992
7.10_269.0853m/z	269.085254	7.103316667	neg	{[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxy}sulfonic acid	HMDB0132970	Benzenoids	Phenol ethers	Anisoles			37.9	0	M-H2O-H	C13H20O5S	-0.172379826	2219.536022	1939.405142	2020.417386	1927.179292	2144.448982	2055.084257	1775.670593	1568.93503	1928.716907	1817.753677	2155.34086	1760.454758	1351.493261	1712.823494	1599.262011	1462.868414	1798.613077	2013.742629	1787.820616
7.15_155.0701m/z	155.0700732	7.14945	pos	Diethyl fumarate	HMDB0038601	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.9	0	M+H-H2O	C8H12O4	-1.147415022	2785.141991	2124.391481	2208.840239	2273.845557	2266.408503	2332.294982	2460.098322	2197.537744	1972.294753	2195.878068	2354.378846	2175.845055	2305.271567	2271.880877	2353.155453	2396.312617	2981.998926	2274.544666	2170.645452
7.49_409.1762m/z	409.1762163	7.4858	neg	Oseltamivir phosphate	66812	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C08092	37.9	0	M-H	C16H31N2O8P	4.120557138	868.4358465	774.9911864	736.3818478	1140.504142	406.0947415	1050.758438	319.3301937	969.1949392	394.2556733	832.1677084	424.1869865	356.3859491	1856.286966	1131.120027	1062.192121	741.4879861	543.6819282	696.8520904	883.2371503
7.75_152.0162m/z	152.0162465	7.7503	pos	4-Thiocyanatophenol	HMDB0040578	Organosulfur compounds	Thioethers	Aryl thioethers			37.9	0	M+H	C7H5NOS	-1.422166713	3060.14959	2655.681144	2915.39827	3089.811796	2705.836324	3067.400688	2925.431093	2978.339377	3001.217374	3114.543399	3030.276733	2960.450417	2914.601012	2806.965202	3087.091015	3449.021426	3259.320377	3077.398333	3181.737454
8.19_531.2997m/z	531.2996889	8.185116667	neg	5β-Cyprinolsulfate	43184	Unclassified	Unclassified	Unclassified			37.9	0	M-H	C27H48O8S	-0.045451054	6772.564559	5768.288503	7157.952714	1788.397543	5289.552138	6685.294645	1562.730679	6725.178002	26914.04998	4901.689383	2163.810632	5953.105092	1144.506923	926.5876996	31143.28344	525.2282442	2654.91808	9343.265399	1491.567855
8.39_213.1488m/z	213.1488047	8.39255	neg	10-Undecen-2-one	LMFA12000157	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			37.9	0	M+FA-H	C11H20O	-4.837775612	736.1184274	607.0799768	811.503407	596.5398437	823.6691563	1314.489284	761.9762699	380.4797871	382.7376133	1071.717608	662.5721024	448.7466021	778.6880025	652.6901866	654.9464108	472.3300213	731.9333882	660.4872862	879.4452041
8.75_375.2290m/z	375.228965	8.752933333	neg	LPA(P-16:0e/0:0)	62005	Unclassified	Unclassified	Unclassified			37.9	0	M-H2O-H	C19H39O6P	-4.107835328	222.9728952	168.9253077	144.2112369	370.8255269	38.63283416	131.3328378	11.06616859	999.1474238	198.6669382	0.000297236	10.83126066	2635.227648	5.596020554	53.01579662	16.67972778	61.32274597	46.00345705	443.7637504	116.6108249
9.27_215.1645m/z	215.1644902	9.2672	neg	α-hydroxy lauric acid	35417	Unclassified	Unclassified	Unclassified			37.9	0	M-H	C12H24O3	-3.598750704	5415.827723	4621.438498	5152.603543	4748.120393	4828.131373	4700.032853	4369.628196	4682.63647	4679.875812	4746.375485	4443.288565	4335.104531	5266.794654	4519.936871	4772.660338	4824.263244	5054.240281	5368.509132	4700.652967
9.67_547.3334m/z	547.3333605	9.665583333	pos	2'-Apo-beta-carotenal	HMDB0035150	Lipids and lipid-like molecules	Prenol lipids	Sesquaterpenoids	*		37.9	5.75	M+K	C37H48O	-0.617097585	5017.708958	5215.37415	5221.842614	7165.858347	4564.603274	4497.310339	2469.350967	7669.949251	6734.551607	3328.240678	3356.654621	10303.39134	3054.182491	2891.604541	6370.334446	6587.113559	5447.171524	6266.421165	3987.94273
9.83_540.3311m/z	540.3311484	9.832916667	neg	PE(19:0/0:0)	77694	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			37.9	0	M+FA-H	C24H50NO7P	0.920592559	1058.076791	1737.507185	1747.954345	1992.620589	2667.319897	1637.445879	2096.353349	1349.504992	2069.527346	1926.473756	1666.116038	1308.282754	1851.12245	1965.118301	1835.470321	1549.564226	1444.812102	1507.612288	1802.656469
0.04_150.1023m/z	150.102301	0.04355	pos	Indoleamine	65657	Unclassified	Unclassified	Unclassified			37.8	0	M+NH4	C8H8N2	-2.065619874	13376.55086	9555.969614	10818.6173	11545.16459	9376.915573	10217.54223	12111.82394	14857.12819	12426.23515	10626.09509	10683.83869	9205.433733	10887.7636	10592.51754	10765.75491	10616.54568	10572.04977	12097.7551	9897.570833
0.06_371.3152m/z	371.3151852	0.06475	pos	Di(2-ethylhexyl) adipate	69902	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*	C14240	37.8	0	M+H	C22H42O4	-1.083110412	9327.022875	7937.950033	8809.856879	10601.2261	9711.702465	10811.59188	9120.510818	9156.011739	8677.972315	11609.65355	10307.9266	5998.449757	8265.189043	8419.452539	8425.984584	10231.49858	9372.406288	8616.833429	8991.768632
0.12_203.1428m/z	203.1427764	0.123416667	pos	3-Phenylpropyl isovalerate	HMDB0036389	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.8	0	M+H-H2O	C14H20O2	-1.204848907	1512.30916	1818.745777	1976.639372	2349.097434	2088.598904	2627.460269	2110.083691	2195.636308	2222.581152	2433.846795	2228.326278	1882.512448	1926.855557	2086.345717	2193.468594	2133.223237	1272.454683	2214.567296	2042.668493
0.23_200.1046n	201.1118895	0.231516667	pos	(±)-Camphoric acid	HMDB0034491	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives			37.8	0	"M+H-H2O, M+H"	C10H16O4	-1.124693297	106004.8208	89695.6208	96720.8934	95809.3646	92634.2807	101276.7356	97911.32501	101391.3603	94585.15915	98330.12955	105109.8217	86394.43898	88721.69457	87738.02152	95059.29375	96161.66019	90714.73006	99897.68052	89791.88327
0.31_225.2210m/z	225.2210195	0.30925	pos	Dodecyl propionate	HMDB0032250	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		37.8	0	M+H-H2O	C15H30O2	-1.124747026	5307.715811	4021.695224	3628.62978	4163.818829	3854.641763	4110.825314	3791.546136	3533.362672	4544.326716	4502.690118	3864.288227	4324.969514	3913.876495	3766.108662	4180.48242	4491.033624	4306.302051	3807.431357	3897.125454
0.33_251.0464m/z	251.046389	0.32715	pos	"(+)-cis-3,4-Dihydrophenanthrene-3,4-diol"	66187	Unclassified	Unclassified	Unclassified			37.8	0	M+K	C14H12O2	-2.35126559	40148.11137	33476.16833	36687.57269	37879.42985	37014.95144	38314.10371	39426.05326	40258.43378	37964.86924	41340.90655	42805.31367	33432.65248	34456.51481	35564.32697	37371.43585	36504.72627	35047.94612	38371.48485	34194.99101
0.33_306.0738m/z	306.073815	0.330533333	neg	NS-102	69665	Unclassified	Unclassified	Unclassified			37.8	0	M+FA-H	C12H11N3O4	2.513597074	7019.874464	7889.480459	6981.26311	6991.300204	7366.554212	6505.073567	7517.162058	7052.817135	7243.657669	7816.937261	7148.113707	7424.976478	6933.183853	7215.863644	6922.674304	7142.490623	6531.957079	7282.267118	6576.199749
0.38_223.1689m/z	223.1688699	0.3825	pos	Kobusone	HMDB0036790	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			37.8	0	M+H	C14H22O2	-1.73941381	28623.84736	29027.9311	26681.32368	28118.84346	26850.07759	28580.67772	28442.96355	30299.6295	27677.97062	30219.43925	29057.26859	28452.02535	27524.18174	27924.83314	29276.26604	27862.08027	27923.01284	29884.73798	26999.77784
0.41_156.0415m/z	156.0414837	0.413883333	neg	PROLI NONOate	62983	Unclassified	Unclassified	Unclassified			37.8	0	M-H2O-H	C5H9N3O4	0.108874763	736.6587526	499.1437346	546.0920971	602.2848775	619.8488862	436.9271387	644.4276532	572.8059126	508.8237357	617.580442	544.2894996	724.6566261	611.1975458	632.8013741	602.8608154	693.4933676	565.3326397	730.0269343	499.841219
0.62_485.1993m/z	485.19932	0.623133333	neg	Biotin amide	6255	Organoheterocyclic compounds	Biotin and derivatives	Unclassified		C01893	37.8	0	2M-H	C10H17N3O2S	-3.494712986	2013.387923	2210.903081	1838.307037	3865.369687	2688.088928	1829.970034	3244.785147	1104.302766	2194.219762	1438.678369	2733.395293	4942.232563	2895.153064	2842.056314	2680.125805	2567.688418	2594.459504	2267.094906	2585.269235
0.68_229.0224m/z	229.0223762	0.677333333	neg	5-Hydroxyisourate	HMDB0030097	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	**	C11821	37.8	0	M+FA-H	C5H4N4O4	4.992117883	20858.25031	13648.37099	16730.49612	15320.0883	15184.75286	13311.79552	14029.63519	19852.81527	19348.54049	20211.02282	14351.54234	14958.4049	17072.06065	21512.85536	9939.864755	17566.9202	13503.65237	21645.18856	25501.15245
0.68_232.9588m/z	232.958754	0.677733333	pos	3-thiodimethylarsenopropanoic acid	LMFA00000040	Lipids and lipid-like molecules	Fatty Acyls	Other Fatty Acyls			37.8	0	M+Na	C5H11AsO2S	-0.184470497	4249.351561	5578.3897	5883.380047	1213.329767	13312.1116	3314.060521	11124.1748	0.000297236	2252.531649	9164.481964	4267.934259	521.1861249	6142.863876	6016.617816	7105.689379	3362.619766	5116.042853	1394.715768	5186.927026
0.70_231.0642m/z	231.0642153	0.695266667	pos	"1,9-Nonanedithiol"	HMDB0031710	Organosulfur compounds	Thiols	Alkylthiols			37.8	0	M+K	C9H20S2	2.158095009	80699.75821	86199.61277	72770.05607	82946.15458	82503.25757	77009.59785	68465.87538	107225.9656	83192.00025	72970.35204	79543.79137	96364.50535	61000.06576	94303.77528	58193.44078	78742.24288	67973.71833	86363.48392	69902.27637
0.71_104.0716m/z	104.071558	0.712233333	pos	gamma-Aminobutyric acid	HMDB0000112	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00334	37.8	0	M+H	C4H9NO2	9.246651908	64417.71851	63421.32315	63543.82117	52788.41009	39435.68512	66390.8294	34653.88987	146240.6034	100257.0405	47650.71528	45790.68057	137866.4763	53829.69599	56956.35108	42276.51961	60719.97852	40626.39929	63695.85705	67248.38861
0.71_209.0294m/z	209.0293949	0.712816667	neg	Glucaric acid	HMDB0000663	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00818	37.8	0	M-H	C6H10O8	-4.265680514	25893.83018	36426.20396	33978.19584	36667.26541	36944.52534	27519.35497	31105.46062	25355.66124	24555.96581	35307.67624	35348.75212	52043.6003	24358.12481	26231.41493	30783.32888	33664.49996	30338.33606	34542.86785	26344.80863
0.71_235.0922m/z	235.0921607	0.712233333	pos	2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	63868	Unclassified	Unclassified	Unclassified			37.8	0	M+NH4	C8H11NO6	-1.391055817	27502.46789	27387.41121	26505.60763	18362.16915	35848.37379	20919.22295	31127.94304	23544.24945	23673.23283	34962.17903	25105.01362	22758.18215	29744.89058	33508.18781	32585.97237	30941.75279	30106.81552	20540.62532	30746.57879
0.71_245.0800m/z	245.080007	0.712233333	pos	(S)-Rutaretin	HMDB0030882	Phenylpropanoids and polyketides	Coumarins and derivatives	Furanocoumarins			37.8	4.22	M+H-H2O	C14H14O5	-3.160393702	92765.59646	91972.94718	101163.7211	100321.6346	102131.808	96087.86535	95298.03234	136013.4605	91070.36857	90609.0641	87853.48839	130863.9181	84809.92276	107957.3185	87426.68968	100653.8243	96102.10719	110888.5428	107772.5307
0.73_152.0471m/z	152.0470553	0.7299	neg	Metronidazole	573	Organoheterocyclic compounds	Azoles	Imidazoles		C07203	37.8	0	M-H2O-H	C6H9N3O3	2.95388335	8032.487255	9000.73813	9805.823242	6749.948944	12050.30382	13501.89359	9079.688619	10988.234	9961.839373	11468.30321	8106.097571	5749.725669	7442.637498	6980.823044	9564.747906	7626.552481	10713.53495	6586.209044	5915.712969
0.75_176.1391m/z	176.1390743	0.7465	pos	Carboxynorspermidine	63486	Unclassified	Unclassified	Unclassified			37.8	0	M+H	C7H17N3O2	-1.592885231	8122.015463	6039.179093	5488.487381	15916.85733	2214.294657	5826.013976	2323.667548	7463.48055	7062.7714	2916.075932	6158.617926	12055.09591	2651.154741	3066.315635	4287.472719	7745.715046	5508.624545	20081.67679	8975.849906
0.75_199.0369m/z	199.036875	0.746966667	neg	Sodium (±)-2-(4-methoxyphenoxy)propionate	94786	Unclassified	Unclassified	Unclassified			37.8	0	M-H2O-H	C10H11NaO4	-3.609311727	23798.59807	22342.63599	24282.46495	14725.3336	25128.09906	28875.12103	15207.0806	24518.98145	27069.02705	30973.57323	14773.09185	23801.14793	38808.86003	33254.60498	20138.3356	14732.37833	24936.41628	17995.67396	26971.9824
0.75_258.0562m/z	258.0561591	0.746966667	neg	PPM-18	64815	Unclassified	Unclassified	Unclassified			37.8	0	M-H2O-H	C17H11NO3	0.386210953	153005.4621	138135.7037	154116.4528	143877.8493	125145.5635	144157.028	144550.8229	136903.3965	150765.3785	157660.1973	145196.9027	140349.1422	165659.1469	169078.1596	156555.8136	145087.6512	167172.6274	177187.4536	186180.0235
0.75_394.2219m/z	394.2218835	0.7465	pos	"11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide"	88046	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		37.8	0	M+NH4	C21H28O6	-1.410590635	19821.91777	16350.63524	17314.83465	17428.11903	19355.04653	9598.6518	14206.858	15033.02384	13464.76943	13328.06991	16131.90451	18199.60552	12194.68858	15920.75528	13516.24847	16749.56923	17671.35767	17785.07705	19805.88267
0.78_205.0345m/z	205.0344841	0.781716667	neg	2-Methylcitric acid	HMDB0000379	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives			37.8	0	M-H	C7H10O7	-4.329898625	8242.781479	10854.81453	9102.530556	7474.514819	10050.08234	6139.266949	10357.04051	6066.052277	5712.009546	8764.607144	9027.010362	5732.557697	8307.179952	7298.280102	8299.214257	8204.578168	7788.493843	7142.432563	7208.095984
0.82_119.0895m/z	119.0894787	0.816033333	pos	Diisopropyl sulfide	HMDB0029579	Organosulfur compounds	Thioethers	Dialkylthioethers			37.8	5.59	M+H	C6H14S	4.918899584	367082.2094	387756.6923	368249.0627	356264.2847	419647.2437	426214.0385	353575.4662	380487.6837	347547.3404	407800.1	325585.2449	372375.3706	378144.3835	371158.4569	399777.089	368761.0117	401503.6125	345857.8511	380800.6397
0.86_203.0177m/z	203.0177491	0.85685	neg	"S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate"	HMDB0039585	Organoheterocyclic compounds	Furans	Furoic acid and derivatives			37.8	4.26	M-H2O-H	C11H10O3S	2.364852508	25970.70379	29019.59846	29000.81944	30176.00229	26426.10689	28069.77286	29818.32734	32410.3177	27559.77321	28931.96371	31558.20978	28149.86459	27067.20411	26787.09955	28404.26704	31577.70443	30096.64356	30538.90832	26394.22548
0.86_271.0684m/z	271.0684424	0.85685	neg	1-Pentanesulfenothioic acid	87453	Organosulfur compounds	Sulfenyl compounds	Unclassified			37.8	0	2M-H	C5H12S2	-1.345090056	2220.776101	1887.773244	2209.262826	2499.200693	2445.382026	1666.352851	966.9309207	4255.470439	2770.224867	1437.882804	1634.322327	4158.313578	2084.74108	1445.266767	890.2944451	950.9660974	1581.599232	2074.213985	2868.32021
0.88_395.0956m/z	395.0956379	0.877566667	neg	Vanillylmandelic acid	HMDB0000291	Benzenoids	Phenols	Methoxyphenols	***	C05584	37.8	0	2M-H	C9H10O5	-6.898531233	17210.8859	14086.69016	14014.33647	16174.62518	14734.50048	11789.10403	10031.37103	17314.0791	18788.61859	12926.02924	12495.48143	19623.49793	12260.40728	8936.911001	11506.96398	9300.562257	10982.25563	13502.77113	20745.90095
0.93_322.0770m/z	322.0769681	0.929766667	pos	8-hydroxy Guanosine	44820	Unclassified	Unclassified	Unclassified	***		37.8	0	M+Na	C10H13N5O6	3.892641713	5263.504693	4001.368666	4947.173233	2391.401886	2486.125803	1117.030362	3107.549008	13596.10935	15724.92609	870.4066546	3551.166524	12622.09077	2962.31472	2833.626503	2438.902629	1593.434561	2804.5862	2897.428493	3585.857876
0.95_282.1004m/z	282.1004103	0.94875	pos	Frovatriptan	85456	Organoheterocyclic compounds	Indoles and derivatives	Carbazoles			37.8	0	M+K	C14H17N3O	0.370258153	6449.110768	6961.812392	6204.564369	6980.859672	4196.925799	9662.478672	5537.985937	8070.494646	7061.51817	6478.051812	5771.169954	4491.565821	5766.58186	5057.751753	5745.499315	5456.627041	6505.288414	6862.88797	5891.125062
1.03_327.0679m/z	327.0678544	1.026666667	pos	Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate	66858	Unclassified	Unclassified	Unclassified			37.8	0	M+H-H2O	C12H17NaO10	-2.320228331	5737.917896	6415.978398	7183.690956	8033.168245	10516.52314	6637.615345	5247.663225	6475.373201	4866.355095	6390.809879	4944.685021	5297.870595	4582.47613	6268.007286	11895.11441	6815.754144	6884.405704	5235.351455	5290.201228
1.06_294.1180m/z	294.1179898	1.062216667	pos	4-Hydroxyproline galactoside	86215	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		37.8	0	M+H	C11H19NO8	-1.205122201	32615.40655	39614.22688	36007.3526	40816.84803	31101.31953	93565.3749	18666.34612	53873.58203	63893.43563	41333.04885	30918.62546	43997.05197	27845.57052	16135.72427	25343.96628	36866.64226	20404.21847	22571.38234	19697.56449
1.10_367.0009m/z	367.0008969	1.098716667	neg	3-(sulfooxy)butanoic acid	HMDB0130131	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.8	0	2M-H	C4H8O6S	-0.392963416	2421.444997	1635.166068	3028.303642	1067.22734	1716.478666	2724.042302	4495.645002	2263.895068	2098.93672	1491.646558	1022.431593	1720.027414	5837.085155	1471.733206	1706.33134	3700.623675	1516.789156	1953.19008	3264.927451
1.10_563.1234m/z	563.1233587	1.098716667	neg	N-(p-Nitrobenzyl)phthalimide	69924	Unclassified	Unclassified	Unclassified			37.8	0	2M-H	C15H10N2O4	4.469673157	4057.839334	3070.484663	3210.221186	714.3527342	3555.641544	2917.994541	5333.976775	594.8950471	0.000297236	1737.138427	1635.695968	1957.358525	2729.756733	2625.909599	3388.03201	4482.880463	3815.147854	170.4699333	1502.29547
1.12_211.1080m/z	211.1080422	1.118516667	neg	butabarbital	3940	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives		C07827	37.8	0	M-H	C10H16N2O3	-3.647982423	2758.905101	2982.310407	2472.988581	2171.982606	3386.803392	3832.655062	2539.135211	3248.955643	1961.264103	4501.162941	3200.506418	1706.283547	2099.338283	2420.906876	2830.37785	2850.033094	2898.925286	2884.682288	2783.409311
1.12_347.0592m/z	347.0591557	1.118516667	neg	"3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate"	71219	Unclassified	Unclassified	Unclassified			37.8	0	2M-H	C7H7FO4	2.178684674	829.1706994	780.6290769	462.8206854	253.7684139	649.9148351	424.8198671	1569.939542	734.5869999	666.788641	818.3975796	788.4402572	863.7259358	787.707135	565.8641749	544.6110901	676.9400369	607.419741	438.6969552	731.2826857
1.12_410.1069m/z	410.10687	1.118516667	neg	4-Hydroxyvoriconazole	HMDB0060894	Benzenoids	Benzene and substituted derivatives	Phenylpropanes			37.8	0	M+FA-H	C16H14F3N5O2	-3.539248805	729.8992015	964.7589037	1109.410461	919.2316046	736.2299883	686.3935487	676.7651675	1145.954267	1266.703345	587.8474022	1243.611268	1315.562273	766.8683353	1363.384176	862.4162418	1229.185622	780.7637867	1060.084078	1223.006402
1.14_218.0901n	241.0793924	1.13905	pos	Alanyl-Glutamic acid	HMDB0028686	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.8	0	"M+H, M+Na"	C8H14N2O5	-0.644593007	1346.536232	1452.13964	1209.274671	282.8364764	484.5518576	510.9301276	406.5421708	7991.10396	7398.738381	536.7182758	0.000297236	5208.761544	359.0034689	266.0626092	192.3021089	0.000297236	440.7657775	104.248556	92.26583793
1.18_547.3294m/z	547.3294241	1.1797	neg	Medicagenic acid	LMPR0106150034	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	*		37.8	0	M+FA-H	C30H46O6	3.547578773	43871.29115	45954.01654	44179.09089	39258.45822	45069.17342	42379.57546	51263.48226	37379.03808	35799.97873	39205.65784	43850.88376	41695.24976	54586.86334	46746.6201	47408.9391	48357.37241	47082.03588	58685.4417	54924.57941
1.18_871.2222m/z	871.2222059	1.1797	neg	"9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one"	LMPK12020082	Unclassified	Unclassified	Unclassified			37.8	0	2M-H	C24H20O8	-2.468181045	2758.547195	2124.736278	1614.247116	3408.608886	3213.260429	1725.825186	2058.41462	657.7098834	1298.42038	1667.856298	2180.806169	1467.924684	2863.684385	2832.817499	1948.544846	3448.848533	2377.281335	1657.467828	2233.19157
1.22_310.9957m/z	310.9956691	1.219283333	pos	QUINALIZARIN	43515	Unclassified	Unclassified	Unclassified			37.8	0	M+K	C14H8O6	1.55524856	4597.752323	5265.719735	4571.359425	7035.738588	11360.69078	2231.492166	3802.46796	3722.210076	1693.101281	3416.866864	4165.387834	6051.429495	4784.756131	4605.294429	4447.556203	5911.91068	3803.617781	7171.916771	4174.729407
1.30_358.1618m/z	358.1618209	1.297066667	neg	Etoxazole	72301	Unclassified	Unclassified	Unclassified			37.8	0	M-H	C21H23F2NO2	-1.637276073	41049.24918	51076.93321	47303.17282	47393.9426	28736.61146	30960.31289	44078.76965	44322.50513	52033.56634	26877.69201	47684.16123	78229.96479	49708.07867	54047.93828	36507.51052	39964.00591	37712.04103	42338.81623	74420.12244
1.32_481.0641m/z	481.0641289	1.317533333	neg	"6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.0?,?.0??,??]tricosa-4,6,8,10,12,14-hexaene-3,16-dione"	HMDB0133388	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins			37.8	0	M-H	C20H18O14	3.630354616	4277.244364	3397.588323	3138.531665	2377.546214	3385.728965	809.3425376	2229.095509	5968.020647	5255.965552	1764.957839	2568.132981	4071.376159	2954.453053	3108.969015	3471.29231	3421.820953	2543.123114	3092.895503	2833.272717
1.34_245.0429m/z	245.0428599	1.336933333	neg	Potassium 2-(1'-ethoxy) ethoxypropanoate	92159	Unclassified	Unclassified	Unclassified			37.8	0	M+FA-H	C7H13KO4	-2.167101599	409.7963683	390.9901609	338.2311114	0.000297236	426.7922448	0.000297236	0.000297236	2423.931833	665.8885802	0.000297236	87.09379527	534.9640314	248.2062009	362.963244	370.1106638	220.9279483	252.6782053	160.4112156	401.4719023
1.34_518.1198m/z	518.1198212	1.336933333	neg	CMP-N-trimethyl-2-aminoethylphosphonate	HMDB0060072	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C05674	37.8	0	M+FA-H	C14H27N4O10P2+	2.910453344	1990.027464	1256.49179	2310.674836	230.4801108	2375.250174	342.9434209	502.0850301	4459.044399	1169.553387	536.933259	578.4658055	2201.267564	1528.695866	2815.227225	2264.236244	1418.765996	1020.409906	618.4230073	2244.207045
1.46_204.0864m/z	204.0863821	1.457516667	pos	Erinapyrone C	95460	Organoheterocyclic compounds	Pyrans	Pyranones and derivatives			37.8	0	M+NH4	C8H10O5	-1.434075914	1052.421984	611.4346275	972.8522592	1153.469762	760.8606295	930.861786	1036.137695	944.5268337	899.9331162	994.6538522	999.0766988	1226.408242	822.2337431	851.4347494	1003.766647	767.1488778	894.2155092	1053.092944	1128.547972
1.65_322.1065m/z	322.1064966	1.651983333	pos	gamma-L-Glutamyl-L-cysteinyl-beta-alanine	66204	Unclassified	Unclassified	Unclassified			37.8	0	M+H	C11H19N3O6S	-0.73556182	1513.931468	1858.07785	1622.884876	1545.499376	1881.566575	4532.912148	1566.128914	523.5653137	409.2673069	4008.583463	1062.209132	1515.974303	1226.048952	1163.097171	1400.912441	1211.063191	1564.480268	1703.20509	1011.403344
10.11_497.0053m/z	497.0052962	10.10533333	neg	CAY10563	45276	Unclassified	Unclassified	Unclassified			37.8	0	2M-H	C9H6F3NO2S	-3.40464976	9614.958819	9308.018351	8831.288708	9421.17505	8213.802224	9480.296547	9619.746211	10209.10176	9157.206481	11378.97317	9450.493408	10410.80186	8329.76617	9241.371897	9466.132649	10325.01954	8569.242225	10722.36346	8828.487292
10.11_617.2733m/z	617.2732888	10.10533333	neg	SB 218655	69961	Unclassified	Unclassified	Unclassified			37.8	0	2M-H	C17H16FN5	4.233936106	8991.09674	8748.110187	8599.422628	8369.213923	11130.76706	9189.351867	10029.22043	1008.174344	1380.027006	10123.91071	11334.48745	2549.917276	21335.87448	22724.5543	8557.631084	7872.466269	6835.036279	9068.085148	19659.78931
10.19_406.2728m/z	406.2728099	10.19105	neg	PC(O-6:0/O-6:0)[U]	40251	Unclassified	Unclassified	Unclassified			37.8	0	M-H2O-H	C20H44NO6P	0.061772772	1138.606742	919.2182574	1027.366168	1741.771588	1204.536683	1787.300861	1745.869705	62.20055234	433.4898907	1571.419656	1814.154787	1090.675837	1241.984897	1406.358045	1054.808124	1302.79651	1476.596008	1655.027443	1140.514534
10.26_136.0755m/z	136.0754609	10.25731667	pos	Dopamine	HMDB0000073	Benzenoids	Phenols	Benzenediols	***	C03758	37.8	0	M+H-H2O	C8H11NO2	-1.499007448	2581.718024	2221.635818	2554.224931	2586.758281	2426.927214	2642.611459	2601.102382	2524.123546	2726.279895	2281.725366	2580.066031	2382.104034	2350.140078	2238.718913	2485.868714	2708.619495	2349.027494	2638.982323	2356.452724
10.38_136.0755m/z	136.0754654	10.38106667	pos	p-Octopamine	HMDB0004825	Benzenoids	Phenols	1-hydroxy-2-unsubstituted benzenoids	**	C04227	37.8	0	M+H-H2O	C8H11NO2	-1.469366023	475.6169538	509.2409171	433.3336005	412.1516294	414.313426	424.4607749	857.5830446	273.9081989	469.814716	487.4052062	453.7355968	320.2510074	169.0734505	441.4146592	190.4995141	270.3470988	483.740761	209.5983659	491.9917853
10.38_647.0529m/z	647.0529497	10.3819	neg	"{2,6-dihydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid"	HMDB0128526	Phenylpropanoids and polyketides	Stilbenes	Unclassified			37.8	2.15	2M-H	C14H12O7S	-0.804470108	51662.13781	42719.33056	44181.17493	50258.05953	43577.28628	45615.84047	43189.21599	44182.24004	41461.6681	43570.07085	46449.60518	47981.27468	50241.29772	48454.64607	45169.93828	47400.03831	44643.27232	48522.42412	42433.11161
10.42_256.2398n	255.2325167	10.42301667	neg	2-Octanone	87564	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		37.8	0	"M-H, M+FA-H"	C16H32O2	-1.706081776	2312.908697	1963.16559	1669.411109	2011.865286	2064.158275	2105.411515	2513.641183	2128.01558	3088.798261	1624.362487	1958.61632	2755.562843	2650.979856	2002.627778	2126.346946	1635.704039	1568.457375	2066.567313	1723.687398
10.53_1013.6521m/z	1013.652124	10.52578333	pos	NeuAcalpha2-3Galbeta-Cer(d18:1/16:0)	56047	Unclassified	Unclassified	Unclassified			37.8	0	M+Na	C51H94N2O16	2.592573002	5111.698662	8133.466658	5232.035522	5775.262446	7331.387175	10026.75633	4967.849109	5884.695216	9919.823734	5654.746704	4659.697664	10980.73476	10264.54915	5552.944595	7506.277951	5412.107302	10233.13807	4968.462701	9019.1473
10.61_419.3147m/z	419.3147275	10.61115	pos	11'-Carboxy-alpha-chromanol	HMDB0012515	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		37.8	0	M+H	C26H42O4	-2.052992532	7238.844008	6235.702002	6599.499874	5833.661794	5740.065138	6361.80217	7205.404717	6644.972643	7211.888954	7145.669547	6779.495242	6235.767434	4810.439986	6169.416013	6144.923355	7676.559139	6467.293544	7303.36898	7452.077744
10.63_482.2524m/z	482.2524491	10.63191667	pos	Dulciol B	86643	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			37.8	0	M+NH4	C28H32O6	-2.725338257	3216.816207	2908.057375	3670.011719	3797.723935	4319.145281	4708.698972	3173.274633	1065.019652	1749.095688	1763.834853	2765.18812	1991.301489	4766.51977	3004.797571	3733.352339	3198.34079	3059.514898	2431.249467	4828.204742
10.65_414.3570m/z	414.357017	10.65311667	pos	Wuhanic acid	LMFA01050559	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.8	0	M+NH4	C24H44O4	-1.938854831	5846.081654	5087.209768	6008.996896	4838.830815	5125.753396	5302.274989	7006.809899	7363.713973	7211.141768	2902.15421	4842.268312	7348.840139	5959.064254	3557.254756	6661.98144	6321.200925	7207.839468	5486.535089	2585.79525
10.96_281.2469m/z	281.2468586	10.9628	pos	Mangold's acid	LMFA01030119	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	*		37.8	0	M+H	C18H32O2	-2.312493603	6598.938474	6100.644189	5650.946892	5976.292677	7012.088425	5249.448189	5518.87613	6215.818426	5955.820427	5577.030395	5787.357981	6363.548183	6092.310106	5793.720887	6883.641765	6220.368522	5715.546867	6263.566087	5745.754951
11.19_623.2602m/z	623.260222	11.1889	neg	Deserpidine	HMDB0015221	Alkaloids and derivatives	Yohimbine alkaloids	Unclassified		C06541	37.8	0.00367	M+FA-H	C32H38N2O8	-1.378333295	22397.99416	18572.65386	18989.00412	26599.51101	34951.90525	41370.62353	27361.524	22531.63316	11852.17916	27007.65598	26820.03506	19238.01785	21147.44797	18795.90097	28348.07282	29990.91101	31302.73447	36183.48709	30427.61217
11.69_346.2769m/z	346.2769374	11.68771667	pos	Zwittergent 3-14	68920	Unclassified	Unclassified	Unclassified			37.8	0	M+H-H2O	C19H41NO3S	-1.347557747	7998.227276	6911.235394	7467.969872	6227.950614	8437.666337	7338.022075	9638.375775	191.4029644	163.9375337	9776.013165	6549.684891	1269.950978	8999.4341	7247.760201	12940.28384	7063.34434	13147.24759	12111.60139	15230.4689
11.79_417.3354m/z	417.335445	11.78948333	pos	Calcitriol	6382	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	**	C01673	37.8	0	M+H	C27H44O3	-2.105712423	8215.865956	6497.239839	7282.264606	15567.99281	4765.093245	11100.51526	10162.99076	4438.741628	7649.967839	3972.306124	18055.30889	5710.903456	6041.004871	11751.45684	5695.864197	10004.02823	10087.16965	15596.57752	3325.216561
11.81_371.2268m/z	371.2268374	11.80926667	pos	Fortimicin KH	71972	Unclassified	Unclassified	Unclassified			37.8	0	M+Na	C15H32N4O5	0.995325089	10972.26257	10219.35288	10326.28577	11338.1919	10184.44508	9601.04842	10310.79233	11479.66019	10058.38115	9630.418493	10322.17359	9661.227158	9764.765529	10042.46939	11087.26406	11263.73742	8794.323041	9665.646153	10000.94687
11.97_517.1353m/z	517.1353106	11.97475	neg	Medicarpin 3-O-glucoside-6'-malonate	64290	Unclassified	Unclassified	Unclassified			37.8	0	M-H	C25H26O12	0.310283794	582.8385727	413.1250167	657.1518784	730.5484043	1282.508872	554.0444758	806.4759615	555.4693386	1056.232093	766.272154	496.7876917	363.1973792	1497.096393	1169.391323	1080.602354	692.3965991	537.9498366	1066.652865	968.9726866
12.16_340.2841m/z	340.2840624	12.15825	pos	15-HETrE	LMFA03050026	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		37.8	0	M+NH4	C20H34O3	-1.731951851	3470.418111	3254.781753	4021.12529	3501.961141	4944.234109	5124.402689	2320.993632	3454.634902	1810.354638	3286.955569	2742.358227	3921.668054	3590.414389	3256.558576	2401.399585	3730.555472	3670.337916	5454.014598	3621.835141
12.18_328.2838m/z	328.2838407	12.17966667	pos	(R)-2-Hydroxysterculic acid	87380	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		37.8	0	M+NH4	C19H34O3	-2.513516822	2224.589612	2003.267896	2225.393403	3681.729123	1877.279387	2709.182311	1874.450093	2143.629061	1285.442637	1468.782047	1725.221975	2954.760526	1909.932326	1535.641903	1996.472724	2347.168205	2542.352185	3516.989986	2746.384621
12.35_283.2426m/z	283.2426349	12.35293333	neg	3beta-Hydroxypregn-5-ene	70094	Unclassified	Unclassified	Unclassified			37.8	0	M-H2O-H	C21H34O	-1.620013347	1168.878211	1380.681612	1413.990139	1785.597012	1603.781921	2069.369844	1824.653068	1320.035721	1380.185132	1097.409336	1812.066039	1424.024467	1282.335941	1715.9038	1507.095289	1928.863163	1484.693354	1822.932408	2154.883315
12.35_745.4427m/z	745.4426578	12.35293333	neg	"PG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	LMGP04010138	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols			37.8	2.1	M-H2O-H	C42H69O10P	-3.055936619	9346.271833	6838.949045	8686.366055	13438.8468	9231.535518	10990.87722	10595.79881	10969.54548	7718.158927	7351.714253	14687.96476	12058.40709	15021.58554	12770.35978	13915.78887	10839.88717	14002.64667	11359.25339	14822.06345
12.69_362.2369m/z	362.2369165	12.69031667	neg	N-palmitoyl taurine	44910	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			37.8	0.613	M-H	C18H37NO4S	-0.3764487	17237.2615	17154.04056	17312.66818	19151.64778	31520.96942	29408.56159	16706.67725	10453.19673	10887.23765	21609.94471	15110.61477	4541.836133	21242.26859	18294.99985	18071.45156	18025.59559	17526.852	18229.48051	23186.91904
12.80_596.3932m/z	596.3931518	12.79566667	neg	PC(O-16:0/4:0)[U]	40100	Unclassified	Unclassified	Unclassified			37.8	0	M+FA-H	C28H58NO7P	-0.255619592	14523.49224	12966.73335	15410.58287	14566.62953	14363.31831	17602.70158	17500.43461	10830.26607	11650.71101	15205.79921	16112.52106	14472.66917	17884.882	19041.16863	18019.98525	15714.57706	14861.30172	12870.75393	15591.10738
12.85_371.2269m/z	371.2268724	12.84745	pos	Fortimicin B	71871	Unclassified	Unclassified	Unclassified			37.8	0	M+Na	C15H32N4O5	1.095706123	6727.974566	9165.815297	7699.752506	8932.026787	7406.157561	8105.728386	8102.690097	8177.374916	8422.233224	8982.046424	7880.322357	8513.910856	7563.389274	7501.78669	6706.193968	7808.88138	8154.952951	8980.552587	7397.419386
12.86_447.0087m/z	447.0086799	12.85793333	neg	SC-514	45240	Unclassified	Unclassified	Unclassified			37.8	0	2M-H	C9H8N2OS2	0.773558944	4807.867573	4090.88349	4806.255033	4975.031617	4488.138676	4914.832841	4793.533707	5326.07065	5859.962718	5253.599872	5514.3336	5140.347105	5199.33019	4241.947171	5258.668981	5579.951669	4041.712478	5348.67898	4977.641289
12.87_327.2005m/z	327.2005403	12.86786667	pos	Istamycin AP	71980	Unclassified	Unclassified	Unclassified			37.8	0	M+Na	C13H28N4O4	0.868558439	17754.38481	16632.77481	17939.01614	18987.03275	17980.75325	17130.65623	20194.75032	19777.8231	20815.10198	20235.13391	20513.72239	19327.37391	18132.63048	19649.08668	18561.17979	19252.1525	20674.87673	23283.60336	19209.79233
12.89_354.3357m/z	354.3357376	12.88735	pos	"13Z,16Z-docosadienoic acid"	35068	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C16533	37.8	0	M+NH4	C22H40O2	-2.731141512	22804.32881	15915.31936	22366.89222	18475.4344	20999.04287	18540.66561	22230.70612	25612.98578	20816.29251	20428.26119	19481.26294	17701.29959	16232.57339	17962.73197	15680.6315	19253.7271	17934.16868	21624.28089	18527.21621
12.98_405.1735m/z	405.1735435	12.98335	neg	Alanyl-Asparagine	HMDB0028682	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.8	4.35	2M-H	C7H13N3O4	-0.964902522	12692.967	16385.8498	14354.18323	12571.32618	17783.85245	13171.86743	20817.2116	20531.43114	27858.76293	12047.3094	16548.24764	23875.32775	18292.92358	18668.21859	16664.10348	15314.92736	13698.65244	15792.4837	20266.10466
13.61_396.2175m/z	396.2175484	13.60703333	neg	PE(12:0/0:0)	LMGP02050005	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			37.8	0.553	M-H	C17H36NO7P	4.747199527	1167.242713	2000.136597	1673.942463	820.5052211	1947.560155	1078.761249	1762.381264	2204.899967	3640.113155	2729.176866	2021.392094	484.0167299	611.9835003	5000.30783	2507.283301	2171.954083	1227.769885	1162.270096	740.7288739
14.79_358.2764m/z	358.2764091	14.79273333	pos	"(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol"	70386	Unclassified	Unclassified	Unclassified			37.8	0	M+NH4	C20H33FO3	3.55756829	3564.349189	3022.496363	3496.067628	3410.946334	4968.25063	4947.339235	3516.231966	752.0216882	610.9174986	4159.15795	4041.325629	1660.86167	5696.686061	4559.738755	4277.996101	4952.437042	4346.122314	4203.320225	5407.228641
15.59_183.1011m/z	183.1010704	15.58515	pos	Homoagmatine	HMDB0031505	Organic nitrogen compounds	Organonitrogen compounds	Guanidines			37.8	0	M+K	C6H16N4	2.884740085	3862.675418	3948.684775	3351.06636	4324.740143	3652.764435	4127.289293	3921.69337	3996.619165	3678.363652	3819.550991	3869.59129	4057.820248	4335.82067	3749.597715	3768.484001	4365.803139	3802.366627	3604.177695	3665.708149
15.72_141.1271m/z	141.1270845	15.71671667	pos	Pelargonic acid	LMFA01010009	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C01601	37.8	0	M+H-H2O	C9H18O2	-1.942006002	11111.12822	11949.97529	11554.32547	11700.43265	12000.70729	12043.2611	12096.93144	11778.61567	10923.29567	11816.32826	11661.94776	12123.81901	11886.42696	11758.4036	11563.19249	12181.78548	10858.65849	11202.65641	11147.67813
15.74_154.0970m/z	154.096969	15.73598333	pos	4-(beta-Acetylaminoethyl)imidazole	66292	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acid derivatives	**	C05135	37.8	0	M+H	C7H11N3O	-3.392693443	6026.955441	6139.875088	6347.471564	6285.37217	5703.988363	5943.714804	5782.200821	5766.654486	8263.626595	6354.804422	5003.735119	5902.311725	5989.992712	5314.441656	6561.755972	8423.448683	5720.778024	6566.534934	5714.107998
15.74_165.1133m/z	165.1132504	15.73598333	pos	1-Pyrimidinylpiperazine	HMDB0061017	Organoheterocyclic compounds	Diazinanes	Piperazines			37.8	0	M+H	C8H12N4	-1.355561627	4407.715372	5033.290499	4470.853812	5341.075398	4059.977869	4004.991698	4625.741654	3648.642029	5783.512354	3732.814628	4763.7437	4302.777838	4458.340424	4706.05664	6422.806549	7225.082599	5376.505805	4779.450419	3913.265635
15.74_170.0921m/z	170.0921	15.73598333	pos	3-Methylhistidine	HMDB0000479	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C01152	37.8	0	M+H	C7H11N3O2	-1.79202481	6943.873268	8032.760815	7782.062959	6872.429527	5285.581119	6356.085385	4406.79592	5411.905921	5518.918404	7400.583394	5663.386639	6642.784343	6617.855573	6968.437796	7281.71283	9434.990487	6612.351529	6849.688631	5519.317532
15.76_116.0528m/z	116.0527894	15.75651667	pos	4-Methylthiobutanaldoxime	64485	Unclassified	Unclassified	Unclassified			37.8	0	M+H-H2O	C5H11NOS	-0.431055294	3900.980629	4443.429028	3768.24895	3937.079251	3514.147978	3333.562874	3905.765456	3366.464957	3705.866931	3273.741888	3962.681126	4186.325823	3871.901654	4252.74954	3784.475338	3845.232867	3888.19102	3565.708179	3935.926088
15.76_150.0679n	151.0751512	15.75651667	pos	4-Hydroxydihydrocinnamaldehyde	64396	Unclassified	Unclassified	Unclassified			37.8	0	"M+H-H2O, M+H"	C9H10O2	-1.472452404	23761.32925	21352.45672	23370.13686	24011.7583	23283.34846	24247.19432	25112.15479	25052.50338	25407.60393	26521.93091	27360.90933	23850.79296	23600.80292	22951.31501	24955.21862	24640.49685	23075.40918	23221.78858	23422.93203
15.76_217.1582m/z	217.1582335	15.75651667	pos	"4,10-Longipinanedione"	88165	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.8	0	M+H-H2O	C15H22O2	-1.956917462	30106.11178	31035.97036	29546.35572	28675.0668	30365.28656	30577.44023	31749.58133	30772.78751	34799.48413	31665.2425	34508.90731	29543.97386	31565.92992	29942.02566	30824.42039	29786.46605	27818.05731	29500.03733	29195.55783
2.05_375.1532m/z	375.1532161	2.054766667	neg	Nα-Acetyl-L-glutamine	58344	Unclassified	Unclassified	Unclassified			37.8	0	2M-H	C7H12N2O4	2.86793892	639.9873382	530.025397	502.7683105	0.000297236	748.6457021	227.1105127	0.000297236	3478.369162	928.5703968	0.000297236	0.000297236	372.2801128	0.000297236	180.7002538	161.6442939	403.3125403	96.780346	359.1743209	0.000297236
2.05_422.1565m/z	422.1564974	2.054766667	neg	Imidaprilat	HMDB0041908	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.8	0	M+FA-H	C18H23N3O6	-1.036463427	1940.589162	2760.970573	2769.46225	2380.321142	2969.991999	1871.957335	2346.256585	4355.818213	2339.749474	2057.928847	2073.293553	3656.044958	2294.995234	2324.163274	1726.812782	1865.912171	3105.47478	2154.217566	3455.885109
2.31_145.0686m/z	145.0686223	2.309933333	neg	S-Methyl hexanethioate	HMDB0039465	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl thioesters	*		37.8	0	M-H	C7H14OS	-4.363182443	1685.641886	1830.441635	1668.043164	761.782731	2841.680291	1119.008545	898.813096	4999.823646	3293.34757	1270.398785	941.2597824	1281.195797	1359.296999	1750.655186	1482.9759	1366.034596	1946.999275	1245.926286	1195.816808
2.63_389.1115m/z	389.111484	2.626266667	pos	N-Caffeoyltryptophan	86535	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.8	0	M+Na	C20H18N2O5	1.889169551	6883.592525	8062.881634	8082.063217	8047.395553	7880.75019	6664.324612	7443.327013	6398.954951	7849.598682	7215.215514	6440.205662	8472.040754	7415.789224	7699.17414	7469.824991	8094.27163	7048.328575	7019.48452	7247.212406
2.90_213.1848m/z	213.1847889	2.902133333	pos	Ethyl 10-undecenoate	LMFA07010850	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.8	0	M+H	C13H24O2	-0.554098693	6478.015063	5255.134515	5807.901726	5412.779975	5516.61614	5795.421454	5924.597949	5693.289345	6163.509018	5601.035211	5668.444021	5365.618705	5657.715734	5517.705264	5399.490826	5184.313202	5761.36735	5873.849177	5432.443734
3.44_185.1283m/z	185.1283249	3.435833333	pos	p-Hydroxynorpseudoephedrine	2017	Unclassified	Unclassified	Unclassified			37.8	0	M+NH4	C9H13NO2	-0.77388497	668.2776498	905.711637	686.4686165	779.570432	260.0426285	225.6342796	804.1714872	606.1832371	286.3660085	123.6833805	853.6216727	649.9061974	1415.903792	2696.42465	436.0672419	306.9326422	478.9812118	248.3679875	1855.503362
3.48_242.0465m/z	242.0464552	3.476266667	neg	OXOLINIC ACID	44143	Unclassified	Unclassified	Unclassified			37.8	0	M-H2O-H	C13H11NO5	2.198014228	691.2820675	640.0205194	713.7113661	446.3332918	636.3967011	717.3524979	824.4452306	438.5183265	439.9514814	989.4356432	643.4937005	660.5873959	621.1696309	750.1749639	644.7064747	794.9665865	750.792164	486.7301954	632.9367736
3.53_299.0705m/z	299.0705096	3.534466667	neg	Acetaminophen cystein	HMDB0060559	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.8	0.129	M+FA-H	C11H14N2O3S	-0.813141303	3652.367516	3830.604311	3610.783103	3947.832163	3439.0161	3617.486675	3770.566486	3123.09859	3203.130509	3474.560514	3567.49462	3912.067897	3727.637979	3794.923654	3696.523954	3656.224681	4223.220535	4062.553066	4008.030617
3.53_424.0350m/z	424.0350233	3.534466667	neg	6-Thioguanylic acid	HMDB0060789	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides	**	C16619	37.8	2.32	M+FA-H	C10H14N5O7PS	4.392644932	8686.483996	9077.429008	9453.478217	8991.623779	8848.290797	8871.884154	10664.79336	8949.223983	8223.379696	9739.154216	10258.26712	8680.790849	9203.517574	9631.833321	8696.010161	9887.13207	9636.061334	9975.005752	9343.70903
3.53_497.1417m/z	497.1416943	3.534466667	neg	Hycanthone mesylate	73132	Lipids and lipid-like molecules	Steroids and steroid derivatives	Physalins and derivatives	*		37.8	0	M+FA-H	C21H28N2O5S2	-1.045245157	75986.90681	77928.70119	76309.313	80643.17408	71528.54992	77573.0674	78901.41809	59005.58026	58202.05216	79186.55652	74079.80963	70769.40159	77485.26433	85851.6475	78666.57215	80746.06448	90951.7934	91341.86507	93365.095
3.72_277.0650m/z	277.0649641	3.721766667	neg	Metsulfovax	72694	Unclassified	Unclassified	Unclassified			37.8	0	M+FA-H	C12H12N2OS	-1.175601206	585.2072322	525.6246608	652.4041462	481.5521656	415.9032646	755.5045583	335.4246889	775.4896544	691.2490182	672.7786143	434.5847679	946.1086287	255.9778411	306.3046688	710.7903639	680.0623424	497.4136878	619.9782447	857.7470964
3.72_359.1282m/z	359.1281682	3.721766667	neg	Metofluthrin	69581	Unclassified	Unclassified	Unclassified			37.8	0	M-H	C18H20F4O3	1.630587344	712.5423626	555.2507605	657.186362	587.3395741	637.9558911	499.164113	682.9357262	500.9750433	828.6534953	597.6222771	558.8271819	546.0219331	644.6109138	813.7368473	523.0236748	573.3984947	564.5484624	658.4979645	750.3200807
3.76_301.1701m/z	301.1700949	3.763516667	pos	IU1	64772	Unclassified	Unclassified	Unclassified			37.8	0	M+H	C18H21FN2O	-3.241897463	1712.202878	1783.158236	1903.071669	1182.964396	2690.844832	1696.385475	1734.049026	1525.557608	1496.260812	2286.039823	1290.901079	1144.684689	2612.069351	2922.069403	2613.400438	2282.382854	1784.957381	1342.062726	1971.572856
3.83_208.0943m/z	208.0942964	3.82585	pos	Otonecine	68272	Unclassified	Unclassified	Unclassified			37.8	0	M+Na	C9H15NO3	-0.635657287	67.65389248	71.32741146	107.1583163	63.51916745	68.55104033	139.2908056	133.9584826	45.22799805	64.0437039	79.47683268	0.000297236	56.92717714	57.26408536	125.2599099	128.3582436	47.85804874	64.05567633	60.18965066	0.000297236
3.85_247.0331m/z	247.03313	3.850883333	neg	Fludioxonil	72268	Unclassified	Unclassified	Unclassified			37.8	0	M-H	C12H6F2N2O2	2.711628559	187.2439994	215.7272023	176.6024686	249.6234383	260.921073	201.3687257	244.7019367	515.1407083	246.0854409	428.0374803	142.4243916	237.8848189	175.7915638	165.2669913	237.6051264	103.5030649	245.4742822	173.9606599	232.8632587
4.02_242.9965m/z	242.9965012	4.01795	neg	2-Hydroxy-4-methoxyacetophenone 5-sulfate	96011	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			37.8	0	M-H2O-H	C9H10O7S	-1.455246328	1112.025923	1090.262633	1054.57937	470.0310044	1805.868683	2569.493201	362.1607279	83.78441737	380.4086283	2779.538553	273.8853149	800.6209296	984.5904997	473.6977288	1241.235179	269.5673002	994.7510709	444.5841158	661.0474257
4.06_749.1217m/z	749.1216764	4.0574	pos	Scleroglucan	86607	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37.8	0	M+K	C24H40O20P2	-0.420455151	33105.63605	28737.09361	29120.67473	23308.94848	24318.70553	20694.03196	22100.70023	32132.88896	51839.13654	25117.64304	21567.65647	44659.64068	17512.1282	18865.04313	26504.25915	24568.98815	27072.60592	24831.18537	21834.75797
4.08_258.9915m/z	258.9914852	4.078183333	neg	Caffeic acid 3-sulfate	96064	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			37.8	0	M-H	C9H8O7S	-1.199728535	321.3202532	269.9858224	221.8962061	100.9182079	294.2135497	328.0143855	203.4216939	1642.756877	1575.950825	233.9720656	87.3115714	950.9167386	75.55947927	0.000297236	240.4526559	0.000297236	168.2515411	61.26297475	0.000297236
4.12_190.1437m/z	190.1436585	4.11915	pos	9-oxo-nonanoic acid	74794	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C16322	37.8	0	M+NH4	C9H16O3	-0.647275787	224.0220261	252.5145847	222.0414085	266.3757561	266.1656706	139.0653507	133.8225348	235.1082124	325.3939736	268.3086221	128.4534689	315.8581937	75.67760682	335.0725573	492.5171994	310.4631301	303.4322434	330.6970797	124.9332813
4.12_198.8883m/z	198.8883206	4.119566667	neg	Calcium carbonate	66831	Unclassified	Unclassified	Unclassified			37.8	0	2M-H	CCaO3	4.639206915	11527.85401	11433.60357	10985.83462	1323.502969	1300.59106	1171.627325	1354.953849	42688.65264	49169.75277	1420.958062	1421.414748	27865.48277	1375.044755	1263.01747	1310.516044	1571.845544	1263.936018	1295.114761	1198.29688
4.12_324.0675m/z	324.0675396	4.119566667	neg	N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate	63904	Unclassified	Unclassified	Unclassified			37.8	0	M-H2O-H	C11H22NO7PS	-0.230169348	2549.494127	2573.711879	2309.994986	2789.001469	1995.590484	3367.49934	1881.208153	2451.200764	2038.965743	1931.860003	1480.38476	3613.228631	2246.238601	2128.368624	2849.210063	1768.809611	2574.690116	2692.655349	4102.185258
4.12_341.1150m/z	341.1150198	4.119566667	neg	Dictyoquinazol C	94945	Organoheterocyclic compounds	Diazanaphthalenes	Benzodiazines			37.8	0	M-H	C18H18N2O5	2.117941234	370.3124699	333.7647741	269.3775902	161.6923157	504.8979114	82.27491681	95.43193429	124.6558901	1164.358995	715.2702338	704.7399231	59.61685807	219.0325799	114.3886462	233.5521247	285.2548376	277.2611171	274.5218242	52.93744861
4.16_659.2530m/z	659.25303	4.161483333	neg	(±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4'-glucoside	HMDB0033068	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37.8	0	2M-H	C15H22O8	-3.981591926	1835.773175	1623.797033	1751.526329	1967.530979	1959.160057	953.5899953	1556.039686	1593.212847	1833.907658	1745.183773	2199.920021	1897.510654	1360.369243	1451.633097	1513.910987	1683.232095	1377.214196	2045.466339	2290.616886
4.58_226.0895m/z	226.0895451	4.575416667	pos	Methyl 5-(1-Propynyl)-2-thiophenepropanoate	HMDB0034759	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.8	0	M+NH4	C11H12O2S	-0.389580252	618.497072	419.2985154	415.7490588	312.9809429	366.6629972	438.079084	100.6278922	481.3020886	580.6643237	295.2168388	386.0092324	522.4382168	319.5011635	494.6984433	632.4204715	315.5962539	638.7438703	653.1537239	256.9320594
4.61_259.0715m/z	259.0715498	4.6053	neg	"1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid"	88186	Alkaloids and derivatives	Harmala alkaloids	Unclassified			37.8	0	M-H	C13H12N2O4	-3.386205345	388.5321713	355.9644476	424.2117982	148.6661466	381.283487	619.7218112	314.880306	759.9328907	956.5169821	564.298588	295.5348049	493.3489325	239.2968296	359.997575	279.8867638	111.7405267	152.491152	371.5678801	205.1806988
4.64_185.1170m/z	185.1169892	4.63615	pos	(1'R)-Nepetalic acid	91274	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.8	0	M+H	C10H16O3	-1.257702636	3250.171072	2849.539362	2586.54259	2859.825897	2662.496409	2757.513301	2830.761801	2969.964509	2975.946893	2892.980607	2834.130628	3380.036682	2574.439533	2674.091754	2873.985153	3014.216005	2683.577973	2972.544889	2537.119708
4.69_282.0958m/z	282.09577	4.689533333	neg	Glutamyl-Histidine	85735	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.8	0	M-H	C11H15N4O5-	-4.23222705	583.0397129	514.2258439	544.2691328	237.0630442	999.5961092	372.444533	153.9542825	1877.639551	1008.355478	363.9881409	348.7983836	391.1603227	448.324442	460.3317202	424.8228264	289.8103946	520.0776382	326.666839	405.8403789
4.75_215.1281m/z	215.1281074	4.7531	neg	8-Methylnonenoate	HMDB0012183	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C18202	37.8	0	M+FA-H	C10H18O2	-4.556857171	714.7852511	704.6206172	773.5932317	669.8400854	742.1871308	955.5650881	700.5018073	982.3623725	1172.565382	727.3097498	772.5840268	727.4237873	752.4368574	723.753841	649.0431163	618.4072242	607.7218482	829.1405261	502.8140823
4.93_294.0515m/z	294.0515427	4.9336	neg	Cysteinyl-Glutamate	85688	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.8	0	M+FA-H	C8H13N2O5S-	-4.728752321	423.8862692	567.8561063	525.2418773	583.7626382	408.2144156	801.5067733	446.3838635	523.7236094	412.7144712	438.8451951	378.8310384	578.6836698	547.6288176	570.8299022	632.3597895	314.27763	703.8378685	429.5976827	911.4246661
5.10_598.2669m/z	598.2669106	5.103283333	neg	8'-Hydroxydihydroergotamine	2261	Unclassified	Unclassified	Unclassified			37.8	0	M-H	C33H37N5O6	-0.328600587	3927.859305	3909.570703	3148.195219	1385.912595	6313.733337	5337.066791	5302.335266	5893.981894	13070.64601	2291.516227	4668.574577	13676.24843	1900.979429	1694.218947	1505.519284	1265.67553	1540.452657	1951.595319	1520.362513
5.23_309.0605m/z	309.060482	5.2307	neg	2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate	63985	Unclassified	Unclassified	Unclassified			37.8	0	M-H2O-H	C14H16O9	-3.380215988	1422.984406	1713.856733	1488.580691	2333.217943	1904.641756	1511.565734	1599.34618	1365.264728	1581.103311	1938.333472	1924.690436	1401.632733	2308.622199	1617.754708	1766.633821	2091.191959	1428.1606	1786.624203	1590.750279
5.61_367.2126m/z	367.2125701	5.613333333	neg	(S)-Oleuropeic acid	HMDB0036998	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.8	0	2M-H	C10H16O3	-0.114695764	647.16203	849.1544059	660.7103666	896.5106895	361.6373501	1044.391297	352.3608131	1342.541758	721.5158471	332.1133981	378.6851165	875.8632271	835.3030301	859.236893	772.7140097	505.9105977	690.0722671	1057.625552	1838.806139
6.17_255.0692m/z	255.0691739	6.17	neg	Thiolactomycin	68888	Unclassified	Unclassified	Unclassified			37.8	0	M+FA-H	C11H14O2S	-2.283168985	1581.049872	1913.493276	1603.704159	1658.450306	1274.2457	1436.808656	1814.540206	942.3189376	1437.164394	1493.448411	1507.481728	1327.488151	1193.809109	1272.70657	1594.234223	890.2616449	1503.033858	1285.500622	1460.04539
6.29_349.1768m/z	349.1768058	6.2942	neg	Boc-Phe(NMe)-Gly-OMe	65476	Unclassified	Unclassified	Unclassified			37.8	0	M-H	C18H26N2O5	-0.256149293	403.6669218	284.9546789	434.5410346	693.5484894	49.56336746	569.1747056	490.7446599	0.000297236	0.000297236	455.0223456	696.201925	0.000297236	361.1785788	718.985822	649.2845839	784.1506169	624.2814337	1263.707276	355.6461809
6.64_415.2701m/z	415.2701246	6.640966667	neg	Polysorbate 60	HMDB0037183	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters			37.8	0	M-H2O-H	C22H42O8	-0.006061979	722.6428608	1043.347686	950.21612	1083.911154	361.0241262	516.358	689.7107804	995.7272685	569.7373563	344.9332365	753.5724924	1766.175513	994.274316	1173.245196	1164.825006	1172.839129	1010.320244	1475.850886	1104.898204
6.73_432.2715m/z	432.2714596	6.726866667	pos	"N-(9,12-octadecadienoyl)-glutamic acid"	LMFA08020217	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			37.8	0	M+Na	C23H39NO5	-1.4278409	13285.85885	10403.57343	12131.17233	7615.388401	7746.655243	7128.824134	9715.296099	7662.909286	30716.05024	8908.472186	9127.791244	15296.77064	24508.64677	5981.427336	6052.398228	6748.066927	14593.81424	9397.882135	10652.8052
7.01_315.1332m/z	315.1332356	7.009116667	pos	16-bromo-9E-hexadecenoic acid	LMFA01090012	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.8	40.3	M+H-H2O	C16H29BrO2	4.31038024	3590.380808	3335.122454	2941.316316	2232.930972	5631.681452	3376.821154	2015.312051	2291.003791	2777.223847	4138.241277	2054.995661	3262.898399	2385.879429	1967.397598	3396.75602	3286.81714	2843.262969	3946.566534	3660.075385
7.45_316.2126m/z	316.2125804	7.45285	neg	3-hydroxynonanoyl carnitine	HMDB0061635	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.8	0	M-H	C16H31NO5	-1.15451717	464.2745921	464.712334	518.0690217	642.1428752	289.1091237	1336.476313	777.2466511	213.910119	302.7154216	1216.711135	968.2626861	605.7569218	592.4647673	576.3699757	420.355313	129.6615322	180.4934876	179.3913162	524.2910076
7.53_151.0752m/z	151.0752239	7.53105	pos	4-Methylphenyl acetic acid	6457	Unclassified	Unclassified	Unclassified			37.8	0	M+H	C9H10O2	-0.880027624	4703.089934	4391.937262	4549.211651	4596.043548	4258.793248	4358.571639	4367.56485	4523.584019	4638.740764	4808.558965	5055.271969	3884.11923	4345.928378	4406.48592	4642.868431	4781.402577	4693.364592	4683.015914	4485.585055
8.74_405.1885m/z	405.1884655	8.7395	neg	Arginyl-Tryptophan	HMDB0028720	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.8	0	M+FA-H	C17H24N6O3	-2.01559643	636.043902	700.3624737	576.0229717	58.06914107	808.8693113	386.7401855	222.544834	3883.303097	1916.048128	0.000297236	337.9424237	359.8269266	282.8924788	281.0134614	0.000297236	200.2001574	60.5245319	163.7489965	196.0074603
9.11_429.1505m/z	429.1504559	9.111633333	neg	Succinylproline	69170	Unclassified	Unclassified	Unclassified			37.8	0	2M-H	C9H13NO5	-2.3541905	22589.63418	24562.41092	21711.41594	16974.23674	24858.01095	16578.63688	26872.09294	27104.68921	31311.23766	28188.78691	26431.66907	16918.16816	14913.37799	25205.90957	28803.7523	23642.47632	16427.79219	17252.94639	18496.71263
9.75_375.2540m/z	375.2540418	9.748316667	neg	"2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine"	HMDB0033961	Organoheterocyclic compounds	Pyrrolopyridines	Unclassified	*		37.8	0	2M-H	C12H16N2	-3.664531553	655.1111868	518.7575461	522.2940469	393.3594316	378.0456389	362.7716768	1578.259769	0.000297236	0.000297236	1573.01917	1307.802361	55.14224456	264.3776281	208.474479	2742.590281	1283.787736	1177.703929	1123.452317	0.000297236
0.09_203.1791m/z	203.1791391	0.086083333	pos	beta-Spathulene	91553	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		37.7	0	M+H	C15H22	-1.424784165	5949.461687	5994.37544	5467.479867	6316.758207	5486.969291	5938.712304	5941.930937	6545.707855	5804.257487	5703.63619	6306.125843	5936.27396	5639.536875	5006.492625	6139.495852	5921.244977	5939.825549	6831.07566	5740.123238
0.21_104.0498m/z	104.049787	0.2131	pos	p-Aminobenzaldehyde	2831	Unclassified	Unclassified	Unclassified			37.7	0	M+H-H2O	C7H7NO	2.572112741	2778.099258	4129.134508	3132.571331	2701.82442	2799.773706	3241.204524	2754.934124	3441.125548	3555.252639	3506.210923	2569.198431	3931.539073	3957.454226	3703.354505	4175.092492	3577.029405	3077.812788	3777.671741	3153.524463
0.31_180.1125m/z	180.1124799	0.30925	pos	Nitrilacarb	72714	Unclassified	Unclassified	Unclassified			37.7	0	M+H-H2O	C9H15N3O2	-3.341078992	8229.137285	6855.861599	7691.341522	7223.346894	7020.853691	7687.52355	7659.401705	7730.272982	8146.094124	7025.229295	9208.814326	6465.597074	7652.495955	7186.768216	7425.373227	7767.931169	7611.874802	7731.629279	7118.110735
0.35_283.2627m/z	283.262682	0.346016667	pos	Vaccenic acid	HMDB0003231	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C08367	37.7	0	M+H	C18H34O2	-1.681992831	4663.67145	3816.451618	3886.901098	4041.841345	3985.14413	3726.403247	4517.339854	3641.361773	4017.590396	4211.510929	3910.494293	3915.801656	4303.213425	3983.582925	4368.664918	4669.517845	3551.729821	4518.126381	4134.982406
0.38_371.3152m/z	371.3151751	0.3825	pos	Docosanedioic acid	35989	Unclassified	Unclassified	Unclassified			37.7	0	M+H	C22H42O4	-1.110207067	12614.70515	9552.628172	11324.19595	11859.36346	11768.49708	10785.61313	11893.41897	12847.32328	11380.62734	11959.45065	12642.55455	9858.07785	10463.45547	10571.42371	9639.148673	11704.07085	11753.92191	11095.34982	11572.85827
0.44_297.0820m/z	297.0820031	0.439416667	pos	Sulfaphenazole	HMDB0015667	Organoheterocyclic compounds	Azoles	Pyrazoles			37.7	0	M+H-H2O	C15H14N4O2S	4.917972973	475256.438	598335.3696	484974.7156	499836.2844	475937.2741	511585.68	522329.3675	511054.2714	483381.892	481306.5918	495586.0811	600629.4934	557104.9321	548509.8676	544095.4554	549427.7841	529590.0502	548740.3699	494076.5493
0.46_178.0987m/z	178.0987079	0.457466667	neg	L-Histidine trimethylbetaine	HMDB0029422	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C05575	37.7	0	M-H2O-H	C9H15N3O2	0.620160111	7603.755762	7674.097429	7451.171707	6994.770208	7411.483954	6872.11586	7502.558262	7535.232858	7481.233028	8003.14201	7308.628376	7184.262059	7334.401088	7444.120094	7454.107372	7488.224317	6787.53592	7560.411631	6877.21616
0.50_207.1381m/z	207.1380926	0.499683333	neg	"DIHYDROJASMONIC ACID, METHYL ESTER"	43916	Unclassified	Unclassified	Unclassified			37.7	0	M-H2O-H	C13H22O3	-4.248438994	5361.512333	5237.448466	5158.541819	4772.621302	4866.98169	4401.408638	5047.928373	5002.727427	4740.318977	5348.93927	4779.599713	5060.564683	5252.439089	5041.267719	5171.88466	4985.683444	4716.164446	4764.842594	4537.965459
0.58_235.9543n	470.9041284	0.582133333	neg	Thioquinox	72706	Unclassified	Unclassified	Unclassified			37.7	0	"M-H2O-H, 2M-H"	C9H4N2S3	2.813669405	5785.983196	8300.102367	7599.571593	5960.044147	5896.220989	7111.49325	9950.319029	10514.98948	9309.866427	9179.234632	7687.795683	5889.493722	7201.527197	8293.887632	8230.178894	6815.309888	6382.916639	7286.563513	11741.78037
0.60_359.1230m/z	359.1229889	0.6019	neg	Theophylline	HMDB0001889	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	**	C07130	37.7	0	2M-H	C7H8N4O2	2.261005681	508.1528782	699.502285	493.2701874	935.7455397	674.0412634	475.3199431	1038.187679	424.5099128	489.240222	445.2944367	702.4071911	1122.636683	394.6881474	545.707542	706.4464679	573.4343681	536.0863934	591.5912464	585.9451799
0.62_279.0711m/z	279.0710734	0.623133333	neg	(R)-(Homo)3-citrate	71255	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C9H14O7	-4.623667635	1773.983776	1946.449145	1988.514122	1871.861547	2958.17798	2403.08338	1913.926706	1153.965678	1958.149966	2515.434378	2203.725474	795.7746866	2077.815419	2032.280782	2171.565844	1795.897889	2592.612298	1516.20663	2130.377759
0.63_247.0375m/z	247.0374798	0.62635	pos	Methyl 3-(4-methoxyphenyl)-2-oxopropanoate	265057	Unclassified	Unclassified	Unclassified			37.7	0	M+K	C11H12O4	3.666073365	27344.75682	26427.09436	29258.41651	28339.44859	28462.59192	26340.90029	28726.87048	23089.02858	22077.34763	28002.25118	27104.47115	26338.79193	30631.32112	29828.75671	29096.84533	27874.82324	29238.17422	28242.36753	29714.85379
0.64_306.0110m/z	306.0109832	0.641183333	neg	Methasulfocarb	72520	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C9H11NO4S2	-0.649262128	15523.3361	14848.23224	14599.41083	18117.34922	14544.63473	15212.22592	12611.98407	15271.01503	16225.92601	14790.51698	13249.41679	17444.95981	15997.51629	16926.4602	13022.72675	14462.29426	13926.39252	15874.24318	19726.75357
0.66_207.0781m/z	207.0780788	0.660716667	pos	Dihydronepetalactone	HMDB0035829	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		37.7	0	M+K	C10H16O2	-0.64882136	9540.54028	6239.99674	7045.758054	6220.612086	6447.709599	8062.743816	7540.604374	6900.611468	6153.134978	6797.632147	8105.695271	4904.085583	6175.692319	4918.731722	3705.584731	4887.558101	4550.218707	4419.968984	5879.892016
0.66_217.0471m/z	217.0470555	0.660716667	pos	Erbstatin Analog	45228	Unclassified	Unclassified	Unclassified			37.7	0	M+Na	C10H10O4	-0.381086616	12452.72353	12328.50787	12580.83249	13222.70703	12662.50441	12167.41555	13723.10442	11197.05615	10351.18439	12233.83721	15620.61325	9329.262699	11921.806	11302.4802	12011.74586	12049.56001	12658.09145	12666.36234	9945.128454
0.66_224.0770m/z	224.0769957	0.658766667	neg	D-Galactosamine	63181	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C6H13NO5	-3.237211929	3482.164256	3831.919893	4933.782959	5448.957698	4134.242619	3704.589766	2989.750568	4528.074556	4275.050882	3885.655123	4253.795435	8004.32592	3127.25026	4014.190691	3841.347192	3341.806767	4123.918755	2520.35983	4672.609467
0.66_255.0630m/z	255.0629842	0.660716667	pos	"(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol"	93524	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		37.7	0	M+Na	C13H12O4	0.881933585	28009.60327	24891.2131	29269.97875	26261.56148	25955.84667	29817.94356	26434.3406	40177.4268	36388.18047	27459.10418	22978.57692	37124.07251	26622.28072	20659.27363	21017.22133	26462.97083	23927.55945	27884.62761	25633.49248
0.73_168.0435m/z	168.0435014	0.729216667	pos	Taurocyamine	6962	Organic acids and derivatives	Organic sulfonic acids and derivatives	Organosulfonic acids and derivatives	**	C01959	37.7	0	M+H	C3H9N3O3S	-1.420233749	2874.09587	4416.86263	4526.312656	3387.332874	9468.282815	6899.141601	1295.829496	7117.50916	3305.373967	2683.567986	2874.836838	0.000297236	2235.969797	3146.636752	4213.593851	5703.734162	3941.654773	4023.606739	3766.57998
0.73_263.0870m/z	263.0869905	0.729216667	pos	Na-L-Glutamyl-L-aspartic acid	86956	Unclassified	Unclassified	Unclassified			37.7	0	M+H	C9H14N2O7	-1.47552808	38129.66243	32415.5212	32650.67796	30213.08361	43477.80207	29490.69519	37753.15204	25878.22821	24885.33463	38152.99189	37088.73813	31351.07028	35832.74994	38208.76411	40097.06224	35493.55975	34904.30221	27938.05088	37252.03346
0.73_322.0444m/z	322.04436	0.7299	neg	3'-CMP	HMDB0240312	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	***	C05822	37.7	0	M-H	C9H14N3O8P	-0.664341857	29012.81187	31653.67597	28322.84137	31923.44608	22911.6279	30078.91012	35541.83626	35824.05449	30625.56296	30412.59564	29287.7562	30180.13803	24828.98091	26723.33361	28838.58596	27189.23297	27035.5839	24633.48021	23196.99958
0.73_347.1197m/z	347.1197025	0.7299	neg	Formylisoglutamine	63495	Unclassified	Unclassified	Unclassified			37.7	0	2M-H	C6H10N2O4	-3.259406373	3485.97735	4394.193711	6013.992111	0.000297236	5026.11546	3923.936759	2051.163579	2483.033992	1431.835967	4203.62164	212.8245575	1177.082612	8626.401457	6948.392533	7688.267163	239.7108559	5965.6667	2016.288493	10789.9535
0.75_565.0476m/z	565.0475643	0.746966667	neg	"UDP-alpha-D-galacto-1,4-furanose"	66033	Unclassified	Unclassified	Unclassified			37.7	0	M-H	C15H24N2O17P2	-0.31766661	32619.16059	28272.53016	25851.71901	26704.24936	34695.41378	29887.36862	60076.77284	25894.72013	30432.00173	40580.45516	40377.61585	20463.36627	30103.62046	30973.50786	37556.86997	23304.02647	23334.55685	21305.66805	21385.73809
0.76_115.0176m/z	115.0176403	0.764	pos	Amidosulfonic acid	90228	Homogeneous non-metal compounds	Other non-metal organides	Other non-metal oxides			37.7	0	M+NH4	H3NO3S	4.648452815	2978.90174	3180.010981	2988.158062	1980.485248	3748.358044	1738.148888	2958.094123	1787.61289	1988.493667	2518.581499	3020.972665	2180.417528	3373.281072	5128.059447	5436.012106	4179.22592	3240.647777	3213.562963	3251.548389
0.76_290.0993m/z	290.0993124	0.764266667	neg	Hydroxyprolyl-Asparagine	85767	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.7	0	M+FA-H	C9H15N3O5	-0.249150285	4079.114758	5009.957077	6795.089966	5247.778681	6522.930652	9997.252969	5767.065904	7257.352228	6982.010908	8000.3378	5285.101342	3923.478325	6145.494848	5403.617702	4815.280396	5992.968484	6579.689971	5192.617644	4323.248776
0.76_358.1127m/z	358.1126945	0.764	pos	Aesculin	HMDB0030820	Phenylpropanoids and polyketides	Coumarins and derivatives	Coumarin glycosides	***	C09264	37.7	0	M+NH4	C15H16O9	-1.655857254	14621.65691	13448.89325	14930.24682	12997.92433	9769.865256	3238.733261	20381.80756	939.3163395	5944.107137	15059.01442	11824.98174	6126.951371	20407.11422	20628.92396	22534.13034	14660.0196	14767.14878	14600.14957	23683.12773
0.78_247.1298m/z	247.129786	0.781716667	neg	Alanyl-Isoleucine	85606	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.7	0	M+FA-H	C9H18N2O3	-0.788094189	646.2615949	698.447393	620.9105671	1709.389849	325.1505256	696.7634617	151.743186	734.9797593	660.2535844	223.1573329	777.8184912	1874.473549	228.3197961	396.2690006	1004.774434	1052.793749	317.5597669	1779.130751	1366.504541
0.80_217.0822m/z	217.0822333	0.801	neg	L-prolyl-L-glycine	62025	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C7H12N2O3	-4.427226022	7122.099722	8402.266396	7184.920176	6713.309026	7525.6605	9381.569991	5963.223558	6905.235447	7111.758251	10005.07639	5050.577028	7683.76579	6754.864936	5477.888802	7310.277129	6502.563341	7450.029519	6091.722329	8557.032727
0.82_100.0219m/z	100.0219295	0.816033333	pos	5-Methylthiazole	89008	Organoheterocyclic compounds	Azoles	Thiazoles			37.7	1.31	M+H	C4H5NS	3.867237779	3740.1247	6146.082445	5493.702281	6134.458881	4491.65013	5722.625281	5183.637681	2971.171675	4194.512553	5014.179731	8164.693905	1280.0542	7175.20197	4543.74687	8580.411713	7630.997398	6260.063759	4434.77471	7536.451454
0.84_222.9830m/z	222.9829562	0.837816667	neg	"2,3-Diketo-5-methylthio-1-phosphopentane"	HMDB0060266	Organic acids and derivatives	Organic phosphoric acids and derivatives	Phosphate esters	**	C15650	37.7	0.797	M-H2O-H	C6H11O6PS	-2.472585083	14998.85609	16696.29111	16835.85537	14286.20341	15419.04941	18720.00668	14965.25428	16161.6805	19980.1345	20692.89792	18454.78034	16101.86624	11843.20086	14512.6178	15670.96503	16626.77605	16403.22209	16282.72282	14471.54377
0.89_326.0902m/z	326.0901556	0.89155	pos	SR95531	69708	Unclassified	Unclassified	Unclassified			37.7	0	M+K	C15H17N3O3	0.021390222	8873.178951	9963.978692	9528.021613	10702.56504	6622.611146	27767.96771	4432.346316	19083.52009	22472.54763	10999.92934	7120.580496	9493.556782	6181.190301	3933.270236	4503.679341	4912.87474	3565.940035	4709.044001	3638.631709
1.04_317.0789m/z	317.0788638	1.043083333	neg	"1,2-Bis(4-nitrophenyl)ethane"	70184	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C14H12N2O4	3.506359483	4611.548585	5161.584987	3850.646862	5826.661971	4512.184761	5121.550098	3060.942383	2881.744155	4208.274334	4702.612559	8058.324837	3262.217055	3090.320937	6623.890981	9199.981352	6948.372277	5112.870847	4727.542494	4936.96813
1.06_123.0442m/z	123.0442467	1.062216667	pos	"2,3,5-Trihydroxytoluene"	65957	Unclassified	Unclassified	Unclassified			37.7	0	M+H-H2O	C7H8O3	1.362288876	45065.06354	38884.2092	50394.87439	49275.83319	62022.92458	59999.25507	64284.48312	39373.43912	44382.81898	49426.40889	60118.64092	39709.09814	45660.66004	54370.2249	72188.35374	60541.47553	63786.54757	40016.65658	84892.05681
1.06_286.0556m/z	286.0556494	1.063433333	neg	"N-(2,3-Dihydroxybenzoyl)-L-serine"	66135	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C10H11NO6	-4.938752928	33555.88422	37514.48404	31711.46262	36471.91843	35512.05537	42691.34981	39030.18099	27065.26758	33831.00617	35016.52798	35820.66642	32400.54858	33187.90933	30332.83957	34564.61016	45534.66166	32740.15829	42386.98093	29096.28644
1.08_407.0890m/z	407.0890486	1.081483333	neg	DAF-2	64883	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C20H14N2O5	1.58560648	12469.58753	10652.56141	15171.96234	6318.221655	8382.778088	14878.57295	4533.255443	22659.99388	28368.36094	9292.203455	7156.721803	20962.70252	12322.78374	11474.34467	10105.99014	12970.04961	14018.56108	14312.11816	17071.75967
1.18_351.0778m/z	351.0778184	1.1797	neg	N-Carbamoyl-L-aspartic acid	3304	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00438	37.7	0	2M-H	C5H8N2O5	-4.396473802	14908.73282	10684.74931	13792.26933	15539.51183	15369.98306	11994.99708	11327.86446	12615.77743	13305.41034	14091.00395	15371.71595	11349.68609	15271.13183	15035.87228	12390.36048	11101.27561	13168.52753	14202.39107	16075.04743
1.20_147.0285m/z	147.0285362	1.199216667	neg	D-2-Hydroxyglutaric acid	HMDB0000606	Organic acids and derivatives	Hydroxy acids and derivatives	Short-chain hydroxy acids and derivatives	***	C01087	37.7	0	M-H	C5H8O5	-9.191945558	52653.8864	49557.57023	50331.19451	53105.00227	76571.71618	39329.96186	46362.89634	69460.66801	35555.56824	34746.03645	44750.18136	59825.70262	51504.76383	48091.30135	47557.11963	42231.31652	54343.24557	60368.26489	49736.24628
1.38_547.9675m/z	547.9675172	1.37855	neg	Gemcitabine triphosphate	HMDB0060638	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives			37.7	0	M+FA-H	C9H14F2N3O13P3	-2.861982527	2982.685867	3139.821505	2864.992558	4811.521201	3166.383554	4301.869806	4007.967057	1360.968958	1217.083021	5180.705326	4218.183138	2188.656776	4097.594888	2404.031108	3198.758105	4029.607428	3113.511155	3996.086795	3295.893747
1.38_588.1100m/z	588.1099623	1.37855	neg	CMP-3-deoxy-D-manno-octulosonate	63651	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C17H26N3O15P	2.956427915	1771.513071	1749.324947	1806.801033	1822.953736	1605.226245	2525.402552	2714.422146	591.1114242	134.6462683	2936.688094	1851.074174	449.6086644	1665.208024	1745.781084	1871.735865	1176.755674	1672.735332	1458.459214	3123.368529
1.40_200.1393m/z	200.1392606	1.396783333	pos	Gamma-glutamyl-L-putrescine	62876	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C15699	37.7	0	M+H-H2O	C9H19N3O3	-0.426827118	1549.418809	1910.868168	1766.798327	1363.433949	2346.662702	2079.452507	1295.266272	3088.950759	2696.103774	1838.171235	1210.528113	2227.483739	1483.440676	1484.983021	1533.113479	1485.030469	1565.409769	1558.681233	1568.01425
1.53_363.1218m/z	363.1217558	1.533166667	pos	p-Hydroxybenzyldesulphoglucosinolate	64527	Unclassified	Unclassified	Unclassified			37.7	0	M+NH4	C14H19NO7S	-0.848236528	6542.734287	7175.511338	6356.919445	7252.950959	4773.225647	7506.92804	5359.138043	3313.026995	2519.884996	5486.878017	8160.748711	4266.471192	9945.681841	9536.805832	12095.59178	11107.46159	6848.879269	6238.888455	9245.520317
1.63_187.1078m/z	187.1077953	1.633016667	neg	Actinamine	71786	Unclassified	Unclassified	Unclassified			37.7	0	M-H2O-H	C8H18N2O4	-4.951777271	783.9523187	779.9679	771.6210999	671.9989093	993.8554414	788.714564	1075.565855	531.7331742	355.4206251	1061.16613	663.0289067	530.4423145	995.8393137	933.7825319	903.7300035	749.2982005	825.3450182	678.6359547	960.280049
10.28_287.1336m/z	287.1335783	10.27795	pos	Nopaline	63474	Unclassified	Unclassified	Unclassified			37.7	0	M+H-H2O	C11H20N4O6	-4.6616791	590.9471007	716.2549441	580.1424561	808.4887517	1332.76679	595.8122423	907.3526169	2177.440926	2634.002463	665.8675822	405.8885456	2076.395416	960.7639874	1279.697596	1778.492727	945.9762717	1334.394701	1038.995806	959.2936407
10.28_504.3084m/z	504.3083952	10.2751	neg	PE(9:0/11:0)[U]	40491	Unclassified	Unclassified	Unclassified			37.7	0	M-H2O-H	C25H50NO8P	-2.231550353	1904.186946	1189.873834	1777.950322	1140.073614	2110.204165	1294.546225	1653.200351	2432.566789	3250.978392	693.4700802	916.8597719	3295.625337	1184.881686	1294.202409	2347.386285	1407.415541	840.4424141	955.9453807	2659.292497
10.30_299.1335m/z	299.1335231	10.29878333	pos	4'-N-desmethylolanzapine	HMDB0060959	Organoheterocyclic compounds	Benzodiazepines	Unclassified			37.7	0	M+H	C16H18N4S	3.451830563	2258.03457	2751.656374	2611.257866	3633.273178	3382.733361	4250.320366	2700.830627	2296.544471	3089.835326	2423.257183	2555.597503	3231.007222	2690.354281	3530.166857	3857.584144	3323.003929	3809.322211	3382.133118	3482.44765
10.30_302.1319m/z	302.1319045	10.29878333	pos	Melperone	96326	Unclassified	Unclassified	Unclassified			37.7	0	M+K	C16H22FNO	0.774583678	1672.662995	2387.846305	1779.409712	1971.555266	1728.187006	2312.207944	1906.174272	1562.596879	2078.725379	1631.308039	1847.29541	2407.353083	1707.628455	1674.491814	2545.100292	1912.880343	3199.753362	1756.099673	2346.660751
10.30_666.2453m/z	666.2453187	10.29878333	pos	"3,4,5-trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)oxane-2-carboxylic acid"	HMDB0127460	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37.7	0	M+NH4	C24H40O20	0.30779953	15833.40283	11475.50725	13981.21921	17499.64289	15986.97583	16395.00685	15051.33417	12755.46128	16966.3681	14344.85913	14464.72583	18937.53414	14334.37913	13656.13952	15905.56881	19707.71178	21811.85189	17331.43194	14827.52802
10.34_463.0023m/z	463.0023006	10.33883333	neg	"2,4-Dihydroxyacetophenone 5-sulfate"	96009	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			37.7	0	2M-H	C8H8O6S	2.71350825	12466.47077	11558.68079	12519.90245	13135.73514	12676.59649	13397.65997	13354.64416	12342.20416	11519.76056	12714.63342	12714.28298	13182.05681	13982.54593	12052.89648	13513.45885	13183.33254	13003.09128	13529.79605	12054.89869
10.47_529.2575m/z	529.2574699	10.46646667	neg	"6-N,4-diphenyl-1,4-dihydro-1,3,5-triazine-2,6-diamine"	96297	Unclassified	Unclassified	Unclassified			37.7	0	2M-H	C15H15N5	-1.404438426	2823.628985	2518.270017	2982.952074	3110.855585	5937.775085	5325.658629	1794.015245	3923.763583	2757.350641	3066.435692	2465.580511	1962.043731	1835.715333	2133.85239	2463.927442	2052.173001	2790.66128	2733.121761	2484.392374
10.57_658.3340m/z	658.3339672	10.57313333	neg	OHOOA-PS	LMGP20040031	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			37.7	3.4	M-H2O-H	C32H56NO12P	-3.254651759	9034.201671	6987.191459	8410.541916	11188.93422	13043.39726	11010.11302	10511.1557	5350.425921	8148.683907	6958.953194	9267.8125	9777.412072	14876.58637	11417.27056	10686.4722	9416.799852	10752.83452	7973.708696	13908.86907
10.61_727.0390m/z	727.0389853	10.61446667	neg	6-Thioinosine-5'-monophosphate	HMDB0060416	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides	**	C04646	37.7	0	2M-H	C10H13N4O7PS	-3.091929169	36345.09123	38740.20925	37213.29874	39041.82729	37449.59691	37773.38818	34014.50375	31922.53213	37052.26855	35689.80492	41157.80387	33741.16281	41752.54448	40501.76883	36981.83548	39030.81909	39512.34517	37286.74302	38977.59741
10.63_276.1226m/z	276.1226157	10.63191667	pos	"2,4,4'-Trihydroxydihydrochalcone"	LMPK12120606	Unclassified	Unclassified	Unclassified			37.7	2.41	M+NH4	C15H14O4	-1.62269267	8672.429728	7659.311288	8962.620647	11068.42263	8073.311754	8990.849972	8596.664118	4543.776573	6977.93286	8544.389201	7938.80642	5862.711801	9552.917353	9580.833119	8129.192292	9615.424747	9671.707985	8249.343487	9868.895894
10.74_619.2887m/z	619.2886845	10.74271667	neg	Demethylcitalopram	1782	Unclassified	Unclassified	Unclassified			37.7	0	2M-H	C19H19FN2O	-0.519060448	612247.5834	582300.5854	617258.6054	716928.6624	799859.7612	674024.6113	745014.6682	410885.4804	545246.1877	695566.1827	785621.6779	633188.8274	937492.6797	1017074.536	757596.1234	803215.1395	741786.8219	778126.3693	871240.0359
10.74_709.1626m/z	709.1626251	10.74271667	neg	Apigenin 6-C-glucosyl-7-O-(6-malyl-glucoside)	LMPK12110316	Lipids and lipid-like molecules	Polyketides	Flavonoids			37.7	8.62	M-H	C31H34O19	0.665510532	20412.10762	19587.56441	22291.25482	22586.4693	20261.74061	21529.26855	20380.01069	24551.72978	22453.36286	23168.71785	24203.16048	20021.31765	20684.58391	21007.13448	21120.45708	20926.10573	21712.18791	21341.78847	21150.91264
10.78_431.3149m/z	431.3148547	10.7763	pos	"MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)"	62343	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	*		37.7	0	M+H	C27H42O4	-1.700177387	3956.010141	3569.742033	4133.983161	3237.531032	6580.783285	4348.309704	3053.352341	2802.287078	1443.488251	5280.825202	3606.181006	1068.038681	3760.10086	3385.83091	5798.588453	6607.27832	4950.941724	6088.171948	4415.146917
10.92_504.4039m/z	504.4038949	10.92275	pos	"3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al"	93940	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cucurbitacins	*		37.7	0	M+NH4	C31H50O4	-1.72852333	5215.284815	5813.003939	5197.019327	2848.102487	4715.3796	7908.35329	4713.491878	10285.15654	9412.191521	10833.51659	2114.122129	3611.377793	4946.573193	648.6036893	3207.374248	1839.662631	4570.468591	4720.952108	3034.996777
10.94_377.1614m/z	377.1613917	10.94183333	pos	Penthiopyrad	72288	Unclassified	Unclassified	Unclassified			37.7	0	M+NH4	C16H20F3N3OS	-0.979533959	7246.904258	5977.179331	6926.768865	5636.217683	4356.88009	8757.121491	6394.736473	9723.649853	4496.94827	7386.524449	6190.11802	12405.8453	3671.962051	2603.531435	7711.730115	9319.608303	11185.82863	12294.84548	10205.84686
11.00_512.3355m/z	512.3355314	10.99718333	neg	PC(O-14:0/O-1:0)[U]	40196	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C23H50NO6P	-0.527207895	2382.596671	2019.871764	2430.125144	2585.935505	2607.430297	3292.408526	3731.925315	409.3293984	651.5415895	2115.687497	2586.813125	846.7837368	2823.298548	3706.142363	1998.103988	2327.101166	1763.948059	1329.963903	3017.853261
11.11_632.2612m/z	632.2612008	11.10751667	pos	Integerrine	68086	Unclassified	Unclassified	Unclassified			37.7	0	M+K	C35H39N5O4	-3.644088773	51763.76991	34497.43796	51412.59574	56536.62384	52561.48913	51655.17182	51428.16152	57856.89183	46333.68211	48521.4499	53156.46722	31944.93941	36766.09105	44394.25028	37478.60912	42985.23425	46898.74573	58097.34301	51891.51084
11.30_478.2936m/z	478.2936112	11.29551667	neg	LysoPE(0:0/18:1(11Z))	HMDB0011475	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		37.7	0	M-H	C23H46NO7P	-0.629783104	1252.316497	1799.152899	1724.305183	1297.810751	2131.237402	1597.351675	1399.145389	735.8924934	841.2794708	892.3647458	845.0112957	1221.643602	1898.785691	2025.193335	1801.059251	1750.756772	1610.85183	1522.782351	1694.447095
11.34_428.2804m/z	428.2804012	11.33778333	neg	UCM707	45375	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C25H37NO2	-0.602922032	523.2920758	505.6995947	610.9177322	1200.121055	712.0054599	545.5012327	596.7887857	555.5422308	702.9549042	453.9335029	729.3917571	1113.776878	461.0726739	599.9051895	798.6489085	1159.388785	464.1897626	1020.410372	726.5773302
11.40_404.2804m/z	404.280406	11.4019	neg	Type IV cyanolipid 18:2 ester	LMFA07030007	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			37.7	0	M+FA-H	C23H37NO2	-0.629976229	310.4364733	508.6585846	573.6498812	841.0412657	419.2973941	784.1781898	397.0553171	455.3414552	528.8647499	397.722264	588.0507163	1528.632827	583.885313	593.4565293	520.4324707	1079.2991	890.1132256	1119.946419	548.9315064
11.40_574.3860m/z	574.3859829	11.3976	pos	PC(O-18:0/2:0)[S]	40121	Unclassified	Unclassified	Unclassified			37.7	0	M+Na	C28H58NO7P	3.033018694	5936.173381	6730.774469	6312.406959	9479.713321	5250.341828	5850.169591	9652.303507	4152.114112	6089.789179	5041.46732	7555.032364	7399.478255	9061.332664	9684.985277	10443.47705	7902.494839	7373.793507	7342.001806	9066.545509
11.48_311.1531m/z	311.1531379	11.48118333	pos	BIFONAZOLE	43556	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes			37.7	0	M+H	C22H18N2	-3.666336108	20384.32924	17878.54452	18138.85757	24918.675	18540.38591	17818.1708	19760.61127	14281.17224	13522.41271	15323.23157	16671.72112	18759.15505	21042.43357	19029.38345	22265.15608	22959.76548	17864.94786	19726.57384	21932.68565
11.49_309.1739m/z	309.1739343	11.48636667	neg	8-O-Methyloblongine	90043	Organoheterocyclic compounds	Isoquinolines and derivatives	Benzylisoquinolines			37.7	0	M-H2O-H	C20H26NO3+	1.54406008	47905.70315	47863.53514	47656.15858	33146.45066	35767.97631	32727.83827	37434.45707	33352.56748	35564.80462	32554.04414	40337.62691	34656.02899	31734.35378	60914.23034	33011.34695	32585.79045	40291.79472	49573.62908	36350.69869
11.58_311.1613m/z	311.1612764	11.58355	pos	"2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone"	HMDB0060353	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	**	C17561	37.7	3.5	M+Na	C18H24O3	-1.696611396	68442.7041	52232.6426	69693.23254	69824.18053	63417.05179	66236.09566	71764.66767	55002.81596	59308.92527	54741.39794	70311.98721	54578.01913	58004.84397	63739.41535	65615.11724	65995.20855	73073.0671	66453.97522	66171.89697
11.69_311.2127m/z	311.2127134	11.68771667	pos	(-)-Abietadiene	41252	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids	**	C11878	37.7	0	M+K	C20H32	-3.106210867	4463.741174	3252.325769	3665.002209	3977.092133	3837.57562	3852.314436	3782.521348	4017.91189	3993.888989	3213.945336	3733.088106	3516.495802	3903.0874	2838.322866	3578.862089	4075.374398	4095.959556	4074.456618	4202.398524
11.74_368.2802m/z	368.2801841	11.74108333	neg	O-(2-tetradecenoyl)carnitine	HMDB0062588	Organic acids and derivatives	Hydroxy acids and derivatives	Beta hydroxy acids and derivatives	*		37.7	0	M-H	C21H39NO4	-1.213694509	886.5876278	889.0045188	620.0094497	971.1888149	801.1504583	719.9122566	537.2369366	1281.02934	1069.557645	506.9001976	783.0062861	1521.904053	757.3481831	813.3094286	689.9448791	879.3335747	903.105218	1055.728326	747.6020007
11.95_582.3777m/z	582.3777216	11.95288333	neg	LysoPE(0:0/22:0)	HMDB0011490	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		37.7	0	M+FA-H	C27H56NO7P	0.146940938	2782.733474	2304.504146	2507.595624	3047.845657	2122.77861	3169.143725	2959.511826	1413.511566	1286.48785	1903.97972	2794.093071	1930.931818	2136.850972	1664.428459	3681.327738	3544.677231	3702.00496	4195.093626	1473.278526
12.14_377.1423m/z	377.1423081	12.14313333	neg	α-Guanidinoglutaric Acid	44815	Unclassified	Unclassified	Unclassified			37.7	0	2M-H	C6H11N3O4	-0.8652209	1621.870861	2303.863729	2151.659925	1511.37083	4053.886424	2384.598958	1304.352913	5115.503736	7157.142172	2366.308549	1545.201637	3149.746893	2242.007637	1747.730142	1902.849974	1365.186906	1469.766666	1579.835844	1588.59327
12.19_327.1267m/z	327.1266559	12.18593333	neg	Lepidine B	88645	Benzenoids	Benzene and substituted derivatives	Diphenylethers			37.7	0	M-H2O-H	C20H18N4O2	4.394551786	10393.31515	16443.74252	15879.93458	12694.09234	24632.31713	11879.94247	13005.29629	18743.58769	27573.90806	10749.62711	13148.3422	19777.65802	22664.92122	15758.74711	11251.21641	10420.54444	9430.080386	10516.79698	17404.33352
12.30_371.2269m/z	371.2268607	12.30358333	pos	Fortimicin KR	71973	Unclassified	Unclassified	Unclassified			37.7	0	M+Na	C15H32N4O5	1.062072211	26914.47418	22330.5106	24374.46841	27025.05363	23297.35463	25619.60306	26842.77582	26502.47082	26700.55614	28124.97404	24378.40627	27317.9353	23555.86041	22026.95748	24792.43073	28810.06246	26125.48497	28161.97363	25326.4143
12.33_297.2432m/z	297.2432398	12.33163333	neg	13-Heptadecyn-1-ol	HMDB0013813	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		37.7	0	M+FA-H	C17H32O	-1.105033903	3928.063533	4667.90815	4192.949852	3360.54607	4403.479913	3771.872775	3395.084513	3555.541598	3010.254283	4481.881482	3364.741285	3815.758149	4569.091082	3920.651589	3777.217364	3979.684878	3409.186485	3644.591592	3419.198945
12.35_535.1378m/z	535.1378084	12.35293333	neg	Formononetin	HMDB0005808	Phenylpropanoids and polyketides	Isoflavonoids	O-methylated isoflavonoids	***	C00858	37.7	0	2M-H	C16H12O4	-3.79158059	3284.732309	2127.013149	3762.715766	3377.340938	3373.905811	3517.300472	3483.714368	3577.171497	3499.205891	2520.520656	4028.341544	3609.70102	4027.701987	4086.055337	3598.627843	2901.778482	3207.434767	3168.329869	3138.388565
12.46_450.3013m/z	450.3012502	12.45915	neg	1-(2-methoxy-hexadecanyl)-sn-glycero-3-phosphoethanolamine	LMGP02060016	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			37.7	0	M-H2O-H	C22H48NO7P	4.798121133	1544.1391	1071.131271	1622.086812	3224.616467	1769.184682	1670.441906	1210.855551	2202.674297	1295.45352	776.4706191	2262.972083	4398.523518	1555.076814	2152.501808	2549.677001	3064.656321	2141.150698	3354.39704	1562.608992
12.52_618.4710n	619.4782586	12.5221	pos	"1-(O-alpha-D-glucopyranosyl)-3-keto-(1,25R,27R)-octacosanetriol"	LMFA13010023	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides			37.7	0	"M+H, M+Na"	C34H66O9	0.482544289	50227.34141	39345.87563	55407.21599	77967.81792	25738.80635	37289.2197	79179.48502	20872.27338	50283.52584	40745.75132	68093.64244	73568.68989	62951.99578	79598.7347	42668.0547	25932.41692	36022.81257	26517.16212	84585.07759
12.56_339.0264m/z	339.0264475	12.56431667	neg	Diethylthiophosphate	HMDB0001460	Organic acids and derivatives	Organic thiophosphoric acids and derivatives	Thiophosphoric acid esters		C06607	37.7	0	2M-H	C4H11O3PS	1.235936163	808.2375183	771.5058704	526.9262238	965.4294127	149.5593118	235.4102282	1057.157994	702.5900285	351.4935178	1139.69541	734.2476072	358.6513907	323.3946829	491.5377167	456.6159613	574.4205302	0.000297236	660.8351037	570.287196
12.87_816.6998m/z	816.6997701	12.86786667	pos	Levothyroxine sodium anhydrous	66850	Unclassified	Unclassified	Unclassified			37.7	0	M+NH4	C15H10I4NNaO4	-3.380052408	188493.2037	181481.5062	270499.0481	260968.0406	225600.7208	236825.0555	245398.5533	216201.4873	203637.979	200145.4531	173185.5909	172398.0808	206796.7515	205285.2996	203221.7851	243738.6282	305928.5329	313385.842	302085.9112
12.92_340.2853m/z	340.2852655	12.91935	neg	Stearoylglycine	HMDB0013308	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.7	0	M-H	C20H39NO3	-1.324886427	1727.433016	1363.545291	1549.831772	2039.379197	1702.084244	2524.48394	1756.969205	1042.759599	1088.13482	1634.340333	1632.454997	1825.740741	1970.569806	1846.424296	1832.345789	1981.486307	2217.799264	2899.944231	2025.506375
13.05_370.2417m/z	370.2417262	13.0464	neg	N-oleoyl taurine	44908	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			37.7	0	M-H2O-H	C20H39NO4S	-1.059516857	1310.536061	1657.172316	1859.797679	2100.770542	1853.97037	2605.553277	1810.727751	0.000297236	473.8115495	1664.309813	1734.032801	1216.583044	1843.54203	2039.423927	2177.834687	1845.736507	1894.036493	1603.196646	2742.656552
13.45_317.3044m/z	317.3044013	13.45428333	pos	"1,2,4-Nonadecanetriol"	88195	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		37.7	0	M+H	C19H40O3	-1.961125424	3745.615557	3203.351952	2460.897674	4178.995428	4409.423528	4901.581929	3422.483944	4032.51	1554.544696	4087.808599	5787.39588	4494.04744	3381.084029	4931.674191	2931.562687	2763.830115	2823.191672	3588.118785	4913.477964
15.53_161.0818m/z	161.0817503	15.52508333	pos	Phenylethanolaminium	HMDB0062626	Organic nitrogen compounds	Organonitrogen compounds	Amines			37.7	0	M+Na	C8H12NO+	4.638966779	14838.20501	13050.32803	15534.73176	15512.41594	15053.83689	14087.23276	14285.27493	13510.13352	15060.124	14207.0362	13737.67665	13019.11751	12875.84343	13146.74771	14013.45477	15206.41941	14532.34459	16009.91521	13271.48351
15.76_149.0595m/z	149.0594948	15.75651667	pos	Ethyl 2-furanacrylate	95984	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.7	0	M+H-H2O	C9H10O3	-1.271590807	4890.350515	5161.823377	4890.403076	5090.96501	5508.083185	5119.242852	5149.993246	4974.829144	5569.765503	5409.288121	5766.36544	5619.800015	4897.118305	5326.447762	5250.389764	5166.502943	5012.1781	5373.867583	5105.889901
15.76_181.1219m/z	181.1218837	15.75651667	pos	5-pentylresorcinol	LMPK15030008	Lipids and lipid-like molecules	Polyketides	Phenolic lipids			37.7	0	M+H	C11H16O2	-2.345764498	5406.238455	6437.053721	6228.344553	6893.510895	6556.213696	5847.484953	6279.922736	6448.054685	6492.003749	6109.98984	7133.317143	6494.459592	6557.551917	6540.48862	6173.271359	6430.734196	6969.052406	6128.369078	5609.463146
15.78_155.0700m/z	155.0699746	15.77676667	pos	(-)-Corey Lactone Diol	63035	Unclassified	Unclassified	Unclassified			37.7	0	M+H-H2O	C8H12O4	-1.720370053	5129.997293	4828.331656	4385.369186	5563.664662	5390.307058	4892.952963	5420.269513	5654.318361	6217.446067	5382.277455	6147.620735	4806.455177	4849.736496	4924.530238	4964.852192	5107.087108	4437.195566	5660.808201	4862.58492
15.78_205.1947m/z	205.1947266	15.77676667	pos	(+)-aristolochene	LMPR0103270003	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids	**	C02004	37.7	0	M+H	C15H24	-1.717048205	6745.748786	6318.676555	6663.013602	7017.253426	7627.609496	7368.215203	7049.675473	7078.713649	7751.597885	6635.512891	7202.850219	6637.524129	7080.441918	6123.95801	6762.366216	7194.792388	6827.649468	6073.043883	6941.765713
2.05_555.0946m/z	555.0945642	2.054766667	neg	2-O-[2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl]-3-phospho-D-glycerate	73364	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C15H27O17P	-4.361343445	41613.14477	48437.97874	50326.21031	48812.49245	45171.70503	41733.38976	49249.40462	44596.32525	43289.336	46640.75698	50424.10253	41547.41262	48284.25004	47106.83295	44171.40926	44150.06749	50421.08331	48211.92434	48626.43846
2.44_284.0561m/z	284.0561097	2.437316667	neg	NSC 210902	45322	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C14H9NO3	-1.407010797	556.7954251	590.3857066	559.0400391	954.3332611	865.8654959	828.2263985	1002.54215	755.6014186	1407.661053	1019.581875	847.4118562	424.2015257	689.1599565	520.9724417	834.4775447	529.5216142	568.370528	644.146609	749.3370109
2.53_186.1123m/z	186.1122648	2.5283	pos	Ecgonine	64444	Alkaloids and derivatives	Tropane alkaloids	Unclassified		C10858	37.7	0	M+H	C9H15NO3	-1.107505606	583.6134534	515.7444406	651.6841068	417.4639473	492.059276	571.0751354	475.9334614	438.2333968	599.2700842	581.7830403	604.6022099	526.176783	398.7679939	501.4222482	424.749184	720.8108375	355.9046385	431.3430963	457.7049172
2.69_201.1235m/z	201.1234916	2.6907	neg	Alanyl-Leucine	HMDB0028691	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.7	0	M-H	C9H18N2O3	-4.820803461	632.1632693	711.4731785	628.6737485	476.9057076	1031.502191	585.7038253	900.1181292	259.4398137	183.7636848	1047.966723	541.3930724	228.0458908	853.0369342	921.1221885	794.7891132	668.1950823	804.1543596	431.8545113	829.8481927
2.75_439.0556m/z	439.0556317	2.754933333	neg	Mirin	44842	Unclassified	Unclassified	Unclassified			37.7	0	2M-H	C10H8N2O2S	3.661073876	9862.195529	9544.728415	9381.762888	12654.47359	8491.792176	10443.58385	10667.38183	7834.673129	8607.764581	10185.8342	10390.24984	9119.267973	10915.51314	9859.64979	9235.290718	9720.55813	9053.372033	11551.84648	10748.3266
3.06_213.1847m/z	213.1847315	3.059866667	pos	Citronellyl propionate	HMDB0037226	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		37.7	0	M+H	C13H24O2	-0.824681038	4839.411771	4699.073262	5318.607053	4873.283701	4702.690802	5049.545978	4561.348148	4919.956278	4999.116935	4823.465718	4824.435667	5034.654012	4969.802522	5237.545571	5830.191145	4485.991551	5390.984327	5633.086515	4857.511136
3.07_246.9914m/z	246.9913805	3.073216667	neg	4-Sulfobenzoate	65735	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C7H6O5S	-2.062924052	594.7115683	782.425533	693.4640656	894.0522027	948.1988476	573.788449	730.0089659	1575.951123	1040.787277	714.7203345	433.049437	928.8307447	706.9762031	528.3513005	768.7265788	366.6766398	499.7213018	310.0405332	682.5169128
3.15_362.1820m/z	362.182018	3.150516667	neg	Isopentenyladenine-9-N-glucoside	HMDB0012240	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37.7	0.507	M-H	C17H25N5O4	-3.744181558	2025.861157	2113.798353	2351.939016	1919.5681	2369.699111	4942.062163	1683.308896	4818.52444	4345.819873	3372.161896	1976.636583	3840.40452	881.3671669	725.7683226	931.156596	1324.671061	951.2026928	863.90392	1305.283816
3.56_157.0761m/z	157.076081	3.556983333	pos	3-Indoleacetonitrile	3278	Organoheterocyclic compounds	Indoles and derivatives	Indoles	**	C02938	37.7	0	M+H	C10H8N2	0.360734733	698.6098536	858.478381	1040.505326	700.0911374	850.1646625	593.4180659	809.6403104	750.0955572	274.5719006	802.0334042	864.038151	741.2774334	808.5344578	645.4495767	350.3408391	838.7975819	402.851211	556.0850705	888.5769671
3.66_102.0553m/z	102.0552517	3.65905	pos	L-Homoserine	HMDB0000719	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00263	37.7	0	M+H-H2O	C4H9NO3	2.492863567	1124.410731	930.6669967	1043.644833	1137.397546	1234.858755	1012.222758	1031.759975	1179.895471	777.9394656	979.3750518	1134.129375	1022.811466	1136.852129	1100.781542	891.30713	1323.205608	777.2182958	1070.59623	1139.419456
3.68_431.2132m/z	431.2132326	3.678166667	pos	17-phenyl trinor Prostaglandin F2α-d4	96575	Unclassified	Unclassified	Unclassified			37.7	0	M+K	C23H28D4O5	-0.016740043	7452.50359	9430.288088	7691.341193	11752.70637	5361.596318	4103.462143	10028.68835	740.4145411	4028.245075	6089.704313	8923.206535	8959.067288	11066.71306	9664.80457	9274.54069	10686.11618	9409.769911	10677.23186	10814.86899
3.74_624.3177m/z	624.3176914	3.742016667	pos	Proansamycin X	LMPK05000006	Lipids and lipid-like molecules	Polyketides	Ansamycins and related polyketides		C12176	37.7	9.71	M+H-H2O	C35H47NO10	1.53270618	11450.80569	12995.45811	12717.38294	12210.01008	14018.65644	14161.27175	21266.5351	5900.550693	6954.643127	14668.0955	14934.85572	4994.33548	20914.24764	17518.91256	12480.99553	10032.23049	13019.01987	8570.431079	17159.75182
3.85_540.2563m/z	540.2563265	3.850883333	neg	PS(16:1(9Z)/0:0)	LMGP03050010	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			37.7	0	M+FA-H	C22H42NO9P	-3.220428598	1147.275414	1111.79066	1103.517985	1402.958956	828.5590745	1037.344241	1266.223562	1256.383493	1024.83466	1005.794281	1083.637919	1516.553119	1336.360333	1063.666278	915.4819448	1342.252042	1008.455661	837.6596057	957.3600178
3.89_159.0843m/z	159.0843277	3.892883333	neg	Methional diethyl acetal	HMDB0041608	Organic oxygen compounds	Organooxygen compounds	Ethers			37.7	0	M-H2O-H	C8H18O2S	-3.268011957	1097.087199	991.2464238	1026.69586	959.9120483	1450.400414	500.4849236	1049.787266	2566.788636	1632.061158	732.0569669	798.6721425	969.1475517	1006.71033	1220.445288	728.5036409	517.8129901	1483.106801	928.3264795	921.6821992
3.89_197.1285m/z	197.128529	3.890083333	pos	Fusaric acid	68152	Unclassified	Unclassified	Unclassified			37.7	0	M+NH4	C10H13NO2	0.417549805	216.3218777	214.6549678	232.4484653	0.000297236	414.1410564	1201.555515	56.46197766	37.78184481	42.87466805	1497.810175	41.21482751	43.82741531	0.000297236	0.000297236	53.77315656	0.000297236	132.0369388	70.94395906	0.000297236
4.02_200.0471m/z	200.0471333	4.0166	pos	Tryptophanol	HMDB0003447	Organoheterocyclic compounds	Indoles and derivatives	Indoles	**	C00955	37.7	0	M+K	C10H11NO	-0.551218318	2494.348329	2155.44224	2032.239574	2209.964655	2110.353698	2052.733858	1860.148392	1521.144322	1671.075728	2141.1783	2349.100569	1741.431457	2402.551414	2099.089319	2339.394996	1982.627914	2339.450887	2197.851856	1979.782818
4.02_301.1192m/z	301.1192022	4.0166	pos	homosalate	4065	Unclassified	Unclassified	Unclassified			37.7	0	M+K	C16H22O3	-3.244079046	2947.305064	3351.470976	2497.25621	2781.754594	1657.745966	4065.694375	4330.671703	7689.956727	8918.313684	3314.933473	2706.519145	1672.546091	2907.267906	2005.926537	2263.658003	2110.687518	2491.256221	1306.24035	1636.658972
4.04_523.0846m/z	523.0846167	4.038033333	neg	Sorbitol-6-phosphate	HMDB0005831	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C02810	37.7	1.09	2M-H	C6H15O9P	2.20527143	6967.263918	8479.517554	8720.164039	8040.837321	7600.325793	9140.998533	6614.559967	6679.217299	8689.641995	8376.312711	7230.388572	5413.45249	6414.706478	6296.069523	7213.165206	6613.727111	6712.196505	8082.786818	7417.956007
4.16_177.1273m/z	177.1272988	4.1621	pos	3-(4-Isopropylphenyl)propanal	91320	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.7	0	M+H	C12H16O	-0.526911439	1438.924741	1470.539478	1521.958002	1459.033526	1285.549879	1361.203243	1252.109711	1420.932642	1510.200184	1441.832649	1446.341851	1355.908839	1422.073651	1412.180898	1411.961887	1386.738558	1466.689229	1553.87875	1301.652333
4.16_201.1123m/z	201.1122914	4.161483333	neg	R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl	HMDB0031510	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.7	0	M-H	C10H18O4	-4.65692201	581.9556803	481.8030511	549.1638355	425.7799682	538.458996	483.5807497	381.961733	1675.17941	887.475342	455.2622997	407.2996768	603.5431735	428.5384887	475.3774631	519.032244	383.7376038	400.4998597	505.6303744	369.3269736
4.29_197.0809m/z	197.0809426	4.288083333	neg	"3,4-Methylene suberic acid"	HMDB0059768	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.7	0	M-H	C10H14O4	-4.997445648	663.9637871	882.5548894	742.5614784	644.688627	693.0288946	595.5888819	705.8069724	378.3563175	489.6934808	516.3971613	560.6381183	699.7929643	741.0881444	592.471294	605.5190268	485.944507	520.7241519	488.3931025	541.0135133
4.53_330.0532m/z	330.0531788	4.532133333	pos	5'-Hydroxypiroxicam	HMDB0014096	Organoheterocyclic compounds	Benzothiazines	Unclassified			37.7	0.903	M+H-H2O	C15H13N3O5S	-3.240026399	2492.379985	2331.023452	2269.467642	5421.393158	1940.726827	1484.142071	2690.552315	2910.495775	2763.330865	1075.217118	2506.081478	3872.607991	2158.43515	2280.902024	2662.927273	2840.908287	4180.045977	3444.103096	1674.278198
4.69_207.0113m/z	207.0113469	4.689533333	neg	1-Naphthalenesulfonic acid	71143	Unclassified	Unclassified	Unclassified			37.7	0	M-H	C10H8O3S	-3.806221101	348.038886	341.7873238	379.5439768	197.493947	181.2578503	125.5964214	208.406297	124.1131044	197.094368	89.25447981	167.2050329	253.5096414	160.5727746	268.9819913	136.1621355	167.1436537	2522.438547	549.9189249	292.5140156
4.83_248.1322m/z	248.1322101	4.832016667	neg	9-Methylthiononanaldoxime	64519	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C10H21NOS	-1.861038116	433.6652454	465.7435988	532.4225443	562.9149032	502.2215489	595.7679454	614.3963665	918.7914207	715.3949943	621.0382231	563.1398957	686.472728	275.469786	309.1730873	494.7683145	520.3240069	522.3580408	431.6244448	234.6830843
4.84_250.1468m/z	250.1467869	4.83885	pos	2-Oxo-10-methylthiodecanoic acid	64510	Unclassified	Unclassified	Unclassified			37.7	0	M+NH4	C11H20O3S	-1.525800912	1511.075713	1463.6954	1728.558061	1292.324936	1315.406584	1672.122838	999.647214	2438.235454	1700.531597	2331.242877	1184.158387	2790.539557	975.0424076	1045.704179	1661.14914	958.5307463	1346.459128	1164.813478	823.7107754
4.91_444.0475m/z	444.047535	4.91215	neg	Chondroitin sulfate	HMDB0000580	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00607	37.7	6.58	M-H2O-H	C13H21NO15S	4.721043861	1664.441983	2049.814752	1625.161488	1060.646571	2935.71662	1098.949193	1361.199155	2652.226364	2797.366782	1430.206516	1952.448514	1666.866379	1779.059799	2666.73355	2278.599734	1540.798254	2263.594063	1834.201761	1900.014018
5.00_314.1045m/z	314.10448	4.996833333	neg	"(2E)-N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(4-hydroxyphenyl)prop-2-enimidic acid"	HMDB0136318	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			37.7	0.504	M-H	C17H17NO5	3.43942793	669.1646042	752.7804798	701.0531464	317.3230102	1209.345484	622.0597203	873.4452829	165.293851	272.2685378	899.8958179	533.7060332	221.5171301	576.7730644	620.1437412	668.2226441	839.7752163	555.8815404	398.6896493	520.3511578
5.04_196.0969m/z	196.0969024	5.038466667	neg	1-hydroxyoct-6-enoylglycine	HMDB0094736	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.7	0	M-H2O-H	C10H17NO4	-4.715896943	175.2602305	222.9823524	176.0834694	181.3887585	0.000297236	61.17619647	81.81845274	601.3553736	713.8937828	0.000297236	87.61717292	305.6458993	23.41413587	19.29620841	103.1961793	85.82331882	144.662754	90.76072748	31.10447495
5.06_426.2050m/z	426.2050004	5.061983333	pos	17-phenyl trinor PGF2α amide	36178	Unclassified	Unclassified	Unclassified			37.7	0	M+K	C23H33NO4	2.282141439	1061.288877	1284.940758	1208.8834	1903.524963	1039.453551	1265.489016	1829.50846	0.000297236	0.000297236	1055.712505	1003.145568	0.000297236	183.2504768	215.8201917	7448.404564	1605.48827	2087.170732	4339.329882	1403.097219
5.08_207.0629m/z	207.062908	5.081633333	neg	Glycyl-Serine	85759	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.7	0	M+FA-H	C5H10N2O4	4.000222977	103.8332637	159.2113113	164.3960223	117.287391	179.2562402	72.42423272	79.50577665	634.5697516	280.4106279	77.03607974	66.21949972	114.7341866	128.9523214	145.4889933	112.840588	29.55084142	104.4260344	137.9191038	115.0822061
5.19_196.0969m/z	196.0968873	5.189216667	neg	1-hydroxyoct-5-enoylglycine	HMDB0094735	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.7	0	M-H2O-H	C10H17NO4	-4.786370079	554.8455236	656.1548734	589.1133111	680.7594008	745.9096171	797.9375212	784.3995094	687.8431722	860.3195086	724.9782708	695.8038459	723.7039851	434.1826984	840.1118412	709.9571257	430.6706924	635.2269879	434.9345237	625.8274138
5.22_308.1825n	331.1720886	5.221116667	pos	"(R)-1-O-b-D-glucopyranosyl-1,3-octanediol"	HMDB0029362	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		37.7	4.24	"M+NH4, M+Na"	C14H28O7	-3.269836317	2004.493248	1962.329074	2045.885794	804.8833746	3983.866757	1586.777834	3351.818445	6557.565002	1610.387557	1552.415756	2022.145831	2873.734156	1092.36161	4222.559333	1214.408499	4949.98561	2028.507614	1454.61868	5340.771504
5.46_155.0700m/z	155.0699656	5.458316667	pos	3-hydroxy-phenylglycol	733	Unclassified	Unclassified	Unclassified			37.7	0	M+H	C8H10O3	-1.979551576	1700.70379	1605.502676	1659.356864	1676.777202	1506.253698	1644.92258	1564.308148	1765.554259	1722.811399	1862.410272	1750.356034	1563.614332	1618.73736	1480.108839	1764.37859	1713.482831	1494.307853	1653.676386	1597.362325
5.46_176.0704m/z	176.0703781	5.458316667	pos	5-Hydroxyindoleacetaldehyde	HMDB0004073	Organoheterocyclic compounds	Indoles and derivatives	Hydroxyindoles	**	C05634	37.7	0	M+H	C10H9NO2	-1.296115978	729.7775232	645.6638874	732.7434191	630.0250156	690.0633525	1049.339299	718.9767889	1021.109906	987.6715027	791.0649348	695.1696352	726.1739385	470.8724528	667.1121616	640.1204304	726.8985167	637.1661337	631.5903956	698.8017729
5.48_317.1143m/z	317.1142645	5.4788	pos	"4-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,2,3,5-tetrol"	HMDB0133084	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	*		37.7	0	M+K	C16H22O4	-2.526676997	4644.867103	4485.406606	5189.941845	4402.147938	5164.252168	5044.932778	4664.009941	5112.888985	4922.008198	5078.135615	4814.381646	4442.071264	4172.162684	4824.746126	4782.95935	4349.273325	4078.621361	5041.911727	4338.761842
5.50_418.2447m/z	418.2446826	5.501433333	neg	LYSYL-TYROSYL-LYSINE	43913	Unclassified	Unclassified	Unclassified			37.7	0	M-H2O-H	C21H35N5O5	-2.962858215	464.4926293	598.3221659	513.7316388	412.0148353	305.1825548	1513.198106	322.8694116	311.8299915	1629.583744	1154.3291	803.7627961	2049.535305	0.000297236	61.09256853	0.000297236	240.5053911	177.1442146	332.4562297	134.9379678
5.66_510.2529m/z	510.2528891	5.662716667	neg	Glycochenodeoxycholate-3-sulfate	HMDB0002497	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	***		37.7	0	M-H2O-H	C26H43NO8S	-0.39324685	4041.427855	3470.566765	3880.053787	1733.674721	7035.545127	540.4163892	2892.790251	5394.357592	7752.856895	773.1389836	3473.159636	1345.478797	2899.703819	3078.506159	8656.608161	5454.237907	3660.939385	6325.663	3359.76863
5.66_593.3326m/z	593.3325818	5.65875	pos	Epoxomicin	45091	Unclassified	Unclassified	Unclassified			37.7	0	M+K	C28H50N4O7	2.658434078	12621.91648	11300.27095	10126.95142	12840.15502	8943.248728	7454.803221	12289.86945	0.000297236	0.000297236	9726.566799	7335.071682	1697.588792	4207.213269	4001.164684	56201.14606	8636.719088	9805.803782	32448.69204	13651.14979
5.79_528.2635m/z	528.2635398	5.79205	neg	"N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine"	HMDB0002409	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		37.7	0	M-H	C26H43NO8S	-0.230668636	5762.863145	6706.471768	6375.280681	652.6868456	3262.58496	2148.197235	3994.774987	32300.93759	34163.961	2045.468214	2936.342127	24852.90542	1497.676219	899.088614	497.5987778	145.6946195	850.0778293	338.6859254	634.5994857
6.26_244.1539m/z	244.1539094	6.261333333	pos	"3,4-Methylenesebacic acid"	HMDB0059729	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.7	0	M+NH4	C12H18O4	-1.880287606	1726.017762	1718.337826	1759.844294	1200.502419	2243.639622	1990.512466	1022.22663	3904.358892	3311.736561	2240.19756	1229.308391	1943.436518	1338.496489	1695.19193	1355.298534	947.2310559	1443.503716	1103.355717	1203.25305
6.34_229.1431m/z	229.143143	6.341866667	pos	2Z-Dodecenedioic acid	LMFA01170033	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.7	0	M+H	C12H20O4	-1.282158854	4726.956147	4264.591664	4614.135875	4563.992413	4281.478588	4762.173865	4609.882211	4211.612616	4377.244406	4680.84254	4623.030186	4645.91848	4563.70173	4652.036413	4538.092504	4854.202904	4628.806271	4733.866459	3766.555604
6.54_311.1863m/z	311.186344	6.54035	neg	Tetranor 12-HETE	HMDB0060055	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.7	0	M+FA-H	C16H26O3	-0.201080783	569.1339875	809.290367	593.0865574	595.2672623	247.0596179	625.7830387	528.8565368	276.9248512	292.9068941	277.9775263	959.7344204	1031.910659	162.1320775	725.8926606	537.5870562	712.1305194	655.1137908	321.1560406	386.7451978
6.57_201.1123m/z	201.1122823	6.565933333	neg	3-Methylazelaic acid	HMDB0059754	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.7	0	M-H	C10H18O4	-4.70193316	709.431526	812.1795859	750.3938842	670.8576102	783.2555794	1080.458919	597.2295528	662.0168114	843.5793048	878.7889837	690.8830135	551.4337145	614.9397921	686.5875448	607.8545838	543.7084493	559.9700722	584.07773	675.1720758
6.70_351.2175m/z	351.2175483	6.703616667	neg	11β-Hydroxyisoandrosterone	41834	Unclassified	Unclassified	Unclassified			37.7	0	M+FA-H	C19H30O3	-0.487720454	733.8966231	684.26213	601.1645275	893.322079	507.675362	1134.840419	447.4143749	728.8489081	324.2876103	651.3935821	695.229715	362.7249694	860.1199587	723.7751122	459.5264765	630.1597168	481.2967871	935.9677524	1456.534699
6.73_441.1330m/z	441.1329762	6.726866667	pos	"6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one"	HMDB0034016	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			37.7	3.87	M+K	C22H26O7	4.885914789	3044.850861	2753.434569	2718.026557	1557.256248	1875.491388	1679.145071	1782.068575	1663.36036	6933.21742	1771.03991	2105.401689	4840.343381	8478.74462	1752.09917	1642.194298	1909.602188	4713.640057	1759.120123	2781.702685
6.93_496.2739m/z	496.2739294	6.9307	neg	Taurohyocholic acid	57996	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*	C15516	37.7	0	M-H2O-H	C26H45NO7S	0.187822461	1799.603844	2378.756841	2289.676052	379.7067225	884.4279048	527.9266502	745.5596644	594.9661658	455.1991347	1199.83336	742.6977395	235.3540925	691.5618237	598.6545334	22312.7539	685.7008472	1854.132927	6481.716495	884.5789424
6.98_201.1487m/z	201.1486816	6.979416667	neg	3-Hydroxynonyl acetate	HMDB0032443	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		37.7	0	M-H	C11H22O3	-4.632794287	1094.336052	1264.222346	1062.754644	1229.915168	1221.702894	925.0452158	1216.732334	999.3083851	988.1334183	1109.350268	948.9649472	1120.75166	1141.485431	1288.882238	1193.89636	1204.294594	1336.670991	1443.584195	1203.622455
7.57_131.0854m/z	131.0853984	7.572033333	pos	2-(4-Methylphenyl)propanal	89225	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.7	0	M+H-H2O	C10H12O	-0.866742834	602.2252804	528.1234363	559.912004	628.6311102	594.998578	554.8155793	619.2779851	553.2859326	584.2800416	642.8759573	633.3577962	581.730833	499.8012216	571.8525479	588.8282834	582.4140474	541.569246	529.9737767	599.3352452
7.73_215.1645m/z	215.1644863	7.732583333	neg	Undecan-6-one	LMFA12000062	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			37.7	0	M+FA-H	C11H22O	-4.595131811	1099.317647	1194.605377	1174.982332	1140.154682	1322.104967	999.615694	1016.988644	1271.136556	1275.369444	1062.691958	1365.034791	1067.955397	1486.557383	1345.549116	1132.449912	1161.192301	1039.637428	1220.209527	1223.614392
7.83_605.3333m/z	605.3332828	7.8326	neg	Cucurbitacin C	HMDB0034706	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cucurbitacins	*	C08795	37.7	0	M+FA-H	C32H48O8	0.28816883	726.6429458	1165.952661	1209.986581	647.2394995	947.396024	2448.129284	131.3664303	767.4362629	309.9070804	1907.810513	772.829066	118.2315249	757.3926122	793.8150725	1745.948385	2900.75859	2082.824881	2586.468306	605.6642905
8.26_215.1644m/z	215.1644453	8.263416667	neg	trans- and cis-1-Methoxy-1-decene	88406	Organic oxygen compounds	Organooxygen compounds	Unclassified			37.7	0	M+FA-H	C11H22O	-4.835720711	1610.693587	1653.402507	1697.940953	1578.203911	1684.184057	1490.031368	1624.424566	1464.558604	1692.456869	1837.845142	1713.244305	1668.170545	1606.809704	1363.30455	1539.340974	1651.316812	1499.850273	1679.126444	1506.030365
8.28_201.1487m/z	201.1486648	8.278533333	neg	2-Hydroxyundecanoate	HMDB0059736	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.7	0	M-H	C11H22O3	-4.71575695	2897.886875	2399.414953	2729.09681	2440.238299	2311.793695	2473.909213	2712.539083	2764.131352	2226.983105	2813.120455	3017.570998	2582.25916	2495.328168	2240.626761	2616.93423	2545.361033	2471.600525	2782.983987	2624.0803
8.31_131.0854m/z	131.0854254	8.310216667	pos	"5,6,7,8-Tetrahydro-2-naphthol"	69958	Unclassified	Unclassified	Unclassified			37.7	0	M+H-H2O	C10H12O	-0.684489265	859.3148832	721.9301244	735.6653003	744.2624981	880.2883716	696.2211628	782.870869	740.0925203	806.9615344	748.4622811	805.6146856	770.0512593	667.0623871	728.3385006	667.0643685	820.3960127	696.1799755	784.3158322	754.698871
9.33_213.1846m/z	213.1846092	9.331016667	pos	Rhodinyl propionate	92154	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		37.7	0	M+H	C13H24O2	-1.401079012	5450.340999	4745.860107	4765.525797	5101.003952	4767.929611	5069.723885	4920.456798	5316.044195	5197.157678	5273.085729	5066.344825	4769.624666	4937.847946	4965.518291	5399.306812	5383.688119	4783.246228	5059.171674	4918.492421
9.51_215.1645m/z	215.1644935	9.514716667	neg	2-Undecanone	HMDB0033713	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds		C01875	37.7	0	M+FA-H	C11H22O	-4.552778559	1071.540167	1150.274169	1273.124852	1189.052404	1255.630367	1143.942903	1417.487478	1436.026076	1181.821526	1482.331607	1290.829057	1166.779704	1144.986624	1097.184845	1230.414394	1376.586199	1334.450103	1258.247499	1180.279885
0.25_195.1016m/z	195.1015629	0.252583333	pos	"3-[(1E)-3-methylbut-1-en-1-yl]benzene-1,2,4-triol"	HMDB0126463	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	*		37.6	0	M+H	C11H14O3	-0.040561788	2664.329128	2368.684313	2622.155328	2511.755007	2382.018396	2556.568162	2557.280284	2858.017187	2512.696195	2653.226022	2650.618086	2481.810214	2798.207852	2790.538922	2743.033362	2570.861316	2528.576345	2655.655383	2475.820545
0.44_150.1357m/z	150.135739	0.439416667	pos	1-Nitrohexane	HMDB0013812	"Organic 1,3-dipolar compounds"	"Allyl-type 1,3-dipolar organic compounds"	Organic nitro compounds			37.6	0	M+NH4	C6H14NO2+	-4.089574159	230.6688987	236.2715181	241.2219687	243.1543793	240.5206836	441.9564522	203.0790033	0.000297236	221.2468792	319.1896149	465.7098236	411.1896056	325.0954191	154.8403013	264.9350863	384.5113305	282.419667	74.08431573	97.62040816
0.62_214.0882m/z	214.0882042	0.623133333	neg	2-Naphthylalanine	1387	Unclassified	Unclassified	Unclassified			37.6	0	M-H	C13H13NO2	3.961135639	11477.05262	11860.0335	11635.87971	12906.45005	11870.17298	10972.95718	10812.65666	9443.858502	8333.97529	12057.30562	11976.65872	12101.10292	14606.40097	13250.83546	12278.58083	12848.55289	14129.20399	13523.43902	15954.10158
0.62_239.0394m/z	239.0393643	0.623133333	neg	Bisthiosemi	72878	Unclassified	Unclassified	Unclassified			37.6	0	M+FA-H	C3H10N6S2	1.675301067	3992.249564	3841.774859	4767.090462	5692.299228	5725.899476	3829.653532	3197.984519	4765.326568	2755.197117	5017.17516	5498.504918	6184.756082	5378.961769	5259.753207	4206.243847	3733.554912	6109.832292	4479.623358	6776.495719
0.62_329.1597m/z	329.1596916	0.623133333	neg	"(1S,2S,4R,5S,7S)-2,5,7-Fenchanetriol 2-O-b-D-glucoside"	HMDB0033219	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		37.6	0	M-H2O-H	C16H28O8	-2.542328538	764.5398558	856.6475208	1262.982295	844.2164908	1042.198924	913.1126616	609.3123613	1216.035563	1129.189549	1409.213995	610.3515184	1892.200087	1009.761308	1346.951392	617.266302	1189.762128	1185.589415	1045.552454	2903.364127
0.64_628.9509m/z	628.9508908	0.641183333	neg	"Phosphatidylinositol-3,4,5-trisphosphate"	7040	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	**	C05981	37.6	0	M-H	C11H22O22P4	4.52148472	11626.10378	9863.081769	10822.45857	9428.186769	11335.86063	11253.98443	8882.618901	12513.17261	12358.63808	10179.67916	9073.98576	12605.67414	8887.627255	9772.116068	9253.37621	9976.73057	7539.321111	9469.722952	11660.18939
0.70_243.0738m/z	243.0737902	0.695266667	pos	N6-Acetyl-N6-hydroxy-L-lysine	63465	Unclassified	Unclassified	Unclassified			37.6	0	M+K	C8H16N2O4	-1.836783937	56013.445	63813.43564	60130.86457	72832.09711	28708.73418	33422.88009	67208.06412	26671.22265	40676.30054	40106.89923	66512.41066	72729.4631	70284.17332	66005.02215	76242.62552	63116.92969	58604.08979	66101.44161	77231.44003
0.71_247.0567m/z	247.0567397	0.712816667	neg	Aspartyl-Aspartate	HMDB0028749	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.6	0	M-H	C8H12N2O7	-1.752130834	14284.73389	13570.95602	14251.30922	15729.38795	13937.54152	13168.1105	15889.29988	10761.66314	10016.44186	19415.068	19930.56976	12541.13193	15567.18017	18194.12871	14532.08268	16053.14549	16698.08611	13932.25937	20429.52458
0.71_296.0972m/z	296.0971578	0.712233333	pos	D-Erythroascorbic acid 1'-a-D-xylopyranoside	89426	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37.6	0	M+NH4	C10H14O9	-1.617417145	20171.86573	23792.69995	22694.75888	30727.10934	19046.45645	38009.91694	12309.02272	24277.04168	33179.89297	26332.69047	22826.15561	29046.3613	18416.19272	13429.76462	16591.81314	29825.67535	14400.12057	27075.88326	18079.47181
0.73_227.0766m/z	227.0765858	0.7299	neg	L-Iditol	HMDB0011632	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	*	C01507	37.6	0	M+FA-H	C6H14O6	-3.598749417	4195.847926	3777.912603	5314.768501	0.000297236	8495.748522	3469.617507	628.4979287	249.4201376	2443.903334	8284.852114	1104.698058	340.0913208	10869.64762	9370.408063	6790.382118	158.0109575	4275.308426	1426.376379	7945.626225
0.73_315.0933m/z	315.093306	0.7299	neg	"6-Hydroxyl-1,6-dihydropurine ribonucleoside"	66214	Unclassified	Unclassified	Unclassified			37.6	0	M+FA-H	C10H14N4O5	-4.87385694	30810.0335	30014.44408	33194.88463	33902.18139	32537.39115	28899.9851	31464.62397	44940.63263	43683.68987	25604.25999	34325.81049	42100.34552	23337.72231	26854.41256	23857.42529	26612.26147	24596.57334	20961.67626	30846.20083
0.73_405.1253m/z	405.1252655	0.7299	neg	Glutamyl-Glycine	85733	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.6	0	2M-H	C7H11N2O5-	-2.587835774	9140.612852	7129.318358	5506.233002	8559.712531	5841.677073	9135.2641	6725.813595	0.000297236	2388.775546	4518.250452	5525.341795	5532.534149	9905.742261	7869.185859	6110.044768	5124.492168	2472.013497	2592.00316	6630.833271
0.76_158.0270m/z	158.0270275	0.764	pos	4-methylthiazole-5-acetic-acid	1877	Unclassified	Unclassified	Unclassified			37.6	0	M+H	C6H7NO2S	0.009939003	3331.01182	2479.136572	3056.66476	1242.516611	3262.946101	3217.711363	2861.750733	2671.718434	2215.611358	5630.536997	1552.825843	3109.205616	2856.205631	4320.200301	3786.611707	4543.639791	4225.355975	1209.795986	1397.706739
0.76_205.0516m/z	205.0516229	0.764266667	neg	"HAEMATOMMIC ACID, ETHYL ESTER"	43967	Unclassified	Unclassified	Unclassified			37.6	0	M-H2O-H	C11H12O5	4.42058842	3424.01737	3397.517543	3495.511926	3719.837723	3326.378739	3978.702168	2526.051422	1080.441289	1964.693018	3462.94182	3273.97716	2447.936731	4585.560504	4140.682905	3114.051405	3973.988622	3402.997531	3675.692025	3701.704425
0.76_332.1101m/z	332.1100674	0.764266667	neg	n-Ribosylhistidine	6481	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.6	0	M+FA-H	C11H17N3O6	0.450058292	4521.068595	3668.492689	4582.632524	4128.334365	6013.941179	7860.781251	5084.750557	3644.245536	3900.472908	6557.834657	4341.740039	2788.603627	4690.45305	5681.278009	4292.218669	3227.640457	5060.482361	4021.498866	6525.906865
0.78_164.0374m/z	164.0374042	0.781033333	pos	Acamprosate	HMDB0014797	Organic acids and derivatives	Organic sulfonic acids and derivatives	Organosulfonic acids and derivatives			37.6	0	M+H-H2O	C5H11NO4S	-1.029766745	6005.767686	6613.420713	6016.014624	7445.550975	7392.270629	5258.053408	4086.614923	6963.006044	6480.544511	5467.661851	4507.565393	10056.06935	6140.478308	6020.244788	6812.410385	5692.156217	4946.69616	8493.560045	7528.630359
0.78_168.0125m/z	168.0125482	0.781716667	neg	Thien-2-ylacetonitrile	65953	Unclassified	Unclassified	Unclassified			37.6	0	M+FA-H	C6H5NS	0.611143017	1087.742626	1026.012151	1099.528141	1222.587642	960.2737238	900.5237871	739.8462725	1629.683817	1260.954931	947.3941701	820.6591873	1195.128221	1033.242727	894.0037669	858.2285355	697.3945431	722.4011654	1051.449463	1212.890214
0.78_378.1140m/z	378.1139593	0.781033333	pos	Nitrovin	73181	Unclassified	Unclassified	Unclassified			37.6	0	M+NH4	C14H12N6O6	-4.716482075	5575.059387	5235.701352	7586.963684	6922.954397	5751.187829	3822.475279	6195.012374	6104.002517	5954.415023	3814.48932	6871.356761	4851.02544	5387.789727	5767.093158	7681.664332	6404.222176	4134.544832	5562.943821	7062.969309
0.80_219.1338m/z	219.1337573	0.798133333	pos	Meprobamate	43245	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.6	0	M+H	C9H18N2O4	-0.807635513	7606.63941	8176.74056	7847.483818	4839.620979	11055.06209	10305.5452	9607.026931	1525.011289	2035.366544	15687.72744	6396.049438	1304.713617	10459.35377	10238.86032	10624.51192	9943.154915	10154.63706	3988.36038	9413.928755
0.80_350.1093m/z	350.1092609	0.801	neg	N-Acetyl-7-O-acetylneuraminic acid	HMDB0000785	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C04016	37.6	0	M-H	C13H21NO10	-0.024344225	7151.467589	8589.400923	8211.451386	7461.402692	8071.845151	6936.682706	8605.576591	13988.45937	15331.80487	6639.300671	7384.031237	8655.128438	6496.320061	5028.797574	5072.762561	5640.376099	6153.204465	6133.355761	6178.320588
0.85_191.0482m/z	191.0481993	0.850933333	pos	3-Fluoro-1-(4-hydroxyphenyl)-1-propanone	70568	Unclassified	Unclassified	Unclassified			37.6	0	M+Na	C9H9FO2	1.909206508	7853.382186	8582.80646	9929.274896	5671.209128	16348.06396	9252.81026	13365.12749	6648.320193	9673.139092	10343.72738	7691.614636	3919.890669	12591.32512	8264.304647	9464.795428	7011.756284	8232.95926	4621.164797	5465.01639
0.86_233.0208m/z	233.0207807	0.85685	neg	Orellanine	73453	Unclassified	Unclassified	Unclassified			37.6	0	M-H2O-H	C10H8N2O6	1.53074795	4776.635131	6445.381883	6129.859489	5940.257594	6116.481621	6524.797337	6576.10647	4433.018355	3511.904909	6275.028559	6124.619401	4213.435366	5759.23324	6203.370264	6325.838416	7795.910984	6729.28617	7150.448729	5825.588156
0.95_248.1133m/z	248.113297	0.94875	pos	Hydralazine pyruvate hydrazone	HMDB0061143	Organoheterocyclic compounds	Diazanaphthalenes	Benzodiazines			37.6	4.11	M+NH4	C11H10N4O2	-3.929447548	23163.72585	26991.68572	26097.37103	24862.69413	32662.03525	32152.56455	18125.53144	25328.30613	18056.2589	25795.16467	20764.21077	46113.94022	23529.28009	21440.37101	16974.43072	21052.38045	22173.34611	23652.94078	21546.43685
1.03_183.1379m/z	183.1378809	1.026666667	pos	Ethyl octynecarboxylate	LMFA07010879	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.6	0	M+H	C11H18O2	-0.413829678	1705.908585	2128.094029	1843.715218	2021.169123	2065.215371	1911.319562	1945.42585	1542.064145	2332.03553	2432.93708	2342.148824	1136.547535	2358.836967	2136.229584	1557.297724	1922.433964	1479.900384	1837.721952	2214.702405
1.06_535.1480m/z	535.147982	1.063433333	neg	Lippioside II	89815	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		37.6	0	M-H2O-H	C25H30O14	4.091803757	12315.32275	16241.11678	18872.15942	13784.79662	25908.50133	16909.17938	20303.61592	10211.25522	10567.27477	17245.42828	16555.5542	11791.65756	20172.02993	17772.64258	22747.95915	18940.35103	20075.56612	9678.408984	13961.70455
1.08_115.0193m/z	115.0192967	1.081483333	neg	"6E-Octene-2,4-diynoic acid"	LMFA01030743	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.6	0	M-H2O-H	C8H6O2	2.673988382	9401.354346	8803.61452	9052.805515	8673.395988	9874.21886	9731.76726	9865.849223	8968.5026	8401.275874	9576.354962	9406.845332	8431.516712	9575.734856	8904.943467	10202.30614	9223.851121	9374.121672	9227.60273	10014.09927
1.08_267.0584m/z	267.0583845	1.079266667	pos	CAY10512	45185	Unclassified	Unclassified	Unclassified			37.6	0	M+K	C15H13FO	0.803079639	56832.54091	57948.52454	51100.00986	61516.94571	55263.70225	41379.60161	57177.6474	62251.82622	99380.49709	48270.3197	54570.27004	65295.98567	58169.76222	59405.06869	72748.75173	55275.69292	45973.36863	47375.58003	55034.72566
1.08_281.0357m/z	281.0357273	1.081483333	neg	"4,5-Dihydroxysulfadiazine"	2438	Unclassified	Unclassified	Unclassified			37.6	0	M-H	C10H10N4O4S	2.58102679	91601.20781	109976.5493	101211.0206	104868.681	99359.21957	103561.5117	116031.1041	110572.8521	136129.2049	99567.24015	107968.0064	103698.9568	86611.18738	99311.7747	95190.8135	97791.83656	93153.85207	97395.72447	97812.18711
1.14_269.9932m/z	269.9931856	1.13905	pos	N-Phosphotaurocyamine	63574	Unclassified	Unclassified	Unclassified			37.6	0	M+Na	C3H10N3O6PS	4.745718305	7782.934169	8335.304083	7610.836655	11909.74345	6077.657372	8835.19006	6531.694894	7994.378327	8882.761774	7917.56476	6986.404962	5462.922121	5725.082339	7626.429517	6528.83998	7013.712992	7634.490542	9045.57239	8351.175656
1.26_803.2351m/z	803.2350539	1.259833333	neg	Saphenamycin	69428	Unclassified	Unclassified	Unclassified			37.6	0	2M-H	C23H18N2O5	-1.010926417	238938.6536	227702.367	253411.7185	238442.7855	400193.0363	351094.648	474504.7415	77299.02853	124149.3617	458109.0669	287862.4659	35585.80937	265885.5571	235778.2287	299856.4418	232207.4913	213949.0933	199076.7215	286289.3165
1.26_847.1984m/z	847.1984098	1.259833333	neg	Azimsulfuron	HMDB0033145	Organic nitrogen compounds	Organonitrogen compounds	Sulfonylureas		C18438	37.6	1.59	2M-H	C13H16N10O5S	0.609452862	121377.0257	131929.0866	157661.6376	160898.6167	158639.107	176691.9126	224301.0073	55470.29849	84321.54428	186798.3244	147292.6243	19888.68704	141328.7689	109181.5313	165528.5532	142469.1987	123539.1468	126966.0749	145068.9134
1.28_322.0678n	303.0499376	1.278416667	neg	"2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol"	HMDB0136090	Phenylpropanoids and polyketides	Flavonoids	Flavans			37.6	0	"M-H2O-H, M+FA-H"	C15H14O8	-3.38026527	128896.5941	153862.4331	167379.8387	162875.2387	171078.1344	190315.3881	192544.5595	102757.2732	108193.5139	179196.7803	160385.3631	69754.46655	154407.1054	139084.3112	165281.9422	153112.3824	158149.0337	151968.4181	172145.6982
1.30_408.0015m/z	408.0014661	1.297066667	neg	Adenylylsulfate	4165	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides	**	C00224	37.6	0	M-H2O-H	C10H14N5O10PS	-1.386511018	3694.18135	2702.461948	2818.820824	3842.070114	2264.915512	3368.460472	979.1223135	1592.148764	2946.584159	2056.299806	2924.972792	3000.588158	2759.698739	3034.378048	3603.481951	3273.543368	1499.151294	3431.948198	2955.448489
1.30_489.1982m/z	489.1981509	1.297066667	neg	dihydrophaseic acid 4-O-beta-D-glucoside	53369	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids			37.6	0	M+FA-H	C21H32O10	0.902245228	6192.933856	4283.554879	4771.282941	5499.132375	5153.604717	5013.51002	4730.49534	3448.106464	3386.076294	3746.592092	4250.190302	5725.965809	4727.342463	4955.497864	4080.523993	4829.005642	4685.087148	6668.081149	5671.152273
1.32_314.1002m/z	314.1001669	1.317533333	neg	p-Hydroxytriamterene	2909	Unclassified	Unclassified	Unclassified			37.6	0	M+FA-H	C12H11N7O	-2.021618932	618.1959642	684.6975753	848.0977325	1480.606887	526.6117098	1213.105139	1194.770816	918.9448135	399.1557702	884.7665567	511.3262055	491.5741722	752.9503738	560.8212087	679.2956768	776.4887351	852.1907835	1107.130389	866.1347501
1.34_201.0160m/z	201.0159834	1.336933333	neg	Orotic acid	HMDB0000226	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C00295	37.6	0	M+FA-H	C5H4N2O4	4.319730287	833.6005124	775.2408252	844.1294288	279.6480467	1156.944771	246.2435113	351.6005949	2488.936555	1721.014451	282.1072447	567.2149577	923.2656535	515.6891654	984.777211	764.8284455	663.1202556	612.8367004	391.0789114	792.9579687
1.34_222.9889m/z	222.988878	1.336933333	neg	2-Thiophenecarboxaldehyde	86442	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			37.6	0	2M-H	C5H4OS	-1.861712542	2590.211915	2550.575866	2687.201465	914.5735556	2797.135137	783.384244	1252.447378	5374.009609	5138.295118	1029.615839	1910.296478	2769.007938	1982.540141	2742.496161	2686.777587	1868.078639	1795.578926	1423.140352	2150.211332
1.51_249.0538m/z	249.0537624	1.513233333	pos	Paracetamol sulfate	HMDB0059911	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			37.6	0	M+NH4	C8H9NO5S	-0.893890976	3907.805365	4177.942894	4138.052354	3257.808736	3669.73139	4839.352596	6026.593177	6181.706626	7094.706013	3910.413117	3055.622279	4728.831757	4775.458051	3370.070112	3723.544747	2453.601174	4356.057166	2030.900912	3027.750108
1.57_157.0647m/z	157.064716	1.572783333	pos	JUAREZIC ACID	44089	Unclassified	Unclassified	Unclassified			37.6	0	M+H-H2O	C11H10O2	-0.432647387	677.7484709	518.6243686	631.3379299	659.5159321	481.1533802	399.5565411	860.1098636	512.7309672	579.8496949	612.1147029	415.6925166	605.3038716	697.6900855	618.9908531	534.779274	709.3169631	755.6435171	832.6114919	561.6976409
1.70_419.0433m/z	419.0433491	1.696866667	neg	"[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]sulfonic acid"	HMDB0129394	Benzenoids	Benzene and substituted derivatives	Butyrophenones			37.6	5.05	M-H	C19H16O9S	-2.089138728	18106.52293	19815.89629	20388.63098	16821.48773	22943.85244	22641.81553	15451.45137	13651.72279	13284.17276	23292.74727	14970.87006	21974.74752	20582.70119	19658.18431	23211.90388	20141.19546	22340.41978	21622.19266	26900.84499
1.71_376.1709m/z	376.1708815	1.70895	pos	AM2201 6-hydroxyindole metabolite	96610	Unclassified	Unclassified	Unclassified			37.6	0	M+H	C24H22FNO2	0.394112488	4058.770006	5096.039926	5887.670242	4883.355449	8251.06195	4249.574698	5317.584446	1492.875549	2237.731858	7060.519731	4592.121697	3498.421003	5919.709391	5916.982177	4748.020056	5215.791139	5012.307841	3389.211732	6935.752999
1.88_186.1487m/z	186.148666	1.883166667	pos	gamma-Diosphenol	HMDB0037014	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.6	0	M+NH4	C10H16O2	-1.125861979	3044.630107	2092.486943	2242.850102	2174.568316	2205.744136	2597.472442	2334.976976	2488.838796	2213.277861	2395.94585	2573.528987	2432.185436	2261.537009	2051.113574	2033.486084	1973.077921	1993.949725	2097.760813	2101.253758
1.98_171.1743m/z	171.1742645	1.98295	pos	R-nostrenol	96989	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			37.6	0	M+H	C11H22O	-0.454142998	8259.019008	7960.419141	7707.737946	7656.060769	7371.762351	7873.778345	7616.358595	7586.029668	7806.139901	7838.349663	8068.913447	8357.050466	7713.633683	7859.03544	8330.718104	8702.608833	7706.640714	7798.65556	6686.3641
10.08_518.2501m/z	518.2501033	10.08475	neg	"PS(18:3(6Z,9Z,12Z)/0:0)"	LMGP03050017	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			37.6	3.53	M-H	C24H42NO9P	-4.504080413	3567.666745	3330.205756	2936.49925	2847.167544	8518.852396	4401.066191	2848.665844	2558.139143	3855.406413	3588.948124	2655.470219	3244.526582	5553.686582	4540.924053	2829.097944	2761.524119	3021.171982	2621.779375	4244.504233
10.11_466.2534m/z	466.2533944	10.10533333	neg	Tobramycin	HMDB0014822	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00397	37.6	0	M-H	C18H37N5O9	3.302364249	1130.252102	1156.892792	1570.732044	947.6690449	1012.745676	1363.781559	1789.960078	684.5004886	467.53694	1395.896044	1609.370016	756.6471993	1430.818952	1376.78275	1387.563257	1055.978085	1473.348856	1482.78396	2112.082823
10.11_467.0332m/z	467.0331552	10.10533333	neg	phenylglycol 3-O-sulfate	734	Unclassified	Unclassified	Unclassified			37.6	0	2M-H	C8H10O6S	1.738322414	4170.079064	3461.62456	3314.741493	3345.918402	3191.569958	3736.994021	3855.500868	3893.307484	3401.861828	4673.068323	3706.344332	3481.88095	3187.613772	3250.896015	3333.058697	3519.075192	3626.681134	4334.583154	3043.90273
10.11_485.0239m/z	485.0239233	10.10533333	neg	Ethoate-methyl	72742	Unclassified	Unclassified	Unclassified			37.6	0	2M-H	C6H14NO3PS2	1.34929485	4147.206594	3697.727717	3657.531364	3800.449324	4099.153243	4078.153227	4277.099287	3868.999435	4489.019541	5686.614431	4416.595815	3979.972274	4115.142311	3241.182362	3682.723736	4206.778007	3640.050864	5276.682311	4062.468912
10.26_1051.5755m/z	1051.575532	10.25731667	pos	PIM1(19:0/16:1(9Z))	LMGP15010034	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositolglycans			37.6	0	M+K	C50H93O18P	2.3913618	15863.37735	13657.78013	11692.01339	20829.05422	20600.50931	25757.13201	14170.59109	0.000297236	3160.116704	17072.03494	15490.24764	1693.415042	34447.60414	23716.49393	21202.50389	16566.43421	20347.35557	21031.86241	33233.279
10.28_1135.5970m/z	1135.597044	10.2751	neg	5-Oxoavermectin ''1b'' aglycone	63685	Unclassified	Unclassified	Unclassified			37.6	0	2M-H	C33H44O8	-2.565736584	1825.357146	2439.332905	2345.791349	2785.600372	2949.458721	4192.34263	1964.475006	0.000297236	0.000297236	1950.702012	3735.272309	1271.303145	3731.530275	5858.075046	4020.157369	3767.521512	5392.096534	1015.493813	3234.921259
10.30_345.1680m/z	345.168048	10.29658333	neg	Spenolimycin	71966	Unclassified	Unclassified	Unclassified			37.6	0	M-H	C15H26N2O7	3.822384459	1312.863993	2151.351833	1632.445967	2558.907074	987.6757211	2586.343304	1330.629211	1901.222999	910.2937692	756.4419051	1675.76739	1614.370479	1285.809272	1564.327247	2636.569445	1284.344941	1800.775994	3210.598917	2392.57512
10.30_552.3092m/z	552.3091632	10.29658333	neg	"LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))"	HMDB0011499	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		37.6	0	M-H	C29H48NO7P	-0.722622552	1210.49579	898.1861244	815.9041249	1443.647647	1895.368825	1266.742756	1182.005182	384.79119	1181.34351	1080.715338	1783.87131	1262.793607	1901.516335	1789.836644	2555.436996	1333.647798	3459.781388	1884.449601	1946.324251
10.40_504.3100m/z	504.3099555	10.40193333	neg	PE(11:0/9:0)[U]	40618	Unclassified	Unclassified	Unclassified			37.6	0	M-H2O-H	C25H50NO8P	0.749880345	2901.478131	2576.492558	2865.63492	2443.327459	2985.901707	2732.017439	2939.394513	3466.544729	5150.369136	2517.992524	2798.800967	5447.615775	3112.212428	2671.406632	3463.86832	3075.980082	4350.623223	2355.615979	2763.745067
10.76_352.2299m/z	352.2298607	10.75505	pos	9-Fluoro-17-methyl-11-oxotestosterone	70211	Unclassified	Unclassified	Unclassified			37.6	0	M+NH4	C20H27FO3	4.824199962	1461.093948	2329.524028	2287.794594	954.8770602	958.0960174	1394.843116	1030.579017	1220.943625	4945.71573	2043.939072	1290.986297	2239.45419	1954.867588	3894.171674	2078.320554	1273.079367	6408.861202	1093.635101	7896.716812
10.78_466.3884m/z	466.3884311	10.7763	pos	Chlorogenin	LMST01080086	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	*		37.6	0	M+NH4	C28H48O4	-1.459604182	1883.589386	2300.053207	1597.616274	671.4087081	1559.114131	2439.710371	1623.749806	748.0301466	315.9141478	2204.558963	829.8608343	0.000297236	4015.379262	2806.526241	2494.759829	863.1653953	3786.511161	3202.667173	2716.054299
11.04_898.5806m/z	898.5805619	11.04015	neg	"PS(19:0/22:4(7Z,10Z,13Z,16Z))"	LMGP03010478	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			37.6	5.27	M+FA-H	C47H84NO10P	-1.084227219	69818.36025	53767.02359	46570.48552	51255.11208	62274.22702	68609.91186	68183.65319	73180.14355	74386.57946	72480.009	73224.21949	60588.44926	64936.33057	72873.55881	71087.8703	64622.17126	54695.46423	54847.02966	56929.02728
11.23_402.2678m/z	402.2677917	11.23078333	neg	N-(9Z-nonadecenoyl) taurine	LMFA08020255	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			37.6	0	M-H	C21H41NO4S	-1.392842567	535.1055968	883.3276914	834.380752	726.7557397	434.9765885	347.2540132	307.4657725	0.000297236	0.000297236	108.4306423	186.1076325	489.0154512	429.1971087	260.2086041	524.4603448	652.701793	645.548716	624.2492143	406.7796498
11.44_327.2500m/z	327.2499845	11.43953333	pos	"3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	70630	Unclassified	Unclassified	Unclassified			37.6	0.115	M+H	C20H32F2O	1.796293622	8779.469313	7023.757924	8777.787629	10263.72825	8516.258611	8635.889497	7562.603777	9288.917916	9007.413895	8494.444072	8973.467282	7820.566491	7531.529583	9002.199224	9149.836401	10311.75614	9485.512475	9927.129409	8164.571368
11.44_552.3305m/z	552.3305186	11.44436667	neg	PS(20:0/0:0)	78839	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			37.6	0	M-H	C26H52NO9P	-0.314196324	4189.569565	4870.62824	5355.98789	5062.450289	4804.939063	5725.814987	6970.234982	2013.869031	1049.750149	7407.013268	8009.314438	3032.188861	7262.742616	6377.121621	4290.574684	6316.668287	5096.50047	6419.22754	7394.574573
11.58_172.1329m/z	172.1328963	11.58355	pos	Methyl 2-octynoate	87569	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.6	0	M+NH4	C9H14O2	-2.004473979	2929.202295	2663.498008	2958.347023	3156.185879	2886.212891	2855.309515	2786.394561	2993.790922	2677.407964	2934.538036	3291.494385	2709.193842	2922.328621	2842.264464	2790.028306	2911.25467	2778.672703	2983.657272	3003.720504
11.76_434.2368m/z	434.2368247	11.76273333	neg	Leukotriene E4 methyl ester	45050	Unclassified	Unclassified	Unclassified			37.6	0	M-H2O-H	C24H39NO5S	-0.504243184	12790.0892	10896.07491	11325.25698	15085.30918	24578.76803	17893.89409	16625.67122	13312.05895	8609.283963	15353.93327	14823.87725	6266.341188	12453.27648	13690.24239	20975.32096	17409.37057	12315.50052	18707.43337	16822.2106
11.97_369.2044m/z	369.2043788	11.97475	neg	Pseudoecgonine	58400	Alkaloids and derivatives	Tropane alkaloids	Unclassified		C12449	37.6	0	2M-H	C9H15NO3	3.426417303	3238.832662	3755.325101	2943.511011	3863.944205	6341.300955	3148.611641	3278.086137	2965.55627	4819.952642	4008.075692	3524.655334	2838.646278	5410.132555	5202.378678	3980.143996	3010.204772	2883.475681	2465.280371	5388.050361
12.40_353.1423m/z	353.1422959	12.39566667	neg	O-Ureidohomoserine	62904	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	*		37.6	0	2M-H	C5H11N3O4	-0.958129301	2943.564402	4193.342879	4388.814049	2526.669067	10809.35054	3481.931245	2557.836755	6526.084768	9981.296854	3381.157479	3147.643476	4050.186413	6219.256561	4502.256563	3568.116119	2640.424037	2998.403305	3258.923045	3603.049594
13.38_874.4896m/z	874.489634	13.37865	neg	"PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	LMGP03010424	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	*		37.6	0	M+FA-H	C46H72NO10P	2.467771894	43220.84409	37185.15163	25054.61784	26992.5304	24261.52612	34921.24003	22464.25612	24934.34308	35593.83684	35752.35356	44026.41215	30735.9818	24508.20334	2512.960504	9320.137547	30488.49251	47229.6378	39260.87488	35337.35852
13.87_156.1380m/z	156.1380387	13.87048333	pos	N-Methylpelletierine	64436	Unclassified	Unclassified	Unclassified			37.6	0	M+H	C9H17NO	-1.623711248	4511.475014	4931.26293	5795.353394	5865.090051	5683.421758	5583.194234	5767.445479	5252.195151	5666.191191	6041.225648	5699.735627	4941.007675	5376.438585	5500.687127	5398.03966	5986.170853	6331.609565	5931.877785	5626.016455
14.20_384.9934m/z	384.9933741	14.20081667	neg	"Alpha-D-Glucose 1,6-bisphosphate"	HMDB0003514	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01231	37.6	0	M+FA-H	C6H14O12P2	-2.582095231	1166.37778	1407.770534	1803.527252	610.7573651	813.9793966	649.0243243	844.2657066	1739.91451	822.135847	953.7478324	1680.329697	739.8555852	475.654656	1875.565922	3105.013034	2084.801159	1638.582888	2163.43027	721.2473858
15.53_142.0604m/z	142.0604269	15.52508333	pos	"L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid"	86947	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.6	0	M+H-H2O	C5H9N3O3	-4.250234141	2818.228211	2506.913372	2717.922069	3495.09892	2236.674895	2844.610027	2666.227427	2270.734176	2572.521218	2427.891443	2474.743175	3201.10531	2787.170996	2709.234973	2802.868778	2867.83369	2608.978629	2555.622896	2875.153255
15.55_135.0688n	118.0654641	15.54558333	pos	2-Phenylacetamide	HMDB0010715	Benzenoids	Benzene and substituted derivatives	Phenylacetamides	***	C02505	37.6	0	"M+H-H2O, M+H"	C8H9NO	2.505301066	14602.71116	13170.77264	13595.70571	13925.92344	13400.27934	14738.76068	13612.91745	14069.17743	13280.8103	14471.66616	15354.52047	12015.53236	12462.02273	12088.23715	13910.19402	13679.45564	13349.15962	12514.3475	13676.35119
15.72_228.2085n	229.2159349	15.71671667	pos	Isomyristic acid	LMFA01020007	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.6	0	"M+H-H2O, M+H"	C14H28O2	-1.734798205	5455.297665	5866.232668	5456.545609	5353.192963	5187.674276	5390.592042	5605.075945	6438.856352	7817.031908	6193.071898	7465.790701	6539.5801	6807.245045	6534.367442	5485.113946	5245.260925	5864.493246	5527.593394	5822.809684
15.76_169.1584m/z	169.1583598	15.75651667	pos	"4,6-Dimethylnonanoic acid"	HMDB0002373	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.6	0	M+H-H2O	C11H22O2	-1.782906383	5721.576461	5726.537568	5221.11821	6077.128705	5699.868478	5528.467011	5901.896387	5805.062983	5854.046223	6032.2681	5558.473616	6083.023294	5512.194262	5508.39177	5559.504503	6403.725129	5443.10797	5652.706813	5371.506329
15.76_237.1845m/z	237.1844924	15.75651667	pos	capsidiol	53420	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*	C09627	37.6	0	M+H	C15H24O2	-1.753064866	17031.38234	15601.68038	16820.30532	16998.00982	17253.81613	16837.55709	18051.84698	18504.31209	17808.59399	17427.39741	18549.97152	17842.317	16018.95365	16238.25562	16915.02735	17831.97686	15535.29301	18701.81956	17097.47579
2.05_710.2242m/z	710.2242151	2.054766667	neg	6-Methoxy-2-naphthylacetic acid	HMDB0060787	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives			37.6	0	M-H	C39H37NO12	-0.118273843	9516.025593	12748.13186	11992.62143	10394.39578	12991.42271	9590.806697	10833.15396	7379.306698	5821.046343	9914.612383	9022.74727	10419.60946	13476.73245	11760.18294	12024.18173	11750.97365	12940.23986	10890.46333	19696.21275
2.14_186.1487m/z	186.148669	2.13775	pos	8-Hydroxycarvotanacetone	265099	Unclassified	Unclassified	Unclassified			37.6	0	M+NH4	C10H16O2	-1.107998163	3459.203627	2295.841967	2400.874862	2377.249546	2304.627561	2387.378429	2463.505964	2416.233248	2323.508337	2369.520952	3048.866445	2442.569644	2281.161289	2082.979809	2375.503866	2100.032866	2342.011559	2276.965931	2071.712014
2.39_423.0399m/z	423.039925	2.3943	neg	6-Methylthiopurine 5'-monophosphate ribonucleotide	HMDB0060414	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides	**	C16615	37.6	0	M+FA-H	C11H15N4O7PS	4.802766586	1019.481604	847.0039525	1004.869312	928.1696481	1513.49968	1242.68643	1091.364565	1035.016394	992.2927736	1973.737508	902.7000664	636.6500116	826.6089593	952.3194235	1282.188464	1292.732288	1556.591779	1004.914383	1046.70836
2.74_186.1487m/z	186.1486849	2.743033333	pos	Geranic acid	LMFA01030784	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*	C16461	37.6	0	M+NH4	C10H16O2	-1.013694284	2179.703634	1505.086577	1576.559269	1555.353358	1638.363123	1709.256808	1463.186957	1707.806194	1607.222244	1497.49999	2016.080863	1658.101107	1606.614817	1642.65548	1481.265434	1854.263485	1225.956229	1514.257263	1337.714426
2.80_216.9803m/z	216.9803332	2.796916667	neg	5-Sulfosalicylic acid	HMDB0011725	Benzenoids	Benzene and substituted derivatives	Benzenesulfonic acids and derivatives		C16199	37.6	0	M-H	C7H6O6S	-4.125519914	727.5076183	601.872663	688.1803207	655.2278174	1104.422874	778.9018161	608.3309544	993.0049778	873.9405828	1179.575016	275.6867211	586.223283	449.8585711	522.2226161	569.0494848	309.8551629	534.9935216	339.084093	709.8753538
3.22_131.0703m/z	131.0702848	3.216133333	pos	3S-methyl-2-oxo-pentanoic acid	LMFA01020275	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates	**	C00671	37.6	0	M+H	C6H10O3	0.109424321	43365.1887	40067.85903	40929.92527	41683.45451	40960.27875	43411.51619	41442.35199	41277.43539	42045.70924	41038.48033	42365.02849	41836.45903	39562.42542	39886.68755	43859.74243	42597.33422	41622.50312	42258.78844	39083.97959
3.23_378.1031m/z	378.1030973	3.2314	neg	Chondroitin	HMDB0000629	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00401	37.6	0	M-H	C14H21NO11	-2.866475703	980.0010106	1040.163113	1072.839014	1001.557199	961.7007278	614.4199295	583.504432	993.795315	1358.087337	649.8811858	722.5994805	2487.433467	907.6764836	1108.983668	1410.914947	1005.239303	949.7344683	1066.663692	948.8890311
3.49_324.0989n	323.0883332	3.494566667	neg	S-4'-Hydroxywarfarin	HMDB0013881	Phenylpropanoids and polyketides	Homoisoflavonoids	Homoisoflavones			37.6	1.06	"M-H2O-H, M-H"	C19H16O5	-2.590456279	1749.846223	1909.59602	1494.985376	2130.379731	1928.698528	2026.459898	1388.872468	4413.19341	2384.819759	1364.89797	1096.835972	2923.142815	1380.676079	1402.693176	1067.458042	1385.681896	1613.856836	2262.454497	2031.079208
3.64_282.0760m/z	282.0760288	3.640283333	neg	Citpressine I	86187	Organoheterocyclic compounds	Quinolines and derivatives	Benzoquinolines			37.6	0	M-H2O-H	C16H15NO5	-3.828222916	1397.436373	1203.444045	1653.546647	1358.152833	1886.392676	1754.673112	1649.489471	1603.203329	1809.343576	1478.011444	1195.457685	987.397076	1286.612889	1238.863934	1916.404536	1731.722902	1550.238977	1073.434695	1552.303478
3.66_141.0100m/z	141.0100204	3.65905	pos	4-Chlorobenzaldehyde	66475	Unclassified	Unclassified	Unclassified			37.6	14.9	M+H	C7H5ClO	-1.060594361	4626.640427	4957.187363	4748.765571	5526.518251	5100.813692	4726.389894	3575.876494	4131.016939	3840.89889	5356.355245	4540.108882	4541.252756	5344.128109	5210.114657	4801.408242	5508.755847	5018.756077	4371.564997	4361.479576
3.66_304.1750m/z	304.1750438	3.65905	pos	Arginyl-Phenylalanine	HMDB0028716	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		37.6	0	M+H-H2O	C15H23N5O3	-5.472107443	35988.81079	40619.1589	38325.69021	13089.42887	44350.03353	53355.78478	11818.8644	193829.1934	103870.1398	23411.9375	13159.06993	71236.92382	16415.67034	10971.95378	9324.20406	10296.30595	9935.048836	13641.96159	15256.95908
3.68_249.0376m/z	249.0376284	3.680483333	neg	Diflunisal	HMDB0014999	Benzenoids	Benzene and substituted derivatives	Biphenyls and derivatives		C01691	37.6	0	M-H	C13H8F2O3	3.016478278	1258.815867	1238.632427	1321.192374	1127.332529	1406.783868	899.4341397	2025.056129	479.6832888	2279.355211	2250.08049	942.9644686	1524.014141	1609.821291	1412.210224	1102.61414	538.2965968	710.4529846	460.8628299	1184.288347
3.76_359.0778m/z	359.0778393	3.764833333	neg	Caffeic acid	HMDB0001964	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	***	C01481	37.6	0	2M-H	C9H8O4	1.661413504	1472.215962	1142.900675	1215.832498	1412.506492	1171.789489	1599.137311	1480.278207	1872.583658	1733.494292	1059.716035	1432.979365	1237.498759	1241.663122	918.8667925	1000.957941	776.426181	938.0708229	1375.319546	1415.758148
3.78_224.0917m/z	224.0917324	3.784616667	pos	Lathodoratin	67350	Unclassified	Unclassified	Unclassified			37.6	0	M+NH4	C11H10O4	-0.009498164	1496.557626	1468.777266	1602.499042	1610.033253	1396.676579	1787.625368	1462.775237	1126.526327	913.1112909	1350.806527	1153.624775	1096.932794	1608.864879	1611.978793	1953.031814	1493.817375	1461.172914	1933.075239	1958.156835
3.80_147.1128m/z	147.1128444	3.80485	pos	L-Lysine	HMDB0000182	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00047	37.6	0	M+H	C6H14N2O2	0.275708115	1855.733285	2066.311277	1731.718622	2155.057185	2394.925117	2076.107053	1843.085849	1500.200166	1843.143391	1320.672882	1587.74057	2488.099358	2290.455088	1988.920125	2514.589004	2167.411564	2008.990257	1968.969126	1680.436394
3.81_250.1047n	231.0868702	3.807833333	neg	Isopropyl citrate	88388	Unclassified	Unclassified	Unclassified			37.6	0	"M-H2O-H, M-H"	C10H18O7	-2.165289486	663.6175031	958.1728769	735.4857896	363.3342196	557.597508	440.1009632	520.0307022	2214.256525	1761.288712	498.9566135	507.3368781	863.8380756	548.6357309	430.7892507	267.1971957	321.7149552	476.8998513	503.6494615	387.2305531
3.85_205.1586m/z	205.1585963	3.847383333	pos	2-benzylheptanal	HMDB0133154	Benzenoids	Benzene and substituted derivatives	Unclassified			37.6	0	M+H	C14H20O	-0.46734003	2352.259445	2240.690268	2080.889996	2273.878743	2134.466275	2322.222693	2465.126941	2733.536383	2015.456229	2179.886573	2463.721288	3057.644691	2197.274824	2144.613935	2344.007789	2541.37248	2058.979524	2403.057665	2243.437201
3.85_230.1022m/z	230.1022253	3.847383333	pos	Valtrate	HMDB0034493	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*	C09801	37.6	0	M+NH4	C10H12O5	-0.347401996	1100.898607	1163.679935	1198.984497	790.0928626	1677.18356	1152.01336	919.6508017	2388.934573	1627.778084	909.3922177	807.1752801	1609.44925	1099.073953	1085.779996	736.2872145	625.2291802	915.2969974	765.2507136	992.762738
3.93_276.1563m/z	276.1562922	3.9341	neg	Citrulline n-butyl ester	3546	Unclassified	Unclassified	Unclassified			37.6	0	M+FA-H	C10H21N3O3	-0.874644899	754.1793457	680.7446915	746.3133488	703.3551011	491.9862375	89.20818336	188.067946	544.7401161	511.516704	777.5156773	206.2767477	695.5872858	105.5873378	584.1394544	859.7497545	587.6945071	556.9713482	453.3580015	149.2284689
3.95_172.1694m/z	172.1693917	3.952483333	pos	eucalyptol	4020	Organoheterocyclic compounds	Oxanes	Unclassified	**	C09844	37.6	0	M+NH4	C10H18O	-1.291175425	551.0518939	448.4440328	508.1262768	561.2798415	468.4339805	477.2307883	500.9471293	266.5062701	419.4910961	584.7737302	571.854633	259.1226369	462.072643	466.2609112	562.2174369	490.3544565	490.3354259	532.1777085	360.8610633
4.00_183.1017m/z	183.1017208	3.9952	pos	Verimol J	91617	Benzenoids	Phenols	Methoxyphenols			37.6	0	M+H	C10H14O3	0.824187856	2392.774738	2530.203194	1924.957885	2287.040127	2169.935205	2356.207447	2197.966518	1882.407765	2086.359263	2305.042937	2391.151778	2765.711454	1951.047994	1978.654414	2469.864663	2332.274594	2202.366458	2525.679467	2110.017466
4.02_340.1182m/z	340.1181929	4.01795	neg	PC(2:0/2:0)[S]	39734	Unclassified	Unclassified	Unclassified			37.6	0	M-H	C12H24NO8P	4.44392492	358.8712442	219.4240308	252.6209208	969.2983922	700.0321868	1570.446328	1696.027454	212.8741253	246.0556405	1177.417868	1022.715356	77.71308038	1117.742926	721.031417	592.4059482	720.7007797	829.6387982	532.4838903	520.6625492
4.12_189.0758m/z	189.075849	4.119566667	neg	Dambonitol	89632	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			37.6	0	M-H2O-H	C8H16O6	-4.796478865	551.1251942	581.4587716	616.8920617	520.2044576	563.998419	276.1342966	708.5805965	1259.134541	781.8473725	279.355268	610.8274733	1196.897127	539.2785362	591.3379455	467.4657286	441.0182669	442.8741208	614.9829636	491.4751124
4.16_282.0958m/z	282.0957662	4.161483333	neg	Histidinyl-Glutamate	85790	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.6	0	M-H	C11H15N4O5-	-4.245781678	1293.849675	1122.457404	1007.390408	989.078351	1554.434982	911.3783337	996.5923525	1587.098613	1755.586798	964.3719629	822.6515872	910.3571838	1004.701058	1159.278234	1155.754367	669.6115229	1106.604372	620.8763548	1273.216243
4.23_332.1252m/z	332.1251936	4.225533333	neg	BENFLUOREX	44234	Unclassified	Unclassified	Unclassified			37.6	0	M-H2O-H	C19H20F3NO2	-4.496350722	4963.107309	4579.999289	4383.591694	4229.596227	5618.176095	5164.779354	4814.346708	4737.903276	6010.498787	5626.529507	4290.165224	6257.459187	4775.066096	4651.210356	4408.417331	4139.381869	4839.05844	3908.317049	4943.437063
4.25_296.0936m/z	296.0935805	4.246833333	neg	Hippeastrine	67045	Unclassified	Unclassified	Unclassified			37.6	0	M-H2O-H	C17H17NO5	2.376907646	334.1276984	400.7714128	360.9489977	198.6131144	267.9137033	221.2018698	222.1135973	1272.588931	563.3262917	66.89828165	168.9952646	254.2192303	176.1056286	393.7806237	247.3237949	187.6498007	339.1415246	360.2105879	180.2148809
4.37_401.2404m/z	401.240375	4.372916667	neg	Merodesmosine	86951	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.6	0	M-H	C18H34N4O6	-0.455952577	1116.720965	1103.632201	956.4585372	590.5435143	303.261978	495.294315	399.2429235	1453.494919	1008.072525	436.138984	686.4632964	7802.556878	565.3171132	392.9316484	609.5916014	361.9427068	431.5743376	454.6063978	278.3953853
4.39_183.1014m/z	183.1014387	4.3899	pos	"4-Ethyl-2,6-dimethoxyphenol"	89234	Benzenoids	Phenols	Methoxyphenols			37.6	0	M+H	C10H14O3	-0.725120261	4143.849754	3993.807745	3941.706329	4248.572901	3993.767396	4132.147414	4209.366442	4170.904249	3971.935293	3957.589057	4238.558022	4341.168976	4297.873874	4007.871449	4413.64245	3958.23387	3937.595335	4163.540642	3914.220152
4.43_579.3061m/z	579.3060985	4.431116667	pos	PG(20:0/0:0)	LMGP04050015	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols			37.6	1.57	M+K	C26H53O9P	0.408147963	3070.968092	3210.445878	2275.080015	2998.744701	2557.85378	2909.980362	2605.098124	4803.174469	2766.991959	2100.71518	3022.013971	4136.590034	3463.725953	4078.647445	3312.754444	3811.541665	3070.71793	2200.408283	1675.678019
4.49_556.3012n	539.2979425	4.4914	pos	PI(P-16:0/0:0)	LMGP06070003	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			37.6	0	"M+H-H2O, M+H"	C25H49O11P	-0.032754783	2758.134714	3455.403291	2986.626688	2293.613506	4211.898751	2209.22686	3635.132707	6273.002993	3484.979122	4048.942017	2296.092376	5033.726815	3106.627115	3505.164031	2368.802395	2406.190801	2721.477599	1599.121255	3647.327903
4.61_254.0101m/z	254.0101434	4.6053	neg	Sulbactam sodium	69757	Unclassified	Unclassified	Unclassified			37.6	0	M-H	C8H10NNaO5S	-1.246304353	573.4823389	543.0447211	690.0610828	775.5651892	524.1036701	690.0479908	673.2376796	618.0167349	540.8139061	501.740452	735.2187128	450.7521439	678.3834969	621.1953541	610.6465352	582.3512735	791.9941555	506.3041992	746.06032
4.61_301.0381m/z	301.0380644	4.6053	neg	[(3-methyl-2-oxo-4-phenylbut-3-en-1-yl)oxy]sulfonic acid	HMDB0133689	Benzenoids	Benzene and substituted derivatives	Unclassified			37.6	0	M+FA-H	C11H12O5S	-2.667344961	499.4212544	371.9126994	377.7508507	167.1235007	354.9428515	753.3021959	198.4847363	589.4931838	992.3915901	605.4645742	319.2949645	523.9084569	400.0586029	449.5583222	282.4456803	200.9799072	378.069684	258.430121	248.7646694
5.23_337.0388m/z	337.0387769	5.2307	neg	"(2-oxo-1,2-diphenylethoxy)sulfonic acid"	HMDB0135190	Phenylpropanoids and polyketides	Stilbenes	Benzoins			37.6	0	M+FA-H	C14H12O5S	0.101169562	355.7035793	411.1678544	234.1889872	0.000297236	747.7214581	862.6470646	0.000297236	54.9669909	67.57840492	2253.216813	7.62486101	74.35483113	811.2425396	45.84737055	197.3998968	180.1286026	226.0664407	146.3559316	0.000297236
5.61_329.1903m/z	329.1902669	5.613333333	neg	"2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E-tetracosaundecaenal"	LMFA06000268	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes			37.6	0	M-H	C24H26O	-2.489676631	6716.192925	6524.753517	6274.593342	4219.884052	3841.742661	6304.367216	5911.165529	4446.323685	5975.282006	7252.016352	6018.791119	5921.892296	9081.432788	6769.528395	5296.224852	6940.664403	10630.55746	4967.431447	6546.218498
5.95_196.0969m/z	196.0968545	5.95035	neg	1-hydroxyoct-7-enoylglycine	HMDB0094737	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.6	0	M-H2O-H	C10H17NO4	-4.938700898	361.5012632	500.9898605	444.0219128	415.1766381	187.72144	393.0392806	463.1527877	54.9017088	336.9793608	632.2226065	473.5961917	339.9167068	45.67861473	83.81682674	535.3023007	405.4165614	533.5167329	681.6743759	64.31548349
6.75_179.9761n	358.9523572	6.745816667	neg	2-dimethylarsinoyl-acetic acid	LMFA00000035	Lipids and lipid-like molecules	Fatty Acyls	Other Fatty Acyls			37.6	0	"M+FA-H, 2M-H"	C4H9AsO3	-3.850014858	7562.737521	7597.946059	8056.827513	8572.923505	9363.327119	7864.475267	9841.379654	7332.524676	7717.291594	7780.490995	8712.562062	7016.38582	8164.913769	8165.233494	7352.120783	8070.369523	7342.886966	8341.825577	7721.676199
7.36_201.1487m/z	201.1486689	7.364933333	neg	"1,2-Bis(1-ethoxyethoxy)propane"	92131	Organic oxygen compounds	Organooxygen compounds	Ethers			37.6	0	M-H2O-H	C11H24O4	-4.311262029	858.1165615	670.4224956	603.3450108	704.3736817	743.7677991	581.7551242	646.808616	479.3434714	583.3560399	509.3395263	631.1430021	587.2255995	582.5564038	605.5745865	821.2272703	800.5254847	630.1975147	599.2481992	589.6010266
7.37_249.1467m/z	249.1466726	7.37085	pos	(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester	44983	Unclassified	Unclassified	Unclassified			37.6	0	M+NH4	C13H15N2O2	-2.187860739	1629.227444	1544.087067	1615.807353	2114.978278	1371.041862	1811.152779	1662.476149	1430.410294	1170.741652	1592.931011	1730.436438	1346.821032	1608.488313	1375.134912	1592.827519	1928.527646	1187.711538	1758.430848	1804.500295
7.49_315.1963m/z	315.1963137	7.4858	neg	"17beta-Methylestra-1,3,5(10)-trien-3-ol"	70515	Unclassified	Unclassified	Unclassified			37.6	0	M+FA-H	C19H26O	-0.942519191	915.4942699	866.0703213	943.6805497	1043.330973	574.4308922	1148.250061	372.1264437	1209.106165	519.8107932	648.6188879	565.6194939	471.0373667	1851.548299	1400.630973	969.1178848	858.0675041	815.4116677	877.3633679	1076.858281
7.78_342.1721m/z	342.1720514	7.783116667	neg	"10,11-Dihydro-10,11-dihydroxyprotriptyline"	2188	Unclassified	Unclassified	Unclassified			37.6	0	M+FA-H	C19H23NO2	3.262695196	1094.800194	818.8252114	968.5038333	886.2306244	941.6519653	755.8117208	1641.523459	771.9116419	799.5310074	624.0087646	1392.004381	607.67948	706.7819589	939.6638231	1151.621537	715.7047085	1110.185481	1526.070395	1291.855818
7.78_429.2411m/z	429.2411137	7.783116667	neg	(-)-Pyrifolidine	HMDB0033523	Alkaloids and derivatives	Aspidospermatan-type alkaloids	Unclassified			37.6	0	M+FA-H	C23H32N2O3	4.210713641	340.095559	244.3253068	213.3329773	158.8935173	144.7031518	0.000297236	174.7146467	0.000297236	616.8359342	63.04236482	183.8882568	589.2897936	71.28794459	416.7131606	1864.756479	0.000297236	384.1874144	845.7915605	210.3711202
7.79_183.1014m/z	183.1013725	7.791333333	pos	Amyl 2-furoate	HMDB0029456	Organoheterocyclic compounds	Furans	Furoic acid and derivatives			37.6	0	M+H	C10H14O3	-1.088747224	2246.789558	2236.290308	2121.567642	2119.997048	2150.196666	2547.919408	2215.627596	2533.83188	2138.380165	2064.062961	2250.577927	2244.797249	2198.713476	2148.799295	2237.757621	2505.298993	2125.964947	2156.168041	2241.895708
8.03_529.2838m/z	529.28381	8.033616667	neg	5beta-scymnol sulfate	57970	Lipids and lipid-like molecules	Sterol Lipids	Steroid conjugates		C16261	37.6	0	M-H2O-H	C27H48O9S	-0.461390118	489.0933186	342.3263277	389.9563637	0.000297236	76.66606012	0.000297236	0.000297236	1178.376377	8498.980939	74.90525702	0.000297236	992.1049726	0.000297236	0.000297236	105.801044	0.000297236	0.000297236	81.88916986	0.000297236
8.45_183.1014m/z	183.1014076	8.449	pos	(±)-threo-Anethole glycol	88562	Benzenoids	Benzene and substituted derivatives	Phenylpropanes			37.6	0	M+H	C10H14O3	-0.89579328	2329.229182	2135.068388	2072.358978	2304.237679	2337.392631	2189.547577	2351.336526	2201.099075	2066.55773	2288.431125	2303.626395	1564.027508	2255.400582	2186.995693	2320.076069	2104.182442	2782.524266	2227.187202	2118.681255
9.11_487.1093m/z	487.1093225	9.111633333	neg	1-O-Galloylglycerol	HMDB0039177	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives			37.6	0	2M-H	C10H12O7	-0.013401186	722.6204692	858.1530261	809.8248932	505.9436225	993.404371	593.7863256	1094.071518	912.7689852	1172.22233	1225.924277	754.8007961	620.2521767	336.0949519	842.3993492	1138.228173	842.1678373	611.3394754	658.5244871	696.0786397
9.56_329.3157m/z	329.3157287	9.55945	pos	"(4E,8E,9Me-d19:2)sphingosine"	LMSP01080012	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			37.6	0	M+NH4	C19H37NO2	-1.690572603	6834.989392	7769.935962	6947.100123	801.7183189	550.1160431	441.1837754	687.615404	499.4454663	420.3946306	243.6443705	592.4223168	578.6787381	672.8809713	185.0543687	638.7260127	309.9026421	312.3302081	383.7141468	1243.838085
9.79_659.3415m/z	659.3415225	9.79065	neg	PI(19:0/0:0)	81192	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			37.6	0	M+FA-H	C28H55O12P	0.335046309	630.2551122	697.6613576	601.2658795	1295.67747	13.80468158	1243.415988	517.8118032	717.6726416	192.4844626	1056.208603	1186.250737	0.000297236	698.7061357	1239.9547	560.1770182	1585.333237	1641.19787	1833.977415	278.1937561
9.90_387.0071m/z	387.0070796	9.896683333	neg	S-Acetyl dihydroasparagusic acid	HMDB0035717	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.6	0	2M-H	C6H10O3S2	0.215724752	9165.660822	9205.0483	9381.062621	9435.012302	9219.545313	9316.591839	9642.447793	9196.90639	10601.61927	9832.708201	9609.085139	9994.740108	9410.68326	9104.59426	9395.188855	9892.685875	9217.488782	10390.34418	8650.229866
0.41_193.1224m/z	193.1223644	0.413883333	neg	12-oxo-9(Z)-dodecenoic acid	35852	Unclassified	Unclassified	Unclassified			37.5	0	M-H2O-H	C12H20O3	-4.897740723	948.4188288	899.0889512	830.3417147	995.1121139	983.6273328	715.6540276	1051.530537	969.8927127	886.406951	1171.480037	960.3520208	898.767265	759.1766106	773.1020659	813.4022166	876.8028736	875.5455502	1074.58734	713.7120705
0.46_147.1167m/z	147.1166818	0.460733333	pos	Thymol methyl ether	HMDB0035989	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.5	0	M+H-H2O	C11H16O	-0.883931411	1654.994627	1535.882155	1568.983536	1474.51615	1563.002512	1932.831608	1675.413407	1652.652019	1489.852573	1828.382758	1676.154333	1694.168111	1398.427726	1388.586912	1734.163133	1824.401334	1537.231919	1741.751343	1597.439864
0.50_195.1014m/z	195.1014417	0.49665	pos	5-(4-hydroxyphenyl)pentanoic acid	HMDB0132270	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.5	0	M+H	C11H14O3	-0.664765146	2815.490268	2538.253961	2449.168429	2607.085984	1981.702438	2557.114015	2679.444648	2819.363289	2459.766075	2662.328946	2233.520802	2661.989982	2582.253804	2236.492562	2583.278243	2804.750966	2500.384595	2982.425038	2437.950327
0.50_221.0811m/z	221.0810611	0.499683333	neg	"5,6,7,8-tetrahydro-2-Naphthoic Acid"	45039	Unclassified	Unclassified	Unclassified			37.5	0	M+FA-H	C11H12O2	-4.948588761	6634.300278	5510.285738	5709.533583	5483.713919	5573.150516	5171.911261	5382.406013	5517.804854	5390.511817	5743.772769	5377.154064	5590.614595	5780.48594	5889.525051	5658.350248	5673.804652	5528.518523	5624.606426	5660.326385
0.62_199.0691m/z	199.0691024	0.623133333	neg	Diphenylmethylphosphine	518	Unclassified	Unclassified	Unclassified			37.5	0	M-H	C13H13P	4.457319399	25515.18719	23418.27305	27419.412	32850.9442	21245.76824	21675.83393	18443.77946	21797.30959	17967.84275	24081.59773	24318.54819	34114.50932	28020.572	26460.42473	24939.7587	27829.99396	27265.5042	32383.22324	32963.25439
0.63_413.1356m/z	413.13559	0.62635	pos	Sonchifolin	HMDB0041139	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		37.5	0	M+K	C21H26O6	-1.354089424	4353.51153	3195.38331	5221.518188	5246.083892	3861.423933	2219.798433	4116.51669	1389.390442	1582.440828	4000.800043	6362.403491	4099.880451	6875.237931	5772.130918	7496.690162	9755.819453	8463.434199	8449.5018	5005.194251
0.64_327.0513m/z	327.0513285	0.643516667	pos	Lamivudine-monophosphate	HMDB0060641	"Nucleosides, nucleotides, and analogues"	Nucleoside and nucleotide analogues	Unclassified			37.5	0	M+NH4	C8H12N3O6PS	-3.041090123	40431.34977	41119.64909	40937.19463	46304.22352	40207.06004	35475.28881	47153.3898	21054.05296	18491.50404	29817.78471	56676.8868	24838.38351	48928.47446	37878.53078	58095.94605	58825.43587	49341.0349	62983.18962	34433.73923
0.64_349.0605m/z	349.0605186	0.641183333	neg	5-[3-methoxy-4-(sulfooxy)phenyl]pentanoic acid	HMDB0127792	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.5	0.0424	M+FA-H	C12H16O7S	2.110940483	52323.74402	48929.94301	51203.64728	57697.42565	48041.08449	47053.67213	55566.23225	32014.70003	31185.80678	47888.12863	64183.06726	34438.62614	59083.49817	58318.37677	54095.07201	64687.89987	55967.28859	70126.72394	52133.8479
0.64_433.0217m/z	433.0217175	0.641183333	neg	CI Acid Orange 3	73073	Unclassified	Unclassified	Unclassified			37.5	0	M-H2O-H	C18H13N4NaO7S	-1.560622212	47155.55283	46934.59467	44163.39801	52340.78504	43528.11567	48891.85565	48022.6876	32868.70112	36643.96341	42783.10608	44292.79892	36439.95565	48635.53104	47033.83664	47798.88793	55880.85677	44791.88884	55523.37959	48586.14499
0.70_316.0435m/z	316.0434918	0.695333333	neg	N-Glycolyl-D-mannosamine 6-phosphate	66166	Unclassified	Unclassified	Unclassified			37.5	0	M-H	C8H16NO10P	-1.306062535	5212.247708	3954.858286	3512.172802	5313.341513	997.1472676	7754.158188	2541.021872	6533.623545	10749.9881	5210.034502	1974.478491	7947.718257	1037.556879	3209.039728	2237.739923	3578.176542	4267.708134	4061.18917	1446.772363
0.71_166.0530m/z	166.0530378	0.712233333	pos	2-Oxo-4-methylthiobutanoic acid	HMDB0001553	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C01180	37.5	0	M+NH4	C5H8O3S	-1.370331174	17286.52387	17539.36984	15784.44962	18222.18551	14769.10676	15432.08617	13020.22863	18859.26354	19401.92896	15631.22334	13080.14125	24063.98518	16207.51294	14856.07095	17527.08443	16861.13127	19283.85314	16479.00913	22937.5225
0.71_262.1029m/z	262.1028723	0.712233333	pos	Aspartyl-Glutamine	HMDB0028751	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.5	0	M+H	C9H15N3O6	-1.874018741	25715.04295	29747.0557	24153.30444	15458.52981	28487.22882	25959.3907	32472.42625	20459.57302	18312.98609	28440.58896	26033.66297	17208.11169	24293.63845	27400.48235	26610.30316	26761.96242	29765.09544	19309.58991	27172.98877
0.73_126.9857m/z	126.9857013	0.7299	neg	α-Thiophenecarboxylic acid	2193	Unclassified	Unclassified	Unclassified			37.5	0	M-H	C5H4O2S	-1.739657814	1504.574825	1466.281933	1442.007032	1240.485556	2816.505038	750.7929505	1227.987866	3910.882002	1764.383362	1861.401779	498.504981	1494.498	1169.0648	1173.602345	1284.659641	635.4886634	1238.741804	626.9448251	1649.403836
0.73_403.0834m/z	403.0834457	0.729216667	pos	"{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid"	HMDB0125870	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones			37.5	0	M+H	C20H18O7S	-2.871781659	21458.87841	23538.32281	17595.62805	22067.54569	7165.430315	22136.34094	21103.49952	31366.89921	26458.58724	14764.14033	21056.54673	46433.26522	17363.5215	17641.73532	18108.44302	24084.69967	24483.92273	22024.69881	23388.66785
0.75_201.0340m/z	201.0339815	0.746966667	neg	Thio-THIP	69652	Unclassified	Unclassified	Unclassified			37.5	0	M+FA-H	C6H8N2OS	0.2870538	7056.668767	6646.56562	6520.252286	4777.448674	7289.183435	9098.15887	4893.253706	6434.167523	7138.042813	8808.338349	4111.745416	8013.815982	11769.24389	8919.359808	6183.929195	4043.032277	6811.640479	5275.420649	7086.743256
0.76_261.0195m/z	261.0195132	0.764266667	neg	"(E)-5-(hexa-3,5-dien-1-yn-1-yl)-5'-(prop-1-yn-1-yl)-2,2'-bithiophene"	LMFA12000358	Lipids and lipid-like molecules	Fatty Acyls	Oxygenated hydrocarbons			37.5	5.22	M-H2O-H	C17H12S2	-2.457057606	68029.71259	86761.32397	88566.94142	58562.09399	83317.62052	66675.07571	84331.33953	41767.16964	42149.38566	73784.74072	77242.95827	41795.98095	75531.11702	73370.13906	75304.93335	66343.41146	79398.85789	51814.12892	65555.64294
0.78_215.1023m/z	215.1023174	0.781033333	pos	DL-Dopa	HMDB0000609	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00355	37.5	0	M+NH4	C9H11NO4	-1.603144908	2184.146552	1440.498997	1374.376901	1675.044786	1131.878692	1291.100306	1095.918352	1934.890864	1279.37445	948.5073922	486.9794539	3050.494164	835.2354668	1417.746953	1294.760423	1500.737267	1808.556011	1501.108427	1648.436595
0.80_255.0728m/z	255.0728245	0.801	neg	D-Glucoheptose	44743	Unclassified	Unclassified	Unclassified			37.5	0	M+FA-H	C7H14O7	3.18398236	1245.985609	789.1018118	1113.01633	677.1366332	168.227165	431.3011041	210.9664432	1910.851619	1178.828713	847.9725849	607.7668006	1133.480117	986.2123284	638.0628879	270.6218651	437.4430804	633.8764786	355.5742894	935.4637318
0.80_413.1220m/z	413.1219563	0.798133333	pos	Deoxyloganin	LMPR0102070005	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids	**	C06071	37.5	0	M+K	C17H26O9	2.982281813	8968.299702	15857.43347	13560.61248	25638.85215	7302.845436	18298.54803	11516.37188	14694.5299	11188.45402	8108.971716	14145.08614	2785.368219	16395.42619	13741.59203	17859.89561	13256.00429	18070.83269	17810.22743	16303.99335
0.83_312.1109m/z	312.1108539	0.833416667	pos	N-Desmethylzolmitriptan	72010	Unclassified	Unclassified	Unclassified			37.5	0	M+K	C15H19N3O2	-0.113507882	9802.237347	10837.615	11207.20758	11700.70746	6962.733259	11292.91785	7271.830835	18934.45433	20938.17308	9324.241696	6392.233537	7968.961829	6552.386212	6365.141916	7595.884737	7669.671701	8300.868896	6792.269938	6912.513633
0.89_147.0802m/z	147.080224	0.89155	pos	4-Isopropylbenzoic acid	44724	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	**	C06578	37.5	0	M+H-H2O	C10H12O2	-1.324503097	1934.366668	1928.670596	2140.481046	1984.09052	1886.910765	1815.604054	2761.082079	2689.42346	3328.261049	2129.503117	2422.388316	2831.208744	1686.789143	2261.865446	2767.454279	2511.481545	2046.339006	1976.033869	1670.792601
0.98_224.0784m/z	224.0784226	0.9796	neg	7-Aminomethyl-7-carbaguanine	HMDB0011690	Organoheterocyclic compounds	Pyrrolopyrimidines	"Pyrrolo[2,3-d]pyrimidines"	**	C16675	37.5	0	M+FA-H	C7H9N5O	-2.737543233	523.3795375	532.3902192	525.9729328	1070.340424	548.6416635	649.7423537	755.7616424	509.5819929	695.4556869	620.2905367	567.0628001	644.8092028	242.4712871	448.6761151	756.5664313	472.9648889	377.7095302	463.540521	495.2767777
0.99_332.2793m/z	332.2793132	0.9872	pos	"9,13-dihydroxy-10-octadecenoic acid"	35502	Unclassified	Unclassified	Unclassified			37.5	0	M+NH4	C18H34O4	-0.706071093	6435.870594	6776.220294	6326.405859	8742.185318	7641.392087	7490.324836	6936.322433	7080.892627	6906.444492	7823.228897	7604.757602	5021.141785	7693.167133	7728.193726	7211.98947	6364.412598	6675.15355	6727.427745	5919.091468
1.06_219.0129m/z	219.01289	1.063433333	neg	Phenylmethanesulfonyl fluoride	66517	Unclassified	Unclassified	Unclassified			37.5	0	M+FA-H	C7H7FO2S	-2.249991304	20559.77739	20654.97001	18244.45258	19759.93037	21012.33087	20173.03095	24019.27841	21928.8899	16799.00571	19303.38581	18665.57168	21333.40207	21038.62166	17414.60932	17900.90508	21083.6282	20213.69717	21377.2908	22806.86294
1.06_233.1129m/z	233.1128933	1.062216667	pos	N2-Succinyl-L-ornithine	63478	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C03415	37.5	0	M+H	C9H16N2O5	-1.312922903	9792.090924	14732.9257	9318.569397	8000.755655	12209.55998	10348.12104	10505.58423	12757.77524	7104.979555	8155.67913	9157.665437	8283.112104	6521.362983	6796.838107	14636.16709	9843.577779	9203.979744	10588.41413	9967.963561
1.14_250.9949m/z	250.9948764	1.13905	pos	2-Hydroxy-6-ketononatrienedioate	63525	Unclassified	Unclassified	Unclassified			37.5	0	M+K	C9H8O6	-1.743346815	1524.851044	1286.520695	1492.59526	2259.216732	1198.152255	1788.574744	1321.983039	1126.730317	1366.462704	1401.192532	1435.626925	880.8365179	1038.159826	1202.823196	1376.604454	1214.217077	1819.700354	1046.707761	1769.233136
1.18_321.0150m/z	321.0149914	1.1797	neg	Sulfotep	72469	Unclassified	Unclassified	Unclassified			37.5	0	M-H	C8H20O5P2S2	-1.463222855	6915.093433	7716.850533	7489.326859	8517.336472	6914.987289	7675.934082	7829.439289	7213.669653	8321.61911	7695.483781	8602.133282	8191.478409	7456.745783	7715.572628	7820.991076	8348.863608	6760.966434	7006.569513	7460.255341
1.18_735.2476m/z	735.2475562	1.1797	neg	"8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside"	51058	Lipids and lipid-like molecules	Polyketides	Flavonoids			37.5	0	M+FA-H	C34H42O15	-4.371260133	8571.028358	8517.237803	9681.599534	7060.291458	7774.692984	8634.504354	10969.64977	5463.913316	6283.996124	9403.436447	8622.035538	9263.932558	10516.58336	7626.134875	9964.958356	9288.415287	10778.35941	12879.84668	10581.87733
1.22_219.1337m/z	219.1336664	1.219283333	pos	Isoleucyl-Serine	85821	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.5	0	M+H	C9H18N2O4	-1.224381949	1347.932424	2025.050745	1636.776784	1124.572138	2633.357573	1438.616313	2325.827026	275.7693325	346.4351026	2361.328983	1496.797156	456.0846463	3188.345983	2652.162863	1638.864655	2472.657336	2293.397142	712.2290665	1959.174581
1.24_245.0588m/z	245.0587569	1.239083333	pos	Penicillenic acid	69194	Unclassified	Unclassified	Unclassified			37.5	0	M+H	C9H12N2O4S	-1.218434457	5714.846049	4816.611638	5408.712409	7136.636096	7300.566555	6082.415574	5709.124669	3682.264145	4997.441356	6614.549018	6244.506539	4989.554911	5725.044224	6039.422099	6780.305506	7811.576819	7221.879285	7581.973674	7642.164929
1.24_431.1405m/z	431.1405454	1.239083333	pos	Melatonin glucuronide	HMDB0060830	"Nucleosides, nucleotides, and analogues"	Nucleoside and nucleotide analogues	1-pyranosylindoles			37.5	2.43	M+Na	C19H24N2O8	-4.755535882	4365.52934	4870.074407	4810.047871	3937.081271	6512.219561	2951.302596	5263.708943	4734.494071	10387.6283	4931.773551	5111.293108	2389.159937	3334.186238	5670.50535	4364.183774	4079.110386	2493.92545	2012.35267	3931.26183
1.28_251.0635m/z	251.0635339	1.278566667	pos	Zebularine	96475	Unclassified	Unclassified	Unclassified			37.5	0	M+Na	C9H12N2O5	-1.351753026	7458.470619	9529.924314	7628.319756	10463.55745	4819.716775	3590.141209	6555.076026	5972.607242	14619.0053	4458.156614	8997.346089	16922.63624	11248.37195	12124.71228	7301.649003	9067.338417	5745.385445	9528.278366	12631.45148
1.32_324.1039m/z	324.1038613	1.317533333	neg	Citalopram (propionic acid derivative)	1785	Unclassified	Unclassified	Unclassified			37.5	0	M-H	C19H16FNO3	-0.873279637	10981.02833	10222.75074	10451.97218	4734.449422	10897.68213	4303.910022	6036.354184	10153.3777	7876.465398	4644.329683	8827.934649	10826.09536	8794.788669	10430.44271	10308.10089	8638.699131	8340.094764	6939.122863	10638.66273
1.34_246.0057m/z	246.0056507	1.335283333	pos	Ammonium peroxydisulfate	92479	Unclassified	Unclassified	Unclassified			37.5	0	M+NH4	H8N2O8S2	-1.675996139	4626.195986	4684.382954	4518.16563	970.4572362	4785.581003	799.1258168	1393.667715	11470.44187	9764.623933	1578.79009	3495.382322	4711.450973	3814.193093	5754.95572	4022.3536	4271.988484	4070.753482	2248.52143	5178.310036
1.42_114.9611m/z	114.9610969	1.417983333	pos	Ethanethioic acid	HMDB0031188	Organic acids and derivatives	Carbothioic S-acids	Unclassified		C01857	37.5	0	M+K	C2H4OS	-4.564847998	2561.400473	2081.555832	2556.515584	2429.546895	1838.46494	1606.684597	2140.436548	1936.387718	2938.263359	2833.157309	2503.329276	2559.592808	2965.052774	3137.348546	2998.401788	2993.490664	3015.887119	3133.575294	2582.651223
1.48_183.1378m/z	183.1378104	1.4757	pos	"(2E,6Z)-2,6-Nonadien-1-Yl acetate"	92844	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		37.5	0	M+H	C11H18O2	-0.801019368	3442.920519	3252.742515	3241.999298	3321.194782	3008.006916	2969.007823	3203.912403	3087.206917	3270.826959	3233.933306	3202.545028	3498.084181	3261.049262	3629.060021	3340.094928	3530.185444	3567.973878	2880.428722	3241.529902
1.49_162.0218m/z	162.0217764	1.494983333	pos	S-Carboxymethyl-L-cysteine	86253	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.5	0	M+H-H2O	C5H9NO4S	-0.916922249	1326.24656	1574.005948	1573.009892	1335.57711	1521.871861	1310.650751	1532.617879	1736.728553	1747.424285	1335.557109	1415.690525	1288.250667	1362.876742	1114.802479	1345.99008	1169.238379	1528.481263	907.6030115	1401.342116
10.21_452.2784m/z	452.27835	10.21133333	neg	Glycerophospho-N-Palmitoyl Ethanolamine	45334	Unclassified	Unclassified	Unclassified			37.5	0	M-H	C21H44NO7P	0.192143969	1705.483759	2851.780659	2038.032578	1286.511752	2028.256249	1804.685714	1662.67311	900.1793622	532.2199858	1431.905428	1478.653853	1103.377179	1793.307875	1730.445494	1359.41672	1313.384209	1534.886196	1261.338957	1254.315792
10.28_546.2563m/z	546.2562816	10.27795	pos	Dutasteride	HMDB0015258	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids			37.5	0	M+NH4	C27H30F6N2O2	2.477271708	16781.26652	13980.23488	13843.45084	14727.25554	14068.70329	15274.19818	16278.65679	12153.37673	11917.41735	14291.05004	14785.08512	11711.46023	15191.6602	17330.97708	16176.96358	17742.43019	15223.34453	15319.81617	18502.51261
10.93_498.3800m/z	498.3800006	10.93288333	neg	(11Z)-eicoseneoylcarnitine	LMFA07070010	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			37.5	0	M+FA-H	C27H51NO4	-0.025015982	1306.462403	860.7758791	907.6864319	0.000297236	839.2402171	987.3656086	792.5177199	1611.296632	1687.576538	958.9076913	0.000297236	0.000297236	398.2831948	573.4139406	0.000297236	331.124007	389.3793709	434.3497293	253.0957486
11.38_311.1613m/z	311.1612806	11.37623333	pos	"8R,9R-epoxy-17-octadecen-4,6-diynoic acid"	LMFA01070050	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.5	2.25	M+Na	C18H24O3	-1.682146389	6382.646355	4208.223247	6796.211029	8317.320731	6305.304404	5401.223929	7700.892128	6502.986993	6758.801765	4517.031084	6601.519515	6173.48565	5893.341224	5760.931952	6370.097053	7599.934007	7988.758699	6924.22241	6751.110515
11.62_463.3418m/z	463.3418251	11.62495	pos	Brassinolide	LMST01140001	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	*	C11049	37.5	7.32	M+H-H2O	C28H48O6	0.050171294	17937.96146	15475.21709	17140.75864	17135.96959	17706.22626	16996.24261	15732.4353	16151.9886	19306.90656	15813.85564	18753.21614	17465.19482	12237.41839	14768.75501	19215.89237	17897.10048	16046.75828	19120.22632	16101.25314
11.85_621.4006m/z	621.4005633	11.8477	neg	Mosesin 4	71507	Unclassified	Unclassified	Unclassified			37.5	0	M-H2O-H	C35H60O10	-0.380516799	907.9311715	895.4477988	741.496401	1229.693536	930.1667255	2608.514246	700.3213132	1095.848405	1509.317734	2996.292402	1327.886628	1589.209876	2266.626669	2082.54666	2694.293761	1742.405032	1680.047492	2352.513467	2067.578806
11.95_619.0200m/z	619.0199751	11.95288333	neg	[2-hydroxy-3-(phenoxycarbonyl)phenyl]oxidanesulfonic acid	HMDB0135171	Phenylpropanoids and polyketides	Depsides and depsidones	Unclassified			37.5	0	2M-H	C13H10O7S	-3.541368822	4466.894504	3722.657317	3885.604095	4033.41048	3062.129567	3825.283192	3860.597277	4368.132146	4068.754159	4509.754929	4497.230971	3823.304236	3258.173734	4161.721238	3927.304175	4249.105759	4152.393801	4213.988018	4077.316152
12.42_459.3072m/z	459.3072445	12.42375	pos	Dihomohyocholic acid	LMST04020034	Lipids and lipid-like molecules	Sterol Lipids	Bile acids and derivatives			37.5	2.08	M+Na	C26H44O5	-1.94972343	36409.23896	31690.55594	36104.92488	33420.03985	32775.75514	36190.17388	38323.98048	36847.48616	41720.55277	34359.30879	35869.13666	33970.10149	36590.81438	34455.57796	35269.13868	33197.72945	36449.60548	37752.1118	34271.81165
12.73_393.1716m/z	393.1716144	12.73208333	neg	Triamcinolone	2902	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids			37.5	0	M-H	C21H27FO6	-0.700202105	11428.22305	10610.87342	10273.07785	8110.6027	8501.260376	7317.754522	9092.45766	7233.711748	8408.82309	7807.757828	9271.139811	9776.848909	8605.919521	8295.031914	7659.697341	6999.847809	7436.035626	10174.33586	6841.63727
12.88_353.2484m/z	353.2484398	12.87805	neg	Cervonoyl ethanolamide	HMDB0013627	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*	C13828	37.5	0	M-H2O-H	C24H36O3	-0.440708309	1085.728765	925.3969196	1321.161186	1096.064279	1093.718558	1539.821031	1354.136077	1078.287459	1008.539225	974.1754065	1224.131447	1587.440003	1454.25685	1049.479776	1345.240393	1973.650641	1393.203062	1256.592604	1518.283556
13.10_151.1227m/z	151.1226557	13.10411667	pos	"3,5-Dimethyl-2-propylpyrazine"	HMDB0039995	Organoheterocyclic compounds	Diazines	Pyrazines	*		37.5	0	M+H	C9H14N2	-2.126130043	3936.5064	3104.374169	3246.991867	3314.433578	3159.992322	3138.94686	3163.882334	3567.786962	2998.054009	3172.360009	3168.221495	3224.591986	3265.625225	3080.09163	3527.208992	3008.410381	3489.570845	3585.00821	3075.78869
15.29_418.9960m/z	418.9959614	15.28595	neg	Dimethipin	72495	Unclassified	Unclassified	Unclassified			37.5	0	2M-H	C6H10O4S2	-2.056546362	3500.450668	3671.935019	3656.305927	3084.336908	2462.129473	3137.147781	2566.875363	4114.063003	2741.026992	3844.962835	3264.979101	2913.542059	3451.305491	2845.779824	3499.829269	3333.661606	3980.688665	4333.626124	3082.358304
15.61_211.1185m/z	211.1185484	15.605	pos	Deoxyguanidinoproclavaminic acid	64561	Unclassified	Unclassified	Unclassified			37.5	0	M+H-H2O	C9H16N4O3	-1.76987041	11714.81582	11429.51591	12546.77655	15535.80662	14557.47041	10246.39779	10632.64947	10561.94721	14462.77294	15196.55773	10725.67508	12240.01256	8662.311305	9272.703486	8535.511706	10787.53915	10393.15457	9947.698736	10395.87727
15.74_176.0927m/z	176.0926913	15.73598333	pos	2-Benzimidazolylguanidine	68668	Unclassified	Unclassified	Unclassified			37.5	0	M+H	C8H9N5	-2.17297411	3270.784592	3945.191624	2869.352188	3791.322579	2134.696085	3822.98157	2166.205242	1528.981225	1938.754289	2903.304905	3184.471754	3244.347788	3611.868905	2080.0787	4300.340841	4388.426638	2654.330031	2885.745351	2575.153702
15.74_185.1897m/z	185.1896514	15.73598333	pos	α-Dodecene oxide	24075	Unclassified	Unclassified	Unclassified			37.5	0	M+H	C12H24O	-1.848520353	5588.792135	5946.374671	6162.522797	6993.476466	6406.096321	6537.707961	6451.062537	6648.471398	6909.409564	6728.795973	6247.333462	6151.30046	6234.210183	6072.182553	6620.231226	6971.928686	6501.298502	6336.878451	6357.937748
15.76_121.1015m/z	121.101522	15.75651667	pos	"1,2,3-Trimethylbenzene"	70120	Unclassified	Unclassified	Unclassified			37.5	0	M+H	C9H12	2.874062478	8284.56723	7512.03042	6906.00293	6939.614669	8056.573024	7393.741987	7660.075031	7604.488251	8233.04974	7975.251418	9363.892541	7127.340285	6392.644869	6490.043513	6173.946951	6687.182073	7163.265711	7182.136226	6916.808007
15.83_133.1009m/z	133.1009339	15.83363333	pos	"p-Mentha-1,3,5,8-tetraene"	HMDB0029641	Benzenoids	Benzene and substituted derivatives	Phenylpropenes	***		37.5	0	M+H	C10H12	-1.83861827	20595.58003	19369.94228	18354.17532	19250.72833	20016.95809	19656.41512	20605.5705	18892.96965	19554.05323	20669.63993	23149.82291	17762.10648	18217.24036	17037.44239	18036.03925	18282.72698	16966.94523	18678.14471	18375.88878
2.08_189.0996n	190.106888	2.076766667	pos	L-Allysine Ethylene Acetal	103470	Unclassified	Unclassified	Unclassified			37.5	0	"M+H, M+Na"	C8H15NO4	-2.624909363	3418.92143	2972.7402	2366.525379	65.96512015	4590.55494	722.9959993	368.5601124	23125.74967	6119.007831	236.0679197	140.6247101	731.46029	459.896485	2104.514852	537.8589559	86.23537244	671.5453279	582.2864698	457.5492676
2.20_267.0734m/z	267.0734133	2.203583333	neg	Methyl 3-mercaptobutanoate	88433	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.5	0	2M-H	C5H10O2S	1.44969224	743.5192383	613.3229382	630.8047562	513.2676425	618.7678903	686.7928511	619.4339966	364.6245527	479.0594576	682.2954479	563.1448847	752.2952346	618.8892719	663.9609092	737.1390832	574.7633871	625.2376207	558.0243136	838.1678926
2.31_551.9913m/z	551.9913122	2.309933333	neg	Adenosine triphosphate	HMDB0000538	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides	***	C00002	37.5	0	M+FA-H	C10H16N5O13P3	-5.199478148	1247.278477	1826.949696	1259.650688	576.3389465	2553.667961	619.0322553	817.3007081	4801.302653	2985.70773	839.6945043	879.8337596	966.2566589	1315.362176	1607.090954	1321.474573	1041.934033	1555.967118	909.2594864	1265.744717
2.88_195.1015m/z	195.1015025	2.8818	pos	"5-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol"	HMDB0133193	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	*		37.5	0	M+H	C11H14O3	-0.351379367	1404.627196	1560.205139	1349.691536	1438.438453	1510.737007	1335.010628	1423.729733	1291.315978	1443.827847	1447.409052	1570.734361	1721.29295	1382.599365	1479.342294	1614.555329	1142.175433	1484.440367	1433.226251	1606.848468
2.98_195.1015m/z	195.1014609	2.979516667	pos	Propioveratrone	265040	Unclassified	Unclassified	Unclassified			37.5	0	M+H	C11H14O3	-0.565691835	1216.942317	1533.317246	1330.531909	1256.193677	1287.728015	1371.044521	1391.727604	1446.881712	1386.739484	1504.292352	1461.316937	1747.401313	1423.234208	1613.645502	1200.942138	1487.612017	1860.183423	1614.630662	1318.907427
3.17_242.0667m/z	242.0666654	3.171883333	neg	L-Dopa	HMDB0000181	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00355	37.5	0	M+FA-H	C9H11NO4	-1.752397508	316.9483268	399.8398285	316.5966511	448.415301	221.3527584	350.4230852	112.7399901	515.1783835	504.9951648	346.0627265	317.0989203	672.9498056	152.8106056	227.1426866	378.5654267	387.1889043	242.1161287	509.0602442	447.150913
3.30_213.1847m/z	213.1847264	3.295016667	pos	1-Ethylhexyl tiglate	HMDB0037626	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.5	0	M+H	C13H24O2	-0.848672506	4293.687896	3676.799381	3755.627721	4403.791565	4121.417122	4154.510541	4219.53234	4316.899444	4207.64144	3684.765413	4425.984176	4072.957278	4079.372864	3545.993755	4814.788342	5023.740064	4100.579307	4319.770679	4231.534012
3.44_417.2456m/z	417.2456203	3.435833333	pos	AL 8810 methyl ester	45019	Unclassified	Unclassified	Unclassified			37.5	7.49	M+H	C25H33FO4	4.939859148	4185.262592	4502.381611	4168.621275	792.7610328	5303.65158	2940.807544	4134.484778	7790.523785	6961.749398	3230.883539	1380.545651	5738.569632	8908.037967	2981.49585	4859.677159	1700.906327	3019.285183	1396.672025	2925.782743
3.50_158.0963m/z	158.0963452	3.498333333	pos	5-APB	96607	Unclassified	Unclassified	Unclassified			37.5	0	M+H-H2O	C11H13NO	-0.460198092	498.677341	444.6127123	611.3072968	646.3708303	577.3306377	526.4820949	497.0742228	686.8785539	605.05907	544.6178634	842.8584774	668.036813	603.030391	490.4670732	664.5960193	645.3454763	545.547177	435.2868342	417.2164784
3.53_445.1282m/z	445.1281744	3.534466667	neg	Lophirone J	52539	Lipids and lipid-like molecules	Polyketides	Flavonoids			37.5	0	M+FA-H	C25H20O5	-2.754743622	1242.485888	1078.535861	1427.941271	1663.837	1684.911334	1402.02095	1482.284142	1046.425519	952.5801891	944.1300556	1025.906402	1391.512209	860.546245	1225.635628	1249.11775	995.541171	1703.52937	1005.176015	1541.702337
3.64_188.0918m/z	188.0918403	3.640283333	neg	2-Deoxy-2-dimethylamino-alpha-D-Glucose	69286	Unclassified	Unclassified	Unclassified			37.5	0	M-H2O-H	C8H17NO5	-4.785822525	885.4910212	789.2558699	780.1948005	381.4027487	1816.074423	472.7301459	402.9816638	2386.575052	1451.678177	369.5340664	576.7403743	564.5915095	597.087659	695.704591	883.3543172	728.4388196	1206.11764	632.948903	826.4087159
3.76_251.1642m/z	251.1641729	3.763516667	pos	Blennin A	88017	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		37.5	0	M+H	C15H22O3	0.007543094	3879.790557	3823.244403	3762.201407	3638.670279	3371.564486	3682.388525	3716.463594	3501.696473	3387.117068	3373.313142	3669.475	5017.398556	3378.653279	3671.767325	3528.433867	3839.396638	3418.547686	3645.706813	3794.687531
3.78_334.0864m/z	334.0864296	3.784616667	pos	Citalopram propionic acid	HMDB0060463	Organoheterocyclic compounds	Isocoumarans	Unclassified	**	C16610	37.5	0	M+Na	C18H14FNO3	4.620376404	11128.38859	12547.84209	10856.86001	13313.10339	10906.87792	12531.21577	7288.056288	11713.99576	12702.58742	11363.85732	11705.18373	10823.89754	10842.23041	11782.6698	16041.50116	14757.9288	11850.43789	14438.47933	10928.80456
3.97_419.2207m/z	419.2207212	3.973566667	pos	Flurandrenolide	HMDB0014984	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids			37.5	13.7	M+H-H2O	C24H33FO6	-4.831222373	2317.35145	1457.981967	2239.123696	2502.729592	1331.42291	3019.55504	1428.343648	5847.447741	4483.007478	257.4432906	582.6684164	5083.162279	213.9688636	1180.568055	1459.027171	1388.876285	925.6335274	515.6667078	1810.108388
4.00_305.0424m/z	305.0424216	3.997416667	neg	Thiobenzamide S-oxide	71172	Unclassified	Unclassified	Unclassified			37.5	0	2M-H	C7H7NOS	0.092487839	810.4263067	749.8550499	517.2885918	866.3919593	1040.898183	1394.28827	1015.314295	443.1227032	174.5073225	1098.001578	823.8900904	537.0734587	990.3627473	872.6309012	1002.450436	708.4205146	1145.587873	931.7707261	1848.06307
4.00_495.2567m/z	495.2566552	3.9952	pos	flumethasone pivalate	4030	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids			37.5	17.3	M+H	C27H36F2O6	2.799133258	15948.12141	17363.64752	14326.90239	14507.36953	13614.67988	12661.79786	23840.05214	18756.125	24585.01024	15467.25587	24856.71611	20518.8385	20338.18323	16936.13457	14332.05713	13810.93699	16559.20072	12639.57923	16183.02222
4.02_699.1021m/z	699.1021167	4.0166	pos	Diadenosine diphosphate	HMDB0001312	"Nucleosides, nucleotides, and analogues"	(3'->5')-dinucleotides and analogues	(3'->5')-dinucleotides			37.5	0	M+Na	C20H26N10O13P2	-4.005495395	34010.38556	40285.0644	35550.75015	27980.3926	26429.50087	33956.9493	29467.69062	53196.18131	52480.45254	26356.08539	28325.38953	63444.01607	32666.55712	27570.62687	32895.79233	34575.81151	30743.97086	31718.76479	30960.29255
4.22_316.1176m/z	316.1176397	4.224166667	pos	Isoneobavachalcone	LMPK12120072	Lipids and lipid-like molecules	Polyketides	Flavonoids			37.5	33.8	M+NH4	C17H14O5	-1.037793483	1686.433249	1878.751343	2012.141619	1855.589142	1871.485711	1869.004856	1464.516894	1587.297507	3222.867851	1569.295948	2226.456347	3692.698769	1391.091576	1713.275544	1884.312206	1815.498791	1478.399551	1753.992004	1699.638496
4.27_411.1076m/z	411.107629	4.267633333	neg	Ononin	LMPK12050014	Phenylpropanoids and polyketides	Isoflavonoids	Isoflavonoid O-glycosides		C10509	37.5	8.04	M-H2O-H	C22H22O9	-2.120602029	3053.210954	3215.864488	3375.656983	4166.442166	2942.948871	3989.006259	3138.379516	2138.222864	2895.215473	3058.694038	3205.748997	3283.226843	3333.17889	3037.641336	4146.491133	3394.319678	3718.782192	4326.457771	3939.764518
4.28_281.1647m/z	281.1647466	4.284433333	pos	"(E,E)-Lansamide I"	HMDB0030190	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Unclassified			37.5	0	M+NH4	C18H17NO	-0.353791937	9139.878676	8065.203364	8639.582628	9600.984523	9145.296578	9134.009338	9414.02503	8774.270825	9043.83829	8934.366651	9734.6179	8945.125609	7718.961547	8220.722167	8860.562275	9056.962296	8784.506096	9151.689288	8534.474991
4.37_450.1868m/z	450.1867998	4.36835	pos	BMPN-benzoic acid glucuronide	682	Unclassified	Unclassified	Unclassified			37.5	0	M+NH4	C21H24N2O8	-0.674377382	1006.259399	1295.886091	1162.821136	1090.80023	1405.449052	552.2153953	1025.744362	2102.676299	1318.874634	514.4148641	1146.987751	2018.073423	875.3312434	1204.62135	950.3908023	1000.239037	1048.112441	1120.250706	675.1640899
4.39_195.0401m/z	195.0401246	4.394533333	neg	(S)-ACPA	69626	Unclassified	Unclassified	Unclassified			37.5	0	M-H2O-H	C8H10N2O5	-4.698232886	504.7152625	569.1725497	535.4279323	605.1978279	603.0469058	768.2803501	184.2225693	924.0691193	545.9382394	489.064046	453.5009228	871.8675075	224.4176733	227.3400649	593.1855427	588.6008832	433.3525137	717.7159802	615.7728052
4.44_285.1107m/z	285.1106872	4.4373	neg	2'-Deoxymugineic acid	70941	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	*		37.5	0	M-H2O-H	C12H20N2O7	4.857589257	623.3681113	701.0410961	527.2075082	248.0936149	236.3686068	175.4293655	495.9368226	305.2302086	1914.789111	333.8826586	362.90143	1126.141173	2372.586947	304.9623782	215.4377954	489.714852	1021.004787	450.3232607	511.020216
4.58_187.1326m/z	187.1326334	4.575416667	pos	"(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol"	HMDB0033217	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		37.5	0	M+H-H2O	C10H20O4	-1.16326581	3341.250185	2946.214456	3370.141785	3538.743802	3593.495321	3502.758696	3271.734383	2908.153231	4048.89311	3353.530346	3590.141644	3416.60074	3119.218047	3174.31735	3521.84274	3499.229494	3402.706999	3384.104801	3268.692612
4.65_277.0327m/z	277.0327246	4.647516667	neg	N-Acetyldjenkolic acid	HMDB0029421	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.5	0.678	M-H2O-H	C9H16N2O5S2	1.696154241	14177.13424	13849.31881	14407.05352	14703.00244	14682.31203	14740.0777	15894.96953	15005.78693	15323.49232	14766.62409	16554.35182	13606.47416	14304.88796	14502.46338	14354.26309	15342.70086	14423.75871	15514.74663	13683.14196
4.91_229.0243m/z	229.0242983	4.91215	neg	(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide	66226	Unclassified	Unclassified	Unclassified			37.5	0	M-H2O-H	C11H8N2O5	-4.764897218	372.4850929	276.5802493	324.7157377	589.0173908	508.5329693	325.3370851	598.6013293	725.7077399	664.5032947	575.4809753	648.8134076	687.3494866	583.5518172	663.3826899	846.0979826	625.7610944	431.999571	638.0870176	562.2140589
5.02_183.1013m/z	183.1013476	5.02275	pos	2-Ethoxy-4-(methoxymethyl)phenol	93074	Benzenoids	Benzene and substituted derivatives	Benzylethers			37.5	0	M+H	C10H14O3	-1.225219984	3526.219197	3610.588317	3585.637665	3738.963262	3670.497537	3791.682595	3685.209861	3337.583607	3540.716366	3731.449938	3664.248293	3063.205218	3422.240322	3534.029084	3621.622428	3663.701633	4088.643346	3648.470933	3205.747782
5.45_213.0548m/z	213.05483	5.446083333	neg	3-(a-Naphthoxy)lactic acid	2176	Unclassified	Unclassified	Unclassified			37.5	0	M-H2O-H	C13H12O4	-3.825239351	389.2557882	493.1521665	424.0651016	503.3555658	533.5834999	404.1738232	521.9700234	514.0525323	606.2591988	456.5163894	668.0979825	396.3337404	446.9367531	502.3564205	488.885163	579.9033054	556.3254276	541.2334154	474.4076199
5.52_162.0911m/z	162.0910767	5.519683333	pos	1-Naphthol	62807	Benzenoids	Naphthalenes	Naphthols and derivatives	**	C11714	37.5	0	M+NH4	C10H8O	-1.830674344	721.0230905	618.4427463	532.7800689	964.6339039	432.5517933	679.9197192	451.2496565	281.1997951	261.3376503	625.7587127	730.4701017	560.2158065	621.8669302	655.6035318	711.6162958	709.9145655	630.5283576	1118.982489	884.0913113
5.59_264.0732m/z	264.0732253	5.5919	neg	1-Isothiocyanato-7-(methylsulfinyl)heptane	93132	Organosulfur compounds	Sulfoxides	Unclassified			37.5	0	M+FA-H	C9H17NOS2	-0.610273616	340.6401701	274.7403153	318.3505103	278.2008442	266.7574681	202.6659064	391.951108	355.2954025	265.6738944	231.5460284	278.0649122	361.1443495	457.7132017	482.1929321	315.9422556	234.811677	240.4991989	131.5328294	634.222846
5.73_599.2625m/z	599.2625223	5.730166667	neg	Myrigalone A	HMDB0037245	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.5	0	2M-H	C18H20O4	-4.197324356	12470.21664	12863.9396	12220.1482	10246.45657	13217.07098	17889.52148	10132.46519	2455.569005	18325.02515	11548.21159	12306.40149	9382.226711	8187.848133	8437.962266	42895.67855	9061.962579	11017.2774	17885.20269	6855.10809
5.86_183.1014m/z	183.1013547	5.860016667	pos	Isoamyl 2-furoate	HMDB0059891	Organoheterocyclic compounds	Furans	Furoic acid and derivatives			37.5	0	M+H	C10H14O3	-1.186454881	3057.910108	2869.2252	2867.784821	3009.03469	2807.040239	2984.226675	3147.852438	2877.115656	3298.819838	2806.344167	3076.252238	3200.573794	2725.481272	2781.143769	3036.602768	2947.568847	2897.203022	3171.390055	2823.934889
6.00_183.1013m/z	183.1013133	5.999866667	pos	Peperinic acid	HMDB0038181	Organoheterocyclic compounds	Benzofurans	Unclassified			37.5	0	M+H	C10H14O3	-1.413592537	3548.849342	3544.186915	3459.760208	3420.615605	3233.391849	3387.091874	4120.835252	3609.263926	3639.960881	3373.73636	3615.969636	3438.418881	3220.065464	3557.176748	3605.098176	3729.017716	3633.871253	3609.42191	3405.389692
6.10_349.2019m/z	349.2018688	6.102316667	neg	"11beta,17beta-Dihydroxy-4-androsten-3-one"	HMDB0060339	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	**	C18075	37.5	0	M+FA-H	C19H28O3	-0.587895273	490.558397	426.9299958	528.656905	581.8100509	1142.70386	728.9488814	729.6534394	742.2698514	271.7983777	518.3314043	955.1782049	757.3372899	192.9229703	232.6413799	404.4469443	641.9547905	536.4366596	624.3251421	133.1333301
6.31_394.2356n	393.2283438	6.3092	neg	"3'-Methoxy-[6]-Gingerdiol 3,5-diacetate"	HMDB0040569	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		37.5	0	"M-H, M+FA-H"	C22H34O6	0.206421222	1902.437672	1686.809965	1624.852493	2874.549394	1108.804999	3080.254145	1551.829347	202.4568578	285.1344657	2073.706493	2908.253697	41.1693904	2312.053074	3002.321375	3129.074992	2076.498553	2359.902263	2768.237659	1261.658173
6.43_401.0872m/z	401.0871805	6.42565	neg	"6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone"	LMPK12050118	Unclassified	Unclassified	Unclassified			37.5	0	M+FA-H	C19H16O7	-1.75584579	908.4874082	952.7468056	744.2500397	1073.959746	1045.256082	690.8876519	1459.946176	1057.044785	1242.561714	975.7038201	1532.522641	1070.676378	778.162399	1042.08401	900.1992281	909.9034983	943.96053	1082.657558	1085.211847
6.79_450.2069m/z	450.2069495	6.792666667	neg	Formylmethionyl-leucyl-phenylalanine methyl ester	68923	Unclassified	Unclassified	Unclassified			37.5	0	M-H	C22H33N3O5S	0.296395218	761.2221196	911.0067823	934.150523	729.3941341	1292.901427	1050.61039	1094.725629	554.8650865	669.9895518	1209.559606	1044.101421	894.5892918	986.4504015	839.8974744	843.8228457	740.886418	877.4995071	828.1444042	618.4958642
8.11_183.1014m/z	183.1013693	8.109116667	pos	4-(Ethoxymethyl)-2-methoxyphenol	HMDB0037641	Benzenoids	Phenols	Methoxyphenols			37.5	0	M+H	C10H14O3	-1.106226258	2698.946604	2234.764271	2232.351105	2373.755476	2167.283586	2279.545546	2460.969198	2232.81943	2201.288473	2261.795871	2487.045633	1725.276106	2144.702105	2108.635349	2612.920655	2099.46373	2220.405824	2271.121166	2207.435239
9.44_285.2783m/z	285.2783125	9.4351	pos	10-methyl-heptadecanoic acid	LMFA01020013	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.5	1.44	M+H	C18H36O2	-1.739056281	4980.707455	4365.954265	4205.359835	4364.461769	4559.134023	4546.155818	4646.648169	4178.48266	4467.695359	4292.75844	4702.033476	4068.242819	4347.501667	3842.330195	4659.371807	4181.113	4190.561614	4409.291671	4139.055839
9.60_417.2284m/z	417.2284366	9.603533333	neg	9'-Carboxy-gamma-tocotrienol	HMDB0012869	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.5	0	M+FA-H	C23H32O4	0.468036494	291.0814149	269.99483	242.9506353	1687.403309	0.000297236	78.13561562	2442.384313	0.000297236	152.4102666	246.0984339	384.5536965	171.1917201	116.4041039	163.5277722	524.081778	166.8559547	82.82130773	93.04179585	65.99623345
9.73_149.1323m/z	149.1322998	9.7295	pos	1-Methyl-4-(1-methylpropyl)-benzene	HMDB0061809	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.5	0	M+H	C11H16	-1.195819856	1033.721479	1198.490834	1017.720474	1226.449399	1247.62281	1157.288673	1566.899457	1159.3457	1232.679288	1359.908798	1568.383091	1408.88474	1320.076688	1180.808286	1333.201599	1278.299838	1107.065242	1171.954955	1461.065603
9.77_163.0751m/z	163.0750913	9.77185	pos	2-PROPYL-3-HYDROXYETHYLENEPYRAN-4-ONE	44404	Unclassified	Unclassified	Unclassified			37.5	0	M+H-H2O	C10H12O3	-1.470095597	5033.261369	4871.342749	4939.087982	4929.477473	4771.476588	4802.064759	4886.323132	5442.665238	4722.30638	4926.074208	5106.15844	5052.481517	4677.409	4968.396024	4763.546167	5683.871801	5149.179933	5086.930199	4726.088863
0.27_157.0226m/z	157.0226167	0.266316667	neg	"4-phenyl-5-methyl-1,2,3-Thiadiazole"	45304	Unclassified	Unclassified	Unclassified			37.4	0	M-H2O-H	C9H8N2S	-2.053108819	2632.700227	2022.482157	2284.868764	2250.23672	2278.808646	2045.563729	2166.009866	1998.506035	2198.406133	2134.658873	2001.971515	2753.707114	3232.577806	3599.259023	3738.202467	3067.871479	2528.45942	2322.292918	2314.045742
0.35_214.0894m/z	214.0894393	0.346016667	pos	2-(4-Methyl-5-thiazolyl)ethyl isobutyrate	HMDB0032422	Organoheterocyclic compounds	Azoles	Thiazoles			37.4	0	M+H	C10H15NO2S	-0.876702874	14872.62412	12887.93875	13995.03375	13816.25181	12633.71589	13441.81893	13847.86584	15390.42367	13056.62747	13434.61481	15252.45901	12165.49496	12927.72374	13078.32292	14615.81127	14803.43001	13423.38841	13946.97744	13319.95365
0.36_147.1166m/z	147.116645	0.364	pos	Norbicycloekasantalal	HMDB0036719	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.4	0	M+H-H2O	C11H16O	-1.10792895	1828.896622	1580.85233	1624.969681	1632.680365	1736.665059	1651.02933	1735.325306	1629.65125	1845.629209	1618.990594	1555.090437	1792.588435	1759.86503	1660.101562	1777.431581	1520.838909	1467.407764	1517.899182	1639.976088
0.58_148.9485m/z	148.9485129	0.582133333	neg	Hypothiocyanite	HMDB0012974	Organosulfur compounds	Thiocyanates	Unclassified			37.4	0	2M-H	CHNOS	0.133474102	3928.152234	5251.41272	5013.834339	3616.472862	3692.30767	4106.537929	4301.544599	4306.456204	4283.705213	5182.533687	4430.173969	3387.83916	4104.197098	4532.245206	3912.755698	3643.872741	4482.094666	3648.787711	4695.256094
0.59_158.0124m/z	158.0123579	0.589883333	pos	Sulfoacetic acid	64745	Unclassified	Unclassified	Unclassified			37.4	0	M+NH4	C2H4O5S	4.201900523	684.6041295	1032.929351	801.4160672	698.8185107	629.9040998	790.2960271	1276.835111	997.9747722	925.6827808	1221.262055	952.3488374	227.5634785	745.8096418	913.214278	435.0500386	795.6440823	566.0789912	587.1181901	1172.334409
0.62_260.1251m/z	260.1251098	0.623133333	neg	N6-beta-Aspartyllysine	HMDB0004985	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.4	0	M-H	C10H19N3O5	-0.323729113	629.5849816	782.7641207	618.6688063	411.0722041	1456.991324	975.7847501	685.2792906	545.7051865	594.7321454	688.2736854	655.0215612	616.8262217	608.6577623	591.6143517	707.7530865	402.2133244	1014.870444	596.4434525	740.4868056
0.62_420.1423n	465.1345336	0.623133333	neg	Melampodin A	67753	Unclassified	Unclassified	Unclassified			37.4	0	"M-H, M+FA-H"	C21H24O9	0.554713917	8673.766233	5468.878907	7343.723304	7548.146637	7145.615184	6101.949682	6128.422965	6637.391605	4747.006213	8259.981468	6664.096924	7180.065939	9051.883938	9360.253113	6430.61149	8703.785756	6359.494149	9663.196629	12864.17728
0.62_463.0411m/z	463.0411204	0.623133333	neg	"6-Cyano-7-nitroquinoxaline-2,3-dione"	69622	Unclassified	Unclassified	Unclassified			37.4	0	2M-H	C9H4N4O4	4.067644905	2533.457269	1738.05516	2365.999888	1919.947592	2013.016166	2690.440984	2751.076332	1593.511568	2357.081624	2339.530262	2859.427496	1114.51793	2261.440878	2755.105923	2244.015262	2513.402735	1973.611167	2928.171091	2381.269895
0.64_265.1328m/z	265.1327636	0.643516667	pos	GSK 4716	70995	Unclassified	Unclassified	Unclassified			37.4	0	M+H-H2O	C17H18N2O2	-2.750321543	34260.23127	60544.04559	45028.29456	41797.43022	17382.04448	85002.20153	14366.15041	20119.7315	24236.1803	25043.96226	19212.78183	46900.91146	53225.8143	27816.56744	41165.12272	36026.34175	50515.25535	73562.95361	86914.70359
0.66_279.0153m/z	279.01535	0.658766667	neg	"4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol"	HMDB0034453	Organoheterocyclic compounds	Bi- and oligothiophenes	Unclassified		C04486	37.4	0	M+FA-H	C12H10OS2	-0.682973264	1339.062704	1087.835133	1883.511459	1109.559269	454.6050274	528.6641817	1145.633079	0.000297236	0.000297236	1159.859394	441.0603403	1239.196284	2073.165951	2176.529651	850.6727712	956.2247906	396.2114186	0.000297236	2176.920287
0.70_126.0017m/z	126.001663	0.695333333	neg	2-Acetylthiazole	88863	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			37.4	0	M-H	C5H5NOS	-1.931825057	62471.61066	59235.13192	56763.48712	61714.72143	66876.71622	63238.10676	60620.00214	82243.0914	73695.70876	59335.95907	60238.06906	59097.03669	53634.21969	53187.12512	51806.23898	57457.62797	53438.66101	58172.38289	53995.20651
0.70_258.0750m/z	258.0749785	0.695266667	pos	HDBA	44870	Unclassified	Unclassified	Unclassified			37.4	0	M+H-H2O	C14H13NO5	-4.019672755	23384.77561	25863.71568	18294.36816	23141.85247	30306.59645	29798.06933	22941.5769	28067.22971	21919.75849	21920.07148	22251.9672	6079.151336	20163.33347	30463.76129	6780.044739	21987.80482	25224.1128	30650.20227	24356.95793
0.71_196.0734m/z	196.0733636	0.712816667	neg	Phenicarbazide	73190	Unclassified	Unclassified	Unclassified			37.4	0	M+FA-H	C7H9N3O	3.963788988	8965.507624	10861.02297	10039.09533	9164.65046	10160.57696	10835.233	11284.7613	10023.88454	10462.92272	10422.65034	13280.5006	9188.085793	8401.591676	10042.62408	8535.036836	11344.8445	12014.99861	12874.17556	8673.909515
0.71_277.1038m/z	277.1038061	0.712816667	neg	4-(Glutamylamino) butanoate	HMDB0012161	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C15767	37.4	0	M+FA-H	C9H16N2O5	-1.371567874	10150.88183	10634.48727	10349.22828	13252.58601	10086.50222	11924.74446	8545.552438	7424.35762	10407.68332	11032.04895	13201.87292	10027.64656	10322.46407	9427.918699	16167.69824	12870.35061	13303.67132	15394.20629	13397.03365
0.71_321.0940m/z	321.0940489	0.712816667	neg	Gamma Glutamylglutamic acid	62460	Unclassified	Unclassified	Unclassified			37.4	0	M+FA-H	C10H16N2O7	0.344750016	16558.95813	15027.18189	13235.78241	23524.43442	9466.677388	34437.87006	8806.302193	21368.20627	23439.04459	16580.6622	16452.5518	21275.67208	14075.38728	8187.704466	10620.86725	16239.99618	7356.146998	10200.48208	11984.42823
0.71_435.1274m/z	435.1274215	0.712233333	pos	1-(3-Methylbutanoyl)-6-apiosylglucose	HMDB0039953	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		37.4	0	M+K	C16H28O11	2.780854924	29022.70042	30785.55861	42059.09183	35883.61918	32371.30031	19895.41071	26796.42584	34398.04626	49800.83495	23049.80618	28463.95126	41357.72239	21693.62002	35572.50358	25978.40293	31234.85589	26250.15263	26557.12361	28309.53549
0.73_427.0891m/z	427.0890919	0.7299	neg	"2-hydroxy-3-(2,4,5-trihydroxyphenyl)propanoic acid"	HMDB0128186	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified			37.4	0	2M-H	C9H10O6	2.084288289	11897.44697	15156.99718	10001.36142	11081.76427	7020.245226	8323.674564	13590.5451	7897.051702	1555.540713	5287.833331	12368.94565	10698.93986	9011.390917	7594.033485	11056.14896	12472.84754	16123.62333	10208.27338	10538.16024
0.76_185.0026m/z	185.0026388	0.764266667	neg	aluminum acetate	4000	Unclassified	Unclassified	Unclassified			37.4	0	M-H2O-H	C6H9AlO6	-4.762678302	1727.011629	1467.400758	1465.937564	2566.077678	667.9315657	1899.724516	903.9104995	1119.728588	658.1085935	707.8107498	1402.64783	2027.127877	1059.698892	1341.636637	1635.70456	1548.363749	2183.776215	1699.061122	1815.816701
0.76_228.0096m/z	228.0096386	0.764266667	neg	ACEPHATE	44455	Unclassified	Unclassified	Unclassified			37.4	0	M+FA-H	C4H10NO3PS	-2.541452158	4843.03468	4739.099912	4179.595184	3748.79862	4317.692195	5326.483443	4545.157982	3582.403805	3015.723375	5445.342615	3800.186603	4945.505755	5180.865783	5371.582358	6688.684684	5987.394322	5946.831038	2918.661914	4289.741973
0.78_321.0225m/z	321.0225218	0.781716667	neg	6-Phosphogluconic acid	HMDB0001316	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	***	C00345	37.4	0	M+FA-H	C6H13O10P	-1.138572629	7009.868161	8832.045464	7949.766098	6323.769511	8892.884509	6011.315588	10325.80583	5135.505342	5565.593829	5428.783494	6881.148847	5047.801569	7359.297266	6509.68226	7612.355296	6295.162348	5855.490886	4689.269867	5403.201805
0.85_172.0400m/z	172.0400239	0.850933333	pos	L-Methionine	HMDB0000696	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00073	37.4	0	M+Na	C5H11NO2S	-1.652939841	5259.662908	5892.189531	5029.89523	6466.404068	5082.710393	5333.52865	5737.880392	4673.149453	4065.280151	5395.000258	5752.838683	5884.105508	7111.645705	6500.797358	6423.356917	6090.788967	5668.408337	6477.374846	8740.386873
0.86_374.0516m/z	374.0516125	0.85685	neg	Cyclic AMP	HMDB0000058	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Cyclic purine nucleotides	**	C00575	37.4	0	M+FA-H	C10H12N5O6P	2.704295137	4476.115838	5517.062527	5964.823929	5159.349752	5725.247325	5522.142971	5966.057078	4666.288671	4525.86855	4558.994131	5477.777414	4651.768242	5601.81884	5971.701025	5774.05551	6342.611629	6053.435144	6533.379522	5524.078177
0.86_426.0226m/z	426.0225897	0.85685	neg	ADP	HMDB0001341	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides	***	C00008	37.4	0	M-H	C10H15N5O10P2	1.056651135	12035.21131	15806.16261	16057.66545	16404.32301	15011.3998	13918.45981	14660.54625	19652.03977	22660.6632	16920.99471	14009.16075	15130.95939	12999.62088	12497.92784	15036.91987	14526.88186	15016.21046	17270.83189	15076.85249
0.88_338.0867m/z	338.0867192	0.877566667	neg	"(+)-2,7-Dideoxypancratistatin"	69398	Unclassified	Unclassified	Unclassified			37.4	0	M+FA-H	C14H15NO6	-4.848060269	2012.094082	2132.504078	2452.514918	2646.992079	2910.772794	2187.263747	1709.521324	2571.368716	2026.818537	2530.257571	2737.966294	2092.197731	2492.910755	1742.255634	1776.519301	2172.265884	2067.273069	2876.474857	4100.33959
0.92_310.1142m/z	310.1142283	0.919466667	neg	D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose	HMDB0038663	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.4	0	M+FA-H	C10H19NO7	-0.477143016	1048.85966	944.1661804	896.2985919	977.6431041	1224.846583	705.44637	1176.666791	589.8484298	1057.154612	1689.045768	996.9380493	1064.500536	1020.990304	999.9797341	1196.88099	856.0381495	928.995356	1114.407815	1216.695474
0.99_197.1536m/z	197.1535732	0.9872	pos	alpha-Campholene acetate	88250	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.4	0	M+H	C12H20O2	-0.168972143	6290.99932	7319.489171	6574.81009	7209.34729	6461.112279	7139.534082	6477.22289	5929.22795	6794.120479	6397.167504	6564.712809	5243.141006	7250.193618	5935.435413	6463.416995	6187.341175	7242.593158	6270.268594	6115.278079
1.06_248.1005n	249.1069407	1.062216667	pos	Glutamylthreonine	HMDB0028829	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.4	0	"M+H-H2O, M+H"	C9H16N2O6	-1.270432836	61929.93706	65812.30193	64817.53242	60874.6258	104258.8852	92868.57232	58740.41215	26917.84406	29894.45443	82662.94761	74669.81543	58122.23182	56912.22979	47615.13187	60442.71991	63775.5099	69906.00615	64926.39428	51996.21996
1.08_448.1028m/z	448.1028493	1.081483333	neg	Cyanidin 3-glucoside	HMDB0030684	Organoheterocyclic compounds	Pyrans	Pyranones and derivatives		C08604	37.4	2.38	M-H	C21H21O11+	3.872736493	96648.62988	92449.62194	98669.22421	67648.89458	48809.73391	91056.63205	38190.32825	179345.1204	285136.519	58432.06997	56611.36299	165312.5012	69382.57332	60316.54909	50762.71748	62349.8107	63101.60283	81144.69031	121201.9876
1.18_508.1836m/z	508.1835627	1.1797	neg	Ritodrine glucuronide	2356	Unclassified	Unclassified	Unclassified			37.4	0	M+FA-H	C23H29NO9	2.4359626	1686.682488	1544.022818	1850.239849	1441.85467	1912.450942	1446.520011	2174.111071	1359.009682	1000.556709	1162.429575	1012.377671	1332.39884	2309.903791	1425.321696	1492.50941	1899.417172	1609.693589	1999.976913	2299.433037
1.18_667.2602m/z	667.2601965	1.1797	neg	19-Hydroxydeacetylnomilinic acid 17-beta-D-glucopyranoside	92436	Lipids and lipid-like molecules	Saccharolipids	Unclassified	*		37.4	0	M-H2O-H	C32H46O16	-0.798202702	7651.686775	8486.430838	7026.845596	5172.273796	5918.834797	6954.547945	8419.520938	5747.139483	5726.891877	6636.291315	7552.103083	7797.114027	9427.024675	6978.100144	7847.684883	7611.769842	8465.278302	10197.64603	11589.82923
1.26_380.0611m/z	380.0611422	1.259833333	neg	Dihydroneopterin phosphate	HMDB0006824	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	**	C05925	37.4	0	M+FA-H	C9H14N5O7P	-0.433064998	4194.904138	5082.805495	4170.644897	6490.041144	5587.152334	3343.786991	5604.477729	5315.507186	7031.311622	2013.516206	6944.340951	3217.529821	3913.497065	4204.807391	2606.896225	3337.366111	2278.274055	3286.768939	1542.906774
1.30_243.0985m/z	243.0984956	1.297066667	neg	Hydroxyprolyl-Hydroxyproline	HMDB0028864	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.4	0	M-H	C10H16N2O5	-0.612890017	424.7082113	244.8248586	339.6384496	0.000297236	369.9264198	581.2434855	0.000297236	334.7550855	298.0991947	675.4786066	0.000297236	348.33734	0.000297236	287.0305514	0.000297236	73.0393147	111.1084837	55.33879646	56.64003713
1.30_709.2006m/z	709.2005586	1.297066667	neg	Pectolinarigenin 7-(4'''-acetylrutinoside)	49554	Lipids and lipid-like molecules	Polyketides	Flavonoids			37.4	0	M+FA-H	C31H36O16	3.042187538	5732.871291	7061.2198	7624.028503	5387.869103	6533.632996	8640.413892	8977.483111	3497.817707	2633.503951	5395.479345	10645.95681	5245.04687	5802.289126	4774.191631	5997.477946	8101.229318	6605.466874	7437.079779	11558.05104
1.34_201.0370m/z	201.0369726	1.336933333	neg	Chrycorin	90485	Organoheterocyclic compounds	Oxanes	Unclassified			37.4	0	M-H2O-H	C12H12O2S	-4.48459462	826.7327758	723.0019169	982.5479431	439.0523373	871.3399156	662.1845907	647.3445632	1323.610985	1025.063866	627.0877443	590.1516579	769.483109	800.3897921	981.9415471	760.1352706	565.2208177	809.8619554	604.3440001	957.2335116
1.34_231.0448m/z	231.0448184	1.336933333	neg	"Pyrene-4,5-dione"	72095	Unclassified	Unclassified	Unclassified			37.4	0	M-H	C16H8O2	-1.442319477	999.8763996	811.9021775	1387.149784	317.2395459	918.63474	611.1365154	773.4958064	1957.104054	1673.781493	397.5093132	595.0141473	834.368893	1160.237981	1649.557427	793.7764156	785.2719689	1340.408648	1005.055732	1442.249568
1.34_261.0068m/z	261.0067897	1.336933333	neg	Dihydrocaffeic acid 3-sulfate	96079	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			37.4	0	M-H	C9H10O7S	-2.509576261	2517.162361	1975.8285	2237.660343	230.0643366	2381.384779	284.0046485	512.6967828	11662.28346	8478.05879	250.0454704	1127.783656	2703.11319	1248.510052	2711.756607	1887.10974	1344.295606	1338.368288	681.4414468	1890.912595
1.34_275.0475m/z	275.047455	1.335283333	pos	"cis-4,5-Dihydroxy-4,5-dihydropyrene"	72093	Unclassified	Unclassified	Unclassified			37.4	0	M+K	C16H12O2	2.403081244	2300.900599	2257.840674	1985.740006	282.8898016	2791.571117	177.912163	318.5282641	14960.41066	11040.34688	0.000297236	736.8309914	3017.755361	1356.877738	3246.89603	2373.901492	1264.804904	1409.486928	374.1436329	1948.797576
1.38_161.1324m/z	161.1323817	1.375966667	pos	"11-Methyl-7-oxatetracyclo[6.3.1.01,6.04,11]dodecane"	HMDB0035055	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.4	0	M+H-H2O	C12H18O	-0.534946112	4986.448605	4555.069815	4794.89008	4633.522544	4732.896856	5243.049212	4988.739483	4847.612281	4947.304237	5240.823187	5174.423507	5141.06431	5070.082722	4799.483197	5121.789981	5195.513977	5070.172409	5253.118996	4766.780066
1.44_244.1187m/z	244.1187243	1.44135	neg	N-Acetyltranexamic acid	2894	Unclassified	Unclassified	Unclassified			37.4	0	M+FA-H	C10H17NO3	-1.617096641	734.8378202	758.955168	749.6603997	780.7092205	417.0767299	1029.185283	512.323411	1450.049087	1519.730606	685.1591806	472.6351484	740.1476339	596.478013	499.5566475	635.0277767	563.9230722	679.9465528	729.8185386	539.6707772
1.46_549.0877m/z	549.0877277	1.4621	neg	AM630	44961	Unclassified	Unclassified	Unclassified			37.4	0	M+FA-H	C23H25IN2O3	-2.90783169	3857.319617	4155.208524	3345.272812	3919.575516	4018.917748	4022.788809	8237.63973	1466.487276	1395.889462	5394.368876	4544.123046	873.3469069	5230.133429	4318.953837	3497.456059	3340.200632	3516.86687	2655.272236	5287.425552
1.83_237.1461m/z	237.1461373	1.826466667	pos	9-keto lauric acid	35734	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.4	0	M+Na	C12H22O3	0.103135531	3617.512046	4291.997734	3931.574317	3780.625954	3749.503476	4421.088334	4237.291196	4028.358389	3830.756334	4145.650664	4581.422034	3921.632818	4142.218847	4002.518118	3958.572639	4120.200916	3660.266294	4329.707376	3580.943255
1.84_367.1408m/z	367.1407603	1.8434	neg	"3,4-Methylenepimelic acid"	HMDB0059730	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.4	0	2M-H	C9H12O4	2.496275688	624.4024543	564.8499006	570.324826	469.2195855	704.3719849	439.8757954	550.0264495	1199.213193	944.5946764	458.9290925	650.6891745	1051.874058	386.2963008	541.5449274	494.9261926	470.3813126	452.0666782	560.3675299	413.2230449
1.89_267.0962m/z	267.0961527	1.886633333	neg	"2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole"	69104	Unclassified	Unclassified	Unclassified			37.4	0	M-H	C16H16N2S	0.036001782	4715.688024	5132.442582	4765.365484	4588.736366	5225.537876	4801.057594	4546.862086	5435.102453	5569.930754	5438.092953	4405.804006	5640.270274	4644.830197	4447.765705	4482.849643	4032.162776	4820.054514	4381.121178	5162.871889
10.02_478.2554m/z	478.2554311	10.02045	neg	N-Formyl-norleucyl-leucyl-phenylalanyl-methylester	68970	Unclassified	Unclassified	Unclassified			37.4	0	M+FA-H	C23H35N3O5	-1.022461234	408.6272176	411.2296307	497.7019872	893.1304305	451.5733489	538.4736186	681.9737859	135.1798308	591.5673886	225.9452084	693.2255042	538.3485772	1121.658531	916.5183163	452.1898835	357.5533857	247.3357236	372.7803755	1005.570351
10.18_492.3679m/z	492.3679082	10.17525	pos	"(3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one"	90480	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	*		37.4	0	M+NH4	C29H46O5	-0.931534749	2528.524928	3320.06098	3009.353335	2170.261515	2836.298964	4212.779366	2399.132103	6644.100187	6032.272127	3160.258851	1303.122367	5784.441043	3047.940066	2286.021293	1630.374344	2591.869727	3196.93154	2559.131248	1282.404294
10.42_512.3206m/z	512.3206485	10.42301667	neg	Maraviroc	85537	Alkaloids and derivatives	Tropane alkaloids	Unclassified			37.4	0	M-H	C29H41F2N5O	0.014697403	4040.152623	4073.41339	4391.671106	4396.270918	4482.13919	4335.636656	5997.808171	5044.894332	7341.393208	3274.947698	4693.318001	5870.55908	5537.085724	4241.415366	3604.197847	3276.833012	3517.199383	4904.381182	4046.856697
10.53_524.2993m/z	524.2993493	10.52578333	pos	Anopterine	67093	Unclassified	Unclassified	Unclassified			37.4	0	M+H-H2O	C31H43NO7	-2.429595611	602.652201	345.0354057	615.9374797	867.7635512	1471.725939	880.8209582	929.2885121	2000.620871	2105.454222	1592.373362	342.7218172	1366.263992	375.8704882	638.8243638	1268.107978	1422.833581	1344.004244	1134.516091	1388.562432
10.59_773.0570m/z	773.0569539	10.59338333	neg	Thifensulfuron-methyl	68721	Unclassified	Unclassified	Unclassified			37.4	0	2M-H	C12H13N5O6S2	3.591416654	32656.97494	26883.14357	31436.09236	36804.01323	30934.60369	34426.9799	31027.60302	29941.50695	28400.21488	30026.51645	31891.8247	33588.29927	34227.9224	35318.58628	35761.82575	35405.68486	31874.07044	33913.91218	29312.68069
10.80_300.2892m/z	300.2891825	10.79778333	pos	(Z)-13-Octadecenoic acid	HMDB0041480	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.4	0	M+NH4	C18H34O2	-1.854311005	2989.117548	3570.062646	3228.563822	3388.190251	3095.762042	2927.630529	2634.558811	3490.113909	2849.059653	2653.703777	2750.43737	3343.80132	3558.017852	4827.382914	3795.146416	3023.603005	4292.855882	3744.13798	3359.187305
10.95_455.2028m/z	455.2028108	10.9545	neg	TEBUTHIURON	44583	Unclassified	Unclassified	Unclassified			37.4	0	2M-H	C9H16N4OS	2.461518959	8136.44041	7916.698633	10073.39529	8338.822419	5264.103332	11800.8926	6829.386191	13196.10885	6032.309127	7441.595408	6706.333679	17934.36186	6175.407676	5865.063906	10499.64372	10853.78837	11886.34872	14364.93583	13102.02663
10.95_769.5025m/z	769.5025224	10.9545	neg	"PG(16:0/20:4(5Z,8Z,11Z,14Z))"	HMDB0010580	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols	*		37.4	0	M-H	C42H75O10P	0.017680276	158092.2928	156614.5289	134642.7145	133288.06	71168.03627	86461.78125	113908.2868	106450.466	127106.6531	128543.0801	171517.9393	187037.4228	226806.9726	170082.6083	175404.4291	149172.2168	119312.5335	129732.7636	122152.8576
11.11_323.1687m/z	323.1687192	11.10751667	pos	Butyl 3-O-beta-D-glucopyranosyl-butanoate	98328	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides			37.4	0	M+H	C14H26O8	-4.112975084	1543.681565	1685.711857	1608.571499	851.0971067	1101.338604	927.691893	2617.465633	1959.94119	1100.705185	1342.403474	1569.992649	1497.606204	1846.034579	1186.732565	1440.565935	1190.906146	1622.299664	1897.930211	1536.986807
11.97_551.0322m/z	551.0321605	11.97475	neg	"4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid"	HMDB0136072	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins			37.4	0	M+FA-H	C21H14O15	1.35932604	6110.381032	6186.543229	7304.071888	5860.391389	5843.298654	6857.790276	7763.45156	7337.490757	6344.101339	7220.635741	7259.272656	5566.115127	6133.824266	5540.690127	6972.944648	7685.044717	7676.682017	6659.10462	4654.605473
12.25_402.3011m/z	402.3010607	12.24875	neg	CB-25	45213	Unclassified	Unclassified	Unclassified			37.4	0	M-H	C25H41NO3	-0.761285641	364.0868931	488.2336995	365.6692395	841.5940254	410.6124802	528.8691219	334.2083687	522.0319916	444.9199377	424.4711364	491.5073667	1125.684478	564.6227986	587.3453707	292.9163648	792.8354605	601.0659378	782.7291371	564.681276
12.35_474.3009m/z	474.3009109	12.35293333	neg	N-docosahexaenoyl phenylalanine	75476	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.4	0	M-H	C31H41NO3	-0.961107538	1801.470437	1397.487265	1665.495403	4168.892737	1411.830428	1869.690764	929.5893582	1823.875173	960.3145005	1372.201741	2101.646838	3335.65815	2010.379293	1840.969069	2348.529776	2151.833294	2773.468349	2986.363511	2028.688405
12.54_173.0018m/z	173.0017583	12.54275	neg	Phenolic phosphate	65822	Unclassified	Unclassified	Unclassified			37.4	0	M-H	C6H7O4P	4.824023465	773.9806038	806.5688162	884.125927	888.1719226	790.3671414	914.5569019	1095.472567	879.1721163	992.5069685	1024.270741	939.564673	778.9520231	1009.668319	954.4728857	931.0220433	923.4517948	907.2561844	680.3370752	810.1327456
12.67_410.2344m/z	410.2344074	12.6693	neg	Piriprost	45628	Unclassified	Unclassified	Unclassified			37.4	0	M-H	C25H33NO4	1.76362104	24934.37185	19863.70109	23653.84977	34263.56987	26977.538	26245.3186	21806.11233	5081.950193	7030.156806	16429.80501	25623.40774	14972.15045	38085.26994	37481.7374	26285.84996	31630.90185	24589.92434	34529.12156	31988.66877
12.93_284.2940m/z	284.2940297	12.92566667	pos	"3Z,13Z-octadecadien-1-ol"	LMFA05000047	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			37.4	0	M+NH4	C18H34O	-2.860242598	6823.449741	5028.971874	6286.370713	8163.864271	7017.904059	6862.897025	6813.359574	7164.065955	7748.427696	6844.949179	7479.983605	5237.546536	5267.437996	6524.198779	6620.794737	7067.71237	6748.457477	7126.375014	7079.258347
12.98_863.1643m/z	863.1643497	12.98335	neg	Kaempferol 3-p-coumarate	50408	Lipids and lipid-like molecules	Polyketides	Flavonoids			37.4	0	2M-H	C24H16O8	2.998491255	5536.886547	3555.554095	4174.193416	5437.801239	3102.824241	2965.900171	4469.907266	2626.579107	2003.007055	3308.095778	2928.270307	5538.65393	3857.135186	4043.324268	5004.984016	5100.66774	4214.265405	3718.045991	5692.728362
13.09_935.1272m/z	935.1271652	13.0854	neg	Cromoglicic acid	HMDB0015138	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans		C06928	37.4	0	2M-H	C23H16O11	-4.359476089	36894.7004	32274.65749	31433.63802	34143.43559	27581.22946	30874.76951	29266.3217	30402.80923	28723.45735	29946.46017	30095.47613	29390.74358	36505.55646	33808.99446	35961.72073	36572.98012	35190.2076	36327.74269	34207.93562
13.21_405.1732m/z	405.1731796	13.21306667	neg	Gamma-glutamyl-Glycine	86041	Unclassified	Unclassified	Unclassified			37.4	0	2M-H	C7H13N3O4	-1.860824075	1617.13043	1592.522668	1415.767242	658.3871238	4512.321248	3335.363908	720.5231801	1100.206427	1966.24072	2034.748612	1307.114296	1631.65628	4849.124362	4117.080869	585.4097238	623.11367	617.5348508	941.5570888	4094.854435
13.33_284.2940m/z	284.293996	13.33001667	pos	9-octadecenal	75373	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*		37.4	0	M+NH4	C18H34O	-2.986538111	4101.590532	2302.033165	2965.813324	6643.918987	5767.50398	3107.745613	4421.626124	5122.276075	4780.385382	4094.131483	3472.591863	2644.132245	2977.414823	4158.581601	4188.176566	4429.380966	6698.685904	4581.987748	3250.087798
15.50_281.0502m/z	281.0501988	15.5042	pos	"2-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)propanedioic acid"	HMDB0127483	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37.4	1.25	M+H	C9H12O10	-0.443630153	2078.018308	2022.981853	2340.247892	2679.431142	2548.793289	2350.523374	2338.347768	2483.51857	2493.879835	2413.070878	2456.979781	2226.124766	2603.536443	2010.109039	2757.660288	2305.878849	2298.611233	2242.075922	2453.023052
15.76_185.0804m/z	185.0803956	15.75651667	pos	4-Formyl-3-(formylmethyl)-4-hexenoic acid	LMFA01030984	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.4	0	M+H	C9H12O4	-2.388429446	3101.389693	2669.490439	1927.313447	3070.358524	3080.074115	2749.780261	2172.218802	2966.098955	1971.143552	2599.152905	3846.837634	2735.977038	2695.482658	2826.596114	2535.271754	3054.018317	2775.343462	3206.582722	2446.800219
2.05_419.0467m/z	419.0466517	2.054766667	neg	6-Hydroxymethyletoricoxib	85329	Organoheterocyclic compounds	Pyridines and derivatives	Bipyridines and oligopyridines			37.4	0	M+FA-H	C18H15ClN2O3S	-1.984282564	17456.73666	16791.4768	16727.34282	17371.79105	16116.12634	16356.83058	16802.96523	13660.77962	12325.03943	15791.80128	16713.88265	15700.59377	17627.22867	16755.75068	16950.28101	16176.65035	18829.79411	18458.84463	19527.54235
2.31_174.1276m/z	174.1276191	2.3126	pos	"2,6-Dimethylnaphthalene"	69971	Unclassified	Unclassified	Unclassified			37.4	0	M+NH4	C12H12	-0.684597612	1904.838832	1512.373395	1659.794333	1530.930132	1555.81951	1702.002526	1748.655446	1665.741578	1657.326536	1765.508761	1757.609502	1571.461832	1560.465052	1639.312969	1614.041809	1515.64901	1625.894022	1703.462946	1536.262033
2.31_241.0268m/z	241.026775	2.3126	pos	"2,2',3-Trihydroxybiphenyl"	65999	Unclassified	Unclassified	Unclassified			37.4	0	M+K	C12H10O3	3.081774113	2477.138317	2231.70468	2825.119067	1031.448993	4210.898278	1813.902498	1292.331658	7398.83922	5694.498112	1804.338625	1395.786338	2204.702901	2210.752938	2848.516401	2560.934704	2504.398632	3015.916298	2285.292659	1945.234885
3.28_174.1276m/z	174.1275978	3.276583333	pos	"1,2-Dimethylnaphthalene"	69970	Unclassified	Unclassified	Unclassified			37.4	0	M+NH4	C12H12	-0.820898271	481.7643659	509.7412237	667.2049428	540.242904	598.986066	610.9971894	634.4740405	585.8289128	632.8283163	503.2106427	663.2623123	480.4265341	602.8210469	656.2993683	638.1675685	823.4627598	511.1444076	618.9744894	594.0704427
3.53_341.0624m/z	341.0624081	3.534466667	neg	o-Toluenesulfamide	3056	Unclassified	Unclassified	Unclassified			37.4	0	2M-H	C7H9NO2S	-3.258138018	2478.456564	2106.880607	2078.291724	2118.500174	2117.739972	2400.030759	2298.331069	1968.840956	2011.083344	2316.730301	2472.414992	1873.135585	2506.648717	2618.015611	2162.115859	2418.991709	2243.211927	2681.549754	2456.267413
3.53_597.9726m/z	597.9726297	3.534466667	neg	N-desethylamiodarone	HMDB0060528	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			37.4	0	M-H2O-H	C23H25I2NO3	-3.11001648	1832.183081	2115.040004	2143.051682	2935.641231	2525.394246	1828.675683	2324.977321	1537.703166	2101.089119	2484.086154	2827.36453	2218.170701	2002.647607	2491.647953	1736.451568	2211.294145	2596.100557	2194.66132	2009.188408
3.72_189.0910m/z	189.0910338	3.72035	pos	(1E)-5-hydroxy-1-(4-methoxyphenyl)pent-1-en-3-one	HMDB0132977	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		37.4	0	M+H-H2O	C12H14O3	0.134507311	1923.286207	1452.717579	1483.835518	1367.022315	1327.765495	1705.486098	1375.324834	1415.864305	1557.210261	1505.95627	1458.03504	1610.000241	1435.513612	1380.28563	1762.516125	1706.260461	1336.634455	1583.809255	1208.76362
3.72_233.1026m/z	233.1025806	3.721766667	neg	NONIC ACID	44183	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.4	0	M+FA-H	C9H16O4	-2.558660759	193.3338808	216.0331933	229.8939762	130.6762306	207.0824952	158.332666	109.7585404	830.493256	404.8229179	64.03150831	79.18385541	146.8482141	123.589606	154.6402513	67.34213681	111.019204	124.7967869	146.1427132	104.0637107
3.76_376.0616m/z	376.061577	3.764833333	neg	Piroxicam	HMDB0014694	Organoheterocyclic compounds	Benzothiazines	Unclassified		C01608	37.4	0	M+FA-H	C15H13N3O4S	2.106079897	1971.056899	1802.341406	1847.530049	2051.905262	1502.09727	4464.132833	873.6453559	2634.792244	3520.717579	2113.576928	1851.361051	1580.240345	1392.889135	845.7701659	1013.064812	1365.706074	848.18747	1005.058539	826.8195081
3.79_398.0622m/z	398.0621709	3.786533333	neg	Bendroflumethiazide	1260	Organoheterocyclic compounds	Thiadiazines	Benzothiadiazines		C07758	37.4	0	M-H2O-H	C17H18F3N3O2S2	1.818680996	4790.555977	4985.803883	4708.005207	5903.534451	4749.718317	5449.442421	3315.510001	4897.559344	4785.978766	4750.268214	5784.575579	3761.279803	4367.758331	4446.957054	6056.131845	6052.420739	5497.758031	6359.780338	4100.204561
3.81_275.0320m/z	275.0319839	3.807833333	neg	Wasalexin A	HMDB0034765	Organoheterocyclic compounds	Indoles and derivatives	Unclassified			37.4	2.32	M-H2O-H	C13H14N2O2S2	0.528219867	1244.176129	1429.387565	1298.42946	644.4355004	2997.293313	1456.965688	2463.452043	736.5310102	908.9946603	3749.693996	1091.159559	501.7886444	1747.819145	1900.232822	1231.105487	1080.391242	1004.03951	702.4196533	1137.640665
3.83_102.0553m/z	102.0553484	3.82585	pos	L-Allothreonine	HMDB0004041	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C05519	37.4	0	M+H-H2O	C4H9NO3	3.304730785	795.0615154	851.5366285	843.3457394	887.4365482	870.1954097	869.2741662	915.9199134	828.1826739	737.5985903	908.4244684	949.2900493	1101.135324	829.9227803	855.6608738	871.1225043	999.7784215	717.8526001	873.0952193	796.729893
3.96_243.0483m/z	243.0482559	3.9553	neg	4-Methyldibenzothiophene	HMDB0040164	Organoheterocyclic compounds	Benzothiophenes	Dibenzothiophenes			37.4	0.61	M+FA-H	C13H10S	-1.354598706	2151.456017	1977.027791	2254.472438	1101.533548	5840.079318	1427.449531	1704.15201	2446.798496	1974.591506	1380.372351	1822.705225	3183.633862	1987.222672	1920.248779	1526.439439	2553.793398	1377.283249	2130.3453	2370.053002
4.26_478.2673m/z	478.2672507	4.26365	pos	PC(O-12:0/O-1:0)[U]	40187	Unclassified	Unclassified	Unclassified			37.4	0	M+K	C21H46NO6P	-4.967298455	1902.301578	1903.922187	1164.31559	1768.95362	3375.277421	1661.06439	1970.062981	1463.882472	376.02024	2999.390813	1818.10799	1190.82984	3341.3374	3325.700817	2556.768203	2333.041651	1951.304335	2455.578662	2637.574964
4.31_227.1639m/z	227.1638947	4.306116667	pos	"(±)-1,4-Nonanediol diacetate"	HMDB0037184	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		37.4	0	M+H-H2O	C13H24O4	-1.13159755	2477.997331	2121.372266	2376.129437	2301.297758	2253.171883	2435.903674	2254.107041	2469.771567	2374.375249	2241.579349	2737.509962	2945.301667	2530.903303	2357.950629	2783.652936	2682.69301	2290.097804	2066.561976	2171.110675
4.47_303.1407m/z	303.1407084	4.470883333	pos	Arabinoside	87702	Unclassified	Unclassified	Unclassified			37.4	0	M+NH4	C10H15N5O5	-1.528274189	918.7516076	870.879865	1115.828639	934.5742761	1091.171672	586.3459452	1261.704221	2254.618484	232.46527	823.5462151	590.1559697	1425.373287	784.9252144	1235.609502	609.0889008	1426.240944	1202.179614	965.131426	1680.610444
4.61_351.0696m/z	351.0695885	4.6053	neg	(-)-Epigallocatechin	HMDB0038361	Phenylpropanoids and polyketides	Flavonoids	Flavans	***	C12136	37.4	0	M+FA-H	C15H14O7	-8.387449929	6264.984739	6142.590979	6348.972313	21060.24653	0.000297236	64.64776392	9108.751002	0.000297236	2387.293621	0.000297236	13971.14282	12043.218	0.000297236	0.000297236	8383.018939	12193.02995	13986.25196	13063.78882	0.000297236
4.65_745.2943m/z	745.2942752	4.647516667	neg	"3-(3,4-dimethoxyphenyl)-N-[2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)ethyl]prop-2-enimidic acid"	HMDB0135474	Benzenoids	Benzene and substituted derivatives	Methoxybenzenes			37.4	2.63	2M-H	C20H23NO6	-4.720945938	4356.634729	4214.729476	4634.591152	4003.958268	5592.166746	5639.187386	7073.423299	4586.852249	3280.088525	6416.664304	6846.740059	2700.50574	4999.13963	3900.320132	3583.834869	3813.613304	3872.683298	3723.707349	4466.321732
4.80_203.1275m/z	203.1275325	4.799383333	pos	Dimethyl suberate	71908	Unclassified	Unclassified	Unclassified			37.4	0	M+H	C10H18O4	-1.251844657	1321.346338	1175.687024	1162.447427	1110.141663	1169.830826	1272.604086	1196.56772	1345.712628	1184.065422	989.3648652	1222.844265	1263.400844	1016.143193	1016.352126	1114.195678	899.8962121	995.2877364	1014.029349	902.3230382
4.96_286.1102m/z	286.1102308	4.9623	pos	Probenecid	2087	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides		C07372	37.4	0.961	M+H	C13H19NO4S	-1.840590871	986.4760836	1005.682869	982.3486176	822.7315255	905.7631415	1059.483524	1328.228556	581.4247189	1130.0272	982.3582198	1053.689238	1077.435325	959.19816	967.927875	1164.42754	614.2135345	698.4215345	781.1977758	935.7875184
5.04_207.0950m/z	207.0950008	5.0424	pos	Pyrantel	2191	Unclassified	Unclassified	Unclassified			37.4	0	M+H	C11H14N2S	-0.218970477	1309.986763	1245.550811	1326.276317	1113.676056	1252.414433	1771.562651	1206.675534	1294.893439	1262.102452	1775.674183	1359.639204	938.1824445	1306.752875	1098.437598	1294.543821	1258.41819	1949.121869	1442.700187	1051.208864
5.08_424.1913m/z	424.191287	5.081633333	neg	"Thaumatin b, recombinant"	88507	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides			37.4	0	M+FA-H	C19H29N3O3S	0.320069521	627.0194621	925.8527715	671.8657962	674.7785854	488.447313	616.4133314	1347.880699	0.000297236	0.000297236	734.5955196	793.0128577	0.000297236	582.8036346	516.9985962	2351.019858	942.4485997	1086.938371	1881.897219	827.5163144
5.12_497.1828m/z	497.1827787	5.1249	neg	3'-Demethylstaurosporine	66631	Unclassified	Unclassified	Unclassified			37.4	0	M+FA-H	C27H24N4O3	-0.585705528	1292.63528	1379.339243	1314.150475	2099.965305	419.5131802	939.5813373	1098.723735	197.9486044	251.8980099	1124.593858	2781.42432	855.8369131	604.0388656	1819.674486	2204.09466	2170.3484	2326.353341	1403.398351	1040.31181
5.38_182.1537m/z	182.1537437	5.379533333	pos	N-Ethyl trans-2-cis-6-nonadienamide	HMDB0032273	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	**	C06551	37.4	0	M+H	C11H19NO	-1.087449447	399.128783	437.4512907	388.4301468	397.2186236	470.8925459	256.6962429	428.8531636	652.8317189	376.508418	654.9275834	360.196611	410.798162	418.7756226	301.535047	465.5305218	297.0912934	427.9616605	326.1038426	361.4042792
5.53_407.2074m/z	407.2073997	5.529916667	neg	Cinnzeylanine	HMDB0036011	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		37.4	0	M-H2O-H	C22H34O8	-0.298417539	805.2924307	722.3713549	1076.110655	473.5224701	266.0797476	699.9904204	981.723533	454.3462602	90.17295798	699.5126141	791.8309857	127.2072801	806.0965785	1090.424984	750.0344689	1498.017922	1279.986656	974.1971176	916.3169568
6.18_255.2313m/z	255.2312605	6.180133333	pos	(E)-11-Hexadecenoic acid	HMDB0037647	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.4	0	M+H	C16H30O2	-2.345014523	2924.227562	2851.616351	2513.729728	2871.547834	2939.414804	3327.611183	2917.958127	2615.738691	2143.670479	2893.487285	2875.606322	2635.57531	2810.102955	2731.218298	2859.118588	2762.823365	2934.099917	2601.140285	2962.306789
6.55_566.2770m/z	566.2770327	6.550633333	neg	"8',10'-Dihydroxydihydroergotamine"	2263	Unclassified	Unclassified	Unclassified			37.4	0	M-H2O-H	C33H39N5O5	-0.419543236	2652.240796	3095.755431	2804.560438	865.3740248	1224.209908	1828.187485	719.952157	346.6051543	1653.070771	1628.991041	801.777417	454.7319729	944.5455941	608.3888471	20312.2456	1027.01721	2255.266167	5276.84345	898.441115
6.73_221.0699m/z	221.0699475	6.726866667	pos	Halfordinol	68416	Unclassified	Unclassified	Unclassified			37.4	0	M+H-H2O	C14H10N2O2	-4.165813863	3230.652459	3816.081809	3546.857503	2497.553562	2070.557258	1912.860756	3079.578812	1930.794876	7489.637261	2348.813167	2003.819347	5270.746959	8565.942749	2321.896177	2265.533726	2290.10894	4292.611816	2550.684548	3214.792943
7.64_415.2635m/z	415.2635255	7.644766667	neg	Oleoyl 3-carbacyclic Phosphatidic Acid	44869	Unclassified	Unclassified	Unclassified			37.4	0	M-H	C22H41O5P	3.941790461	1019.312769	958.1762699	1084.528148	568.2701964	1220.236953	1293.742603	1820.670914	559.8260266	430.1926507	1247.016219	1115.048214	379.6050786	1055.874152	1381.198486	556.1925124	773.5556101	741.8409793	500.215953	764.4275638
7.78_461.2522m/z	461.2522411	7.783116667	neg	Retinyl beta-glucuronide	HMDB0010340	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		37.4	0.0146	M-H	C26H38O7	-4.837233799	5336.281225	5574.604552	4530.800173	2701.049653	3139.997155	222.3401237	3000.403482	824.8528742	7802.099139	1347.58351	3310.426044	5978.231924	2257.848147	5012.757776	22662.21941	2460.665613	6085.617971	10299.03967	3135.878357
7.99_268.1539m/z	268.1538827	7.9898	pos	Ubiquinone-1	HMDB0002012	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	**	C00399	37.4	1.04	M+NH4	C14H18O4	-1.80668676	978.4038366	790.0861865	894.6051788	1169.670653	1022.386354	638.783307	1436.500266	297.281909	370.8595354	1299.97044	968.7470929	656.9603651	1058.326113	1002.942454	924.6176498	1316.811049	1356.201652	1215.629506	1025.824121
8.99_214.2526m/z	214.2526127	8.98695	pos	1-Tetradecene	LMFA11000329	Hydrocarbons	Unsaturated hydrocarbons	Unsaturated aliphatic hydrocarbons			37.4	1.33	M+NH4	C14H28	-1.598730815	9307.603557	9300.250793	9523.659346	11838.99069	11909.74489	10110.68429	13236.12581	10689.07121	12036.82445	12059.91489	10945.7769	10589.87867	9273.977333	9934.705651	12468.20601	10339.63462	10128.90537	12409.66144	10559.46168
9.11_295.1817m/z	295.1817184	9.111633333	neg	2-Hydroxydesmethyltrimipramine	2966	Unclassified	Unclassified	Unclassified			37.4	0	M-H	C19H24N2O	0.443625237	4818.487649	5882.701814	5134.072705	3774.847418	5530.564551	3787.829127	5796.843506	6153.370511	7206.307448	6140.894259	6394.896708	3645.918696	3895.057328	5769.521252	6136.557215	5525.736231	3654.921992	3795.280085	4276.251042
9.11_419.1219m/z	419.1219206	9.111633333	neg	5-aminosalicyluric acid	1147	Unclassified	Unclassified	Unclassified			37.4	0	2M-H	C9H10N2O4	2.578800079	1761.059413	2327.662118	1659.475044	1491.641905	2052.456868	1393.013914	2077.589993	2485.951966	2692.606862	2387.69405	2180.982283	1547.402153	940.9823498	1907.294694	2401.217034	1957.62166	1401.652209	1685.084465	1700.223265
9.62_257.0485m/z	257.0484522	9.624866667	neg	[4-(3-oxopentyl)phenyl]oxidanesulfonic acid	HMDB0133002	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			37.4	0	M-H	C11H14O5S	-1.805362631	747.5904135	727.7259027	838.784811	1237.922607	1195.594306	522.0374558	1324.047144	1174.978452	1684.557744	1361.064141	1342.83113	1385.633871	991.8157701	1448.206391	1604.867911	1207.741949	812.9333242	899.0488089	1536.086314
9.64_241.1806m/z	241.1805589	9.644516667	neg	2-tridecenal	LMFA06000075	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*		37.4	0	M+FA-H	C13H24O	-1.831668607	1096.174527	1044.59246	1063.395961	1060.007918	1273.877993	1007.680679	1026.339471	1063.808121	2011.869138	934.3090105	1148.770389	1286.027073	1028.59389	936.4934576	1363.934267	1220.336452	1078.312256	894.0228646	903.7466919
9.71_271.2263m/z	271.2263498	9.708266667	pos	3-Oxohexadecanoic acid	HMDB0010733	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.4	0	M+H	C16H30O3	-1.559808094	2403.742733	2067.920698	2297.910331	2369.908891	2643.695279	2293.801802	2332.890763	2178.538569	1933.932556	2103.002922	2287.549026	2094.53369	2105.233882	2065.115039	2513.525451	2261.8854	2288.604988	2483.566097	2439.127982
0.07_162.9524m/z	162.9524494	0.0736	neg	Succimer	66695	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates		C07598	37.3	0	M-H2O-H	C4H6O4S2	-2.528469738	560.7174082	378.6655243	503.8343983	493.5425751	418.4402734	378.7862562	426.6244913	478.7095826	512.4111429	564.9404851	504.031909	465.9223455	705.4859956	511.3417138	458.7200776	505.7817303	521.2599309	383.4472401	701.0880786
0.18_173.1322m/z	173.1322178	0.176983333	pos	xi-3-(4-Isopropylphenyl)-2-methylpropanal	92581	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.3	0	M+H-H2O	C13H18O	-1.362734249	4215.111191	3975.584156	5000.297829	4383.245875	4387.642058	5203.271372	4294.825805	4691.309254	4352.620006	4767.670511	4786.912017	3695.519656	4364.647166	3787.699461	4278.474178	4009.588245	4181.351349	5515.329411	4636.259773
0.48_193.1222m/z	193.1221969	0.478916667	pos	2-Phenylethyl butanoate	90374	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.3	0	M+H	C12H16O2	-0.568760162	2244.203679	2354.639229	2175.974075	2193.432413	2025.183906	2283.515069	2511.513618	2546.945932	2175.616655	2312.534864	2130.51496	1917.85045	2098.387063	1820.939664	2200.327383	2137.722537	1871.165738	2165.874432	2317.862327
0.50_326.0191m/z	326.0191245	0.499683333	neg	Azinphos-ethyl	72432	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C12H16N3O3PS2	-0.302482236	83473.20652	85795.42723	82214.77356	80611.75576	83409.64576	75072.58426	82887.00508	81116.45668	80757.75457	87917.04888	81377.03847	82554.7594	84327.75683	83869.38688	83937.33815	84074.01512	77668.00621	81749.962	77932.2592
0.56_184.9855m/z	184.9855323	0.562316667	pos	Diallyl disulfide	66928	Organosulfur compounds	Allyl sulfur compounds	Unclassified		C08369	37.3	0	M+K	C6H10S2	-0.124253196	69844.30268	91466.13572	77968.49634	82953.1956	64354.79259	71930.97544	75592.12863	75391.79131	73712.31075	73688.27927	73972.44588	71015.89106	93146.5455	81556.96916	70642.2876	66466.10947	82416.19486	89314.09305	65484.4238
0.59_436.3424m/z	436.3424097	0.589883333	pos	"(20S)-1α,20,25-trihydroxy-24-norvitamin D3/(20S)-1α,20,25-trihydroxy-24-norcholecalciferol"	42004	Unclassified	Unclassified	Unclassified			37.3	0	M+NH4	C26H42O4	0.655783257	3300.443735	5065.105902	4250.251696	5294.909534	3270.964397	4180.964877	4474.578516	1439.603408	4640.645582	6214.317355	6985.949152	508.688212	5960.959526	2501.766834	1858.459638	3616.20666	3392.259554	4208.83609	3020.691214
0.62_288.1566m/z	288.156592	0.623133333	neg	Lysyl-Proline	HMDB0028959	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.3	0	M+FA-H	C11H21N3O3	0.401371144	514.5516602	734.0660556	766.9037476	783.6084257	650.9360708	645.8942892	885.0515856	433.208436	582.2082195	492.034473	850.1543319	1022.900068	967.6623018	868.4336446	806.0264649	757.5342765	826.0954529	835.2035871	1213.590183
0.70_243.0383m/z	243.0382611	0.695333333	neg	Diethyl disulfide	HMDB0029572	Organosulfur compounds	Organic disulfides	Dialkyldisulfides			37.3	0	2M-H	C4H10S2	3.085185797	33745.73747	32976.1999	26302.34947	34610.35412	25696.55763	28814.53556	29160.32216	32428.42154	42296.71726	26916.87059	28153.21045	34140.74695	28079.51261	37157.73001	31490.96785	42617.03446	30115.52481	40486.23001	38659.61744
0.70_268.1022m/z	268.102219	0.695266667	pos	N-(1-Deoxy-1-fructosyl)serine	HMDB0037842	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.3	0	M+H	C9H17NO8	-1.77423312	21845.942	21265.07918	18180.42419	25193.85545	13153.59746	17370.04094	14815.52464	23176.49079	25984.21643	18782.81838	22200.40256	15046.91947	18396.82683	21208.77358	8513.149455	23094.3804	19431.34707	21898.6573	18147.72621
0.70_352.1215m/z	352.1215467	0.695333333	neg	Levobunolol sulfate	935	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C17H25NO6S	-2.346020242	122352.1965	87409.73105	83144.64499	68890.56014	112993.2597	107585.9042	90768.26805	155861.4076	104861.9613	91603.50502	80587.36074	46710.69371	96339.9063	91164.52171	89486.46021	88694.22784	82003.41548	103382.877	78393.51499
0.71_266.0866m/z	266.0865602	0.712233333	pos	Prolyl-Glutamate	85914	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.3	0	M+Na	C10H15N2O5-	-3.114210152	30189.74662	29451.79247	31056.26313	40951.61688	18711.65894	55400.02632	15584.45394	22879.12948	34316.49153	33948.28132	30381.22714	37570.34968	31643.59862	22294.49652	32542.17785	36153.69352	26536.25364	40673.31068	34518.99585
0.71_411.0739m/z	411.0739123	0.712816667	neg	Methyl (Z)-5-(1-propynyl)-2-thienylacrylate	90250	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.3	0	2M-H	C11H10O2S	2.153935152	32251.55326	28396.76689	30078.75808	34590.5022	38006.83673	21974.71376	27025.86444	60144.06921	40165.72552	28938.91706	36928.29284	50149.23674	19664.91161	29354.80302	20616.0423	31242.2899	21508.97148	29439.4964	26875.82549
0.73_247.0400m/z	247.0399841	0.7299	neg	"Phenanthrene-4,5-dicarboxylate"	72096	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C16H10O4	-0.314051995	37036.25987	37113.6696	37755.35126	40570.38283	40774.8603	39253.2042	34607.82972	39726.04758	54229.1949	41865.94226	39997.64642	43217.39987	34538.40801	35755.21916	30297.75001	40230.67076	33682.43289	47866.25615	35406.9045
0.75_269.0536m/z	269.053574	0.746966667	neg	Nifuradene	72990	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C8H8N4O4	3.643478723	8798.973468	7653.76925	10791.74789	10213.56258	10244.87682	5928.99819	7232.554333	7495.223116	9818.650533	16630.48779	8734.136102	10262.56361	8433.626503	8772.849319	7978.696851	8100.514855	9123.69671	8014.322399	10009.62005
0.75_664.1153m/z	664.1153302	0.7465	pos	NAD	HMDB0000902	"Nucleosides, nucleotides, and analogues"	(5'->5')-dinucleotides	Unclassified	***	C00003	37.3	0	M+H	C21H27N7O14P2	-1.610715148	35072.59294	38010.90574	40690.3623	45491.39051	35070.04155	48294.69228	47269.48485	3638.944916	12671.33554	56062.17388	37551.44886	8075.557544	35808.27401	27817.85066	40814.15748	35074.6192	28467.99193	33747.88575	30465.79137
0.76_244.0923m/z	244.0923283	0.764	pos	Gamma-glutamyl-Aspartate	86037	Unclassified	Unclassified	Unclassified			37.3	0	M+H-H2O	C9H15N3O6	-1.794943834	16488.59617	20267.31893	17889.22238	18643.81623	17348.44701	26469.00667	18830.42683	22630.43865	12940.8972	21875.57883	14170.75229	15371.4765	12200.10106	15205.31425	13843.35661	15699.98723	13877.27804	18724.53109	13901.82403
0.78_313.0146m/z	313.0146202	0.781033333	pos	4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate	HMDB0059981	Benzenoids	Benzene and substituted derivatives	Unclassified			37.3	0	M+K	C11H14O6S	1.287738222	93299.76922	95462.65159	95755.06056	122716.703	59621.6325	86235.13039	79684.44424	124214.5763	123527.5957	60279.06672	101939.8108	156033.9269	103900.0953	97900.89133	98561.43239	86360.3704	101895.1512	114021.3033	121220.5777
0.80_420.1973m/z	420.1973006	0.798133333	pos	Heliosupine	68242	Unclassified	Unclassified	Unclassified			37.3	0	M+Na	C20H31NO7	-4.965625006	12991.04932	13151.15029	11212.5444	16224.4624	10199.17379	10320.39854	18476.97649	8954.244754	6450.883693	13144.30302	14795.96972	10372.91623	12961.66363	17245.55121	11711.031	11963.97664	14741.24882	13599.16627	11272.36571
0.82_247.1396m/z	247.1396406	0.816033333	pos	Octopine	3377	Unclassified	Unclassified	Unclassified			37.3	0	M+H	C9H18N4O4	-1.791421405	13343.52583	13185.78951	12281.65982	15357.28963	9957.716214	16385.64488	10600.26082	13105.31457	10691.37225	10079.81229	7695.036045	13735.91865	12677.54163	11110.64043	15759.10976	8627.038726	12852.04534	14632.41263	18989.54357
0.84_216.0305m/z	216.030526	0.837816667	neg	"3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid"	69053	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C11H9NO5	1.254084787	38365.33615	42087.03965	41258.13979	44400.96182	41573.15571	41563.22357	42016.03359	34393.31333	29701.63822	41855.20344	47041.85347	34723.37019	42540.63238	41216.41077	45140.00868	44603.74114	43670.78311	45942.94718	44622.20014
0.85_183.1377m/z	183.1377143	0.850933333	pos	cis-3-Hexenyl tiglate	HMDB0038279	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.3	0	M+H	C11H18O2	-1.328478401	2126.832778	2418.473383	1982.831001	1969.977678	1892.58134	2067.756871	1699.576462	2047.512445	2199.014475	2480.061641	1941.591416	2381.009751	2376.910636	2387.512482	2274.24961	2387.798546	1502.300617	2044.728137	2042.677292
0.92_129.0372m/z	129.0372356	0.919466667	neg	Methyl 3-(methylthio)butanoate	88434	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.3	0	M-H2O-H	C6H12O2S	-4.889147833	11802.15157	12928.7377	12099.54684	11593.62022	13386.69196	16131.23966	9635.80142	10690.8289	12643.00414	15040.79581	10623.46419	15848.53281	12136.7023	11749.55261	11149.26339	10557.26934	11638.19602	10444.88422	12530.3952
0.94_547.0349m/z	547.0348923	0.937716667	neg	UDP-4-dehydro-6-deoxy-D-glucose	62919	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine nucleotide sugars	**	C04089	37.3	0	M-H	C15H22N2O16P2	-4.173364188	4232.456287	6154.834903	3915.631783	4085.538423	5143.821599	4857.446654	6626.518485	3257.724012	4501.661726	6629.019281	4516.624736	4414.448073	4717.684071	4664.067037	4917.391542	2811.708653	4357.714006	2971.117675	6448.452413
1.02_240.0735m/z	240.0734509	1.022333333	neg	Glucosaminic acid	3334	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C6H13NO6	4.925723814	1080.146321	1261.531467	1318.62439	3048.574376	1052.81024	1070.352034	1977.023054	916.8927832	3412.67174	717.9288998	2314.660049	358.5533842	1742.620364	1663.640265	414.1775899	414.3550277	527.7001455	791.0472362	507.2295595
1.06_339.0750m/z	339.0749887	1.063433333	neg	"N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole"	HMDB0003882	"Nucleosides, nucleotides, and analogues"	Benzimidazole ribonucleosides and ribonucleotides	Unclassified	***	C04778	37.3	0	M-H2O-H	C14H19N2O7P	-0.440642274	10730.80768	10257.49767	5980.083544	6714.889909	7590.875351	10735.37286	8849.054322	7467.996283	8503.487008	8108.904401	4148.430471	12468.08908	5634.990373	8063.848687	9360.783685	13208.04683	6939.104982	11835.91214	7356.39142
1.08_259.0389m/z	259.0389158	1.081483333	neg	7-Aminodesacetoxycephalosporanic acid	85209	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C8H10N2O3S	-2.33701466	1269.923844	1621.037254	2189.615689	2353.023698	1352.304382	2136.173156	1132.778194	2556.811711	1753.299784	2178.628148	2242.419453	2156.149893	1971.967477	1891.90194	2282.703631	1785.362643	1886.980609	2606.388816	3329.812152
1.08_320.1250m/z	320.124956	1.079266667	pos	4-Hydroxyoxprenolol	1684	Unclassified	Unclassified	Unclassified			37.3	0	M+K	C15H23NO4	-3.237663769	39843.16106	47281.54704	44633.25302	42552.3256	36883.34461	50796.91948	39155.00721	36664.40947	38215.91972	48298.0019	43625.65137	33204.49715	41533.25844	44155.41022	35565.6969	37282.72504	49333.24602	46858.87478	54096.8432
1.08_354.0818m/z	354.0817876	1.081483333	neg	"2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one"	72671	Unclassified	Unclassified	Unclassified			37.3	0	M-H	C9H18N5O8P	-0.662170037	21439.24186	23377.0337	21438.69619	19028.92411	22601.64358	22144.09111	17615.58806	20487.25891	18994.97567	22302.88848	21464.97818	20274.09839	21844.28935	18220.71414	27071.51302	25882.57752	19909.91172	27018.00258	27718.79916
1.12_231.1346m/z	231.1345558	1.118516667	neg	3-[(3-Methylbutyl)nitrosoamino]-2-butanone	89363	Organic nitrogen compounds	Organonitrogen compounds	Organic nitroso compounds			37.3	0	M+FA-H	C9H18N2O2	-2.551458131	904.5144731	756.6651561	782.6894653	427.743028	1439.650147	615.1306911	1294.83793	228.9075799	192.9862819	1423.252683	753.7021565	250.7764954	1206.006679	1471.974623	1342.081766	1205.032645	1373.829263	587.9647974	1296.578
1.14_252.0875m/z	252.0874925	1.13945	neg	Phenylacetylglycine methyl ester	5786	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C11H13NO3	-1.224845521	1000.549013	961.7379433	1149.376296	1818.279107	1041.067631	1086.012739	734.3195434	962.9418361	810.6964443	867.5901149	1158.227374	1041.227174	1040.785105	951.311628	1249.495998	1558.287018	1227.969917	1699.146422	1767.484233
1.14_252.9904m/z	252.9903749	1.13905	pos	"Dibenzo[1,4]dioxin-2,3-dione"	66068	Unclassified	Unclassified	Unclassified			37.3	0	M+K	C12H6O4	2.841613791	40527.21986	37415.55297	36918.35352	48080.83669	29999.73478	43324.60868	32224.94634	41690.6446	46599.14057	39911.50386	38809.90603	39496.6545	26789.36501	35589.01096	33840.5361	34647.32208	37559.08581	45694.62033	43052.10095
1.18_644.2703m/z	644.2702842	1.1797	neg	OXONITINE	43770	Unclassified	Unclassified	Unclassified			37.3	0	M-H	C33H43NO12	-1.495844347	8813.85346	6562.920313	7355.273508	7254.516675	7366.8545	7886.512194	8968.490464	5028.997469	4517.853328	6998.728632	8435.232399	6878.26225	8847.58238	7351.487637	10157.50995	10353.97847	9614.580209	10872.45672	14384.18961
1.24_213.0009m/z	213.0008509	1.2412	neg	Chrycolide	90481	Organoheterocyclic compounds	Benzofurans	Benzofuranones			37.3	0	M-H2O-H	C12H8O3S	-3.116337869	268.1496953	248.9563374	287.7605476	109.7799005	458.0265415	199.0519807	326.1977362	173.1702415	107.1239575	518.7100555	211.7818346	160.3241994	385.9599606	367.6348439	405.7639614	562.103054	386.3560219	185.9040908	286.9433329
1.28_357.1051m/z	357.1050503	1.278416667	neg	Vicianose	65623	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C11H20O10	3.846615166	17986.71212	17184.34529	18712.8533	19586.84408	17481.76858	25415.47313	23234.10684	12145.84629	14453.94789	22114.75809	18101.30431	8908.045696	18607.87	15600.95143	21248.20042	17504.56746	20581.15658	18140.18007	22046.03322
1.36_203.0488m/z	203.0488022	1.356866667	neg	Butoxycarboxim	72434	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C7H14N2O4S	-3.533056228	662.3004021	647.4753171	620.1936102	322.0859973	437.0239131	454.6772874	395.9795302	1425.3482	1505.572598	293.9450419	328.5095788	1203.436605	680.7981835	628.2693815	426.3656834	388.4355092	589.0749338	300.5046039	533.5848299
1.36_456.9905m/z	456.9904781	1.356866667	neg	DIMETHOATE	44564	Unclassified	Unclassified	Unclassified			37.3	0	2M-H	C5H12NO3PS2	-3.251673763	1847.745829	1827.705389	1691.323769	2979.341914	1422.23783	2901.78713	2855.540261	627.5501812	377.400646	3392.846837	2314.945182	1079.403957	1925.842767	1638.138536	1991.774839	2300.03557	2064.84345	2845.610571	1958.505716
1.40_373.0664m/z	373.0663832	1.3988	neg	"Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(2-nitrophenyl)-5-oxo-, methyl ester"	1539	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C16H12N2O6	-4.132483809	364.2635033	560.1813887	480.5797144	619.0721567	724.594613	618.7516883	729.9453328	313.7273084	271.808319	556.8893663	452.7673848	480.6204918	598.730665	483.9318976	609.7878978	519.8038051	552.5077595	559.0613207	494.5927639
1.44_161.0807m/z	161.0807399	1.438566667	pos	"3,3-Dimethylglutaric acid"	HMDB0002441	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.3	0	M+H	C7H12O4	-0.59591331	523.9933691	534.5530214	406.4877129	562.0289733	512.5334655	643.7155449	566.4363499	676.6486282	649.0369969	667.0826688	610.2701792	690.820326	588.1192982	519.2071267	546.3493166	596.2975743	738.7479946	480.2985863	620.1077947
1.53_129.0351m/z	129.0350705	1.526883333	neg	3-Hydroxy-1-indanone	66724	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C9H8O2	3.256689833	101.9363565	130.288062	95.76902525	92.99998573	115.5393155	148.7636679	85.88889525	255.8748133	209.3938231	184.513908	41.19169975	192.1165449	76.40026872	87.59104467	55.13548265	50.60406356	83.00068712	32.77482179	67.01876452
1.53_184.1120m/z	184.1119936	1.533166667	pos	"1-Phenyl-5-heptene-1,3-diyne"	66991	Unclassified	Unclassified	Unclassified			37.3	0	M+NH4	C13H10	-0.4952588	1660.914011	1257.511834	1381.11511	1175.677558	1294.672258	1319.597399	1242.279889	1451.978544	1650.427495	1266.773781	1615.997576	1288.014751	1278.792816	1138.34809	1346.940551	1495.502819	1079.336063	1543.374994	1095.903486
1.55_252.1594m/z	252.1594145	1.554083333	pos	Strigolactone ABC-rings	64132	Unclassified	Unclassified	Unclassified			37.3	0	M+NH4	C14H18O3	-0.023318587	1913.067869	1745.003559	1682.784599	2074.619941	2324.008842	2151.392799	2008.685308	1891.010566	2725.434017	2166.797955	1983.053505	1578.660217	1779.119693	1852.0032	1856.258222	1949.050472	1920.526267	2163.135502	2005.51444
1.89_335.0837m/z	335.0836805	1.886633333	neg	Flumioxazin	HMDB0034854	Organoheterocyclic compounds	Benzoxazines	Benzoxazinones		C11035	37.3	0	M-H2O-H	C19H15FN2O4	-0.179535266	2622.831522	2843.195725	2630.501835	2403.355085	2760.923362	2848.17349	2492.81688	3119.30795	3236.325333	2836.748832	2398.212376	3252.003834	2582.437886	2280.383664	2381.913915	2035.708924	2649.790269	2736.586454	2764.023682
1.94_174.1276m/z	174.1275855	1.94375	pos	diethyltoluamide	3982	Unclassified	Unclassified	Unclassified			37.3	0	M+H-H2O	C12H17NO	-0.734807155	661.9582007	587.9831668	652.2467039	839.933667	903.7786428	635.8889154	667.6041066	715.6211144	567.5326349	771.3199349	655.2285847	776.5138337	601.0201694	748.7903331	559.4105712	763.7001841	715.0360956	519.080973	718.6568555
10.28_289.1343m/z	289.1342764	10.27795	pos	Difenpiramide	71878	Unclassified	Unclassified	Unclassified			37.3	0	M+H	C19H16N2O	2.557279684	2148.712208	1803.366094	2730.966864	2223.376354	2721.586324	1675.67206	2313.529705	3697.009271	4971.574678	1555.643987	2039.480277	3946.524029	2945.535085	2370.809368	2372.38059	2574.97521	2561.332663	1769.593092	2552.028905
10.28_300.1224m/z	300.1223577	10.27795	pos	Pinacidil-N-Oxide	1942	Unclassified	Unclassified	Unclassified			37.3	0	M+K	C13H19N5O	0.916626269	1264.334662	921.635571	1253.866266	1853.926653	1843.130548	1401.537762	1269.969564	731.9303129	956.9773901	770.5862659	1451.003504	1231.601461	1595.705021	1837.308189	1408.476813	1659.095499	2163.880752	1537.591061	1938.737264
10.70_595.2890m/z	595.2890023	10.70088333	neg	OG-PA	LMGP20070021	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			37.3	1.14	M+FA-H	C26H47O10P	0.209189552	21593.71213	19096.83659	22675.71307	23012.27621	24484.12414	22502.15195	23314.67665	20901.59603	26061.19771	16019.49138	21372.80964	33992.82462	34537.64268	28273.29494	26199.38233	26206.37796	26636.13824	25858.71427	27898.11506
10.79_511.0015m/z	511.0014985	10.78516667	neg	[(1-oxo-1H-isochromen-3-yl)methoxy]sulfonic acid	HMDB0128627	Phenylpropanoids and polyketides	Isocoumarins and derivatives	Unclassified			37.3	0	2M-H	C10H8O6S	0.892497861	35678.78154	34358.36229	35832.27064	38504.52317	38498.39104	33077.26805	36832.32849	36712.61688	35033.05132	35510.88893	40640.29825	35659.5226	37929.80829	39340.94109	36724.05085	38941.61443	38721.67216	36055.40765	34947.75494
10.87_494.2418m/z	494.2418223	10.87058333	neg	DAMGO	68985	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C26H35N5O6	1.811031601	955.1420245	671.9592426	636.7865601	953.675992	1115.957455	718.8758507	762.9534191	1017.440342	822.0950295	382.2796785	708.6597551	894.6130828	1254.581115	1198.334989	1010.859012	1122.058195	1127.843249	652.7846976	876.7000674
10.91_583.3366m/z	583.3366413	10.9122	neg	Thioperamide	45306	Unclassified	Unclassified	Unclassified			37.3	0	2M-H	C15H24N4S	-0.715142043	4738.404829	3202.231531	5221.783409	4736.276476	5735.070662	5861.896768	4407.930629	3927.607351	4471.72107	4253.719855	3907.32043	4702.318557	4926.731256	5404.599879	4647.625968	5059.774157	6421.524682	4659.536775	4349.535637
10.91_610.3724m/z	610.3724114	10.9122	neg	PC(10:0/10:0)[U]	39124	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C28H56NO8P	-0.257930355	1982.874838	2250.530467	2291.114154	1868.482091	3122.415304	2802.739957	2650.834069	1836.344774	2420.478539	1910.104978	2290.981657	2945.977347	2754.660658	2535.773422	2176.687791	2039.222199	2417.628572	2086.9092	2272.853984
10.95_467.1582m/z	467.1582031	10.9545	neg	Nocardicin C	71625	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C23H26N4O8	2.016630578	484.1875539	494.4420996	685.8881683	291.368061	291.3216047	181.9965054	447.2997492	901.067431	0.000297236	172.9005468	455.762987	1631.356501	211.3777647	0.000297236	504.4525662	511.8309532	903.6592433	1382.157173	257.4221285
11.05_190.0495m/z	190.0494815	11.04536667	pos	2-Formaminobenzoylacetate	63560	Unclassified	Unclassified	Unclassified			37.3	0	M+H-H2O	C10H9NO4	-1.873890202	1757.81562	1650.355682	2006.389854	1938.253154	1926.690001	2187.981339	2157.281163	2006.245369	2094.611252	1980.084999	1981.138112	2052.697725	1490.577826	1828.684378	2149.950166	2184.210612	1378.842191	1962.805936	2052.202263
11.21_507.2916m/z	507.2915584	11.21088333	pos	Goshonoside F1	93212	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		37.3	0	M+Na	C26H44O8	-2.644404136	8874.716923	5224.476337	7744.44642	7714.689564	8477.289735	10593.54586	6242.213125	3124.035706	4521.810097	10859.66541	6238.691204	5547.495045	8216.151183	9091.74274	8401.409622	9595.002185	7776.323995	8595.474126	8165.751994
11.51_579.0829m/z	579.0828527	11.50813333	neg	4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate	HMDB0059975	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.3	0	2M-H	C11H14O7S	-3.307103012	3993.86246	2823.405626	3876.160204	3356.098296	3556.184914	4439.93829	3533.714892	3039.971483	3393.672596	2464.343002	3051.964326	3630.550101	3804.485075	3712.462917	3892.980487	4256.650312	4432.07608	4038.000479	3048.023018
11.70_644.3933m/z	644.3932679	11.69991667	neg	PS(14:1(9Z)/13:0)	77774	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			37.3	0	M-H2O-H	C33H62NO10P	-0.037419017	5297.847787	4993.960931	4997.123088	4674.981791	4141.051695	4233.36404	5797.69364	5228.204244	6554.345235	4181.383031	4926.539127	7129.657509	5006.809451	3998.992328	7298.547674	6425.196952	5942.488136	4711.430692	3667.33561
11.72_742.5389m/z	742.5388926	11.7209	neg	"PC(15:0/18:2(9Z,12Z))"	HMDB0007940	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C00157	37.3	0	M-H	C41H78NO8P	-0.451996329	227184.8962	215948.6173	212727.7119	226393.5004	229464.0559	227638.736	242222.8959	225800.9732	223828.7456	224699.9473	226015.9906	248330.2988	248147.7342	205119.2179	212272.5506	218408.5726	100640.8204	180512.6867	216388.9805
11.85_621.3049m/z	621.3049457	11.8477	neg	PHHdiA-PG	LMGP20060011	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			37.3	0	M-H2O-H	C29H53O13P	0.637805673	1104.745018	667.4304215	1204.239868	680.4013804	1387.452569	1118.123523	1426.287805	1.656996921	0.000297236	1080.488228	879.4606253	366.1567205	4501.787933	4594.301085	636.4312629	446.3042804	462.1337247	672.8115718	3840.697681
12.24_387.2527m/z	387.2527341	12.24263333	pos	12a-Hydroxy-3-oxocholadienic acid	HMDB0000385	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		37.3	0	M+H	C24H34O4	-0.652211132	7798.837528	4494.510616	6057.080443	5798.372004	6724.246159	5053.80674	6086.482286	6270.06588	6208.292113	7057.799164	5135.520502	3473.394523	3618.509745	5636.731104	5659.263284	3586.583101	5479.977019	7498.222085	4873.359281
12.35_543.1508m/z	543.1508221	12.35293333	neg	NIMUSTINE	44117	Unclassified	Unclassified	Unclassified			37.3	0	2M-H	C9H13ClN6O2	0.727324199	4774.291998	3603.960947	5308.052569	6520.413887	5106.808866	5675.728283	5761.477262	5486.843581	5458.950239	5047.84257	5950.961636	5261.328636	6562.259569	6230.828107	4749.875417	5433.31521	5695.974548	5776.835977	5528.093794
12.40_440.3170m/z	440.3170154	12.39566667	neg	Dihomo-gamma-linolenoyl dopamine	LMFA08020272	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			37.3	0	M-H	C28H43NO3	-0.005502945	689.3113848	416.4627796	441.0919418	1638.180799	711.4446539	768.3633165	270.2484024	341.3903164	298.6377066	429.7899853	917.4706762	1343.411309	387.2071376	816.984266	1009.071392	795.618839	611.9599964	884.3519919	979.0756367
12.67_347.2200m/z	347.2200344	12.6693	neg	"2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate"	70795	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C22H32F2O2	2.290354274	1557.506618	1173.943746	1961.90823	1123.041135	1886.540633	899.8721199	1052.689426	2221.823444	1707.098444	873.9964561	1449.339766	1697.649801	1324.504144	1184.887252	1265.972194	700.7099275	1422.315318	1370.155763	1166.35832
12.94_547.0205m/z	547.0205439	12.9408	neg	Ferulic acid 4-O-glucuronide	HMDB0041733	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37.3	0	2M-H	C10H10O7S	-2.968861853	13026.51281	13508.04183	12855.97697	14725.57583	14001.11431	13042.94787	13142.87745	12974.06798	14124.78073	15542.54339	15818.73073	12771.5159	12675.68359	12620.65419	13955.71283	14266.45399	13980.6965	15200.10001	14129.32968
13.11_367.0020m/z	367.0020063	13.10705	neg	4-(sulfooxy)butanoic acid	HMDB0130134	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.3	0	2M-H	C4H8O6S	2.621512761	7979.301379	7738.21911	7280.106212	7028.689997	9042.476054	7884.569795	9221.42028	9065.281461	7296.46511	7726.457687	8374.965694	8248.364544	7979.743344	7815.863239	7584.27007	7865.834633	7119.124815	7728.382789	8823.423477
15.53_190.1080m/z	190.1079983	15.52508333	pos	2 -(Butylamido)-4-hydroxybutanoic acid	69240	Unclassified	Unclassified	Unclassified			37.3	0	M+H	C8H15NO4	3.24623947	820.0732614	1134.898956	709.7840224	1842.092195	1074.303875	765.2448125	890.3527099	695.8074364	701.0562096	846.5150395	913.4125467	1182.677865	760.0031224	817.8519251	1428.999197	661.2331829	1055.340478	846.6125767	1169.002966
15.59_197.1154m/z	197.1154351	15.58515	pos	2-hydroxy pelargonic acid	LMFA01050024	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.3	0	M+Na	C9H18O3	3.560724852	12286.7437	11749.67759	12387.73997	13204.11004	13092.46662	12487.01396	14364.22849	13525.63328	10881.00053	12800.54659	13006.97665	11456.11942	12705.47593	13509.3831	12579.56641	13082.5162	13373.80431	13993.8614	11418.93064
15.74_195.1013m/z	195.1013213	15.73598333	pos	ORTHOTHYMOTINIC ACID	43837	Unclassified	Unclassified	Unclassified			37.3	0	M+H	C11H14O3	-1.285160703	1650.965798	2026.094203	1856.173828	1613.238156	1898.349586	1916.005921	1960.814644	1710.321489	2407.663017	2246.472968	2369.998493	1779.718362	1908.739599	1781.274175	1817.027539	1842.868315	2053.555909	2013.184702	1714.685607
2.05_249.0399n	497.0626937	2.054766667	neg	Pyridoxine 5'-phosphate	HMDB0001319	Organoheterocyclic compounds	Pyridines and derivatives	Pyridoxines	**	C00627	37.3	1.85	"M-H, 2M-H"	C8H12NO6P	-1.192327408	53121.65622	51706.09164	55090.21582	55188.27628	53957.3708	48380.13982	57607.86224	49554.75159	46621.15038	51379.14066	52274.41286	48807.00342	57015.01638	51776.96438	53088.84892	53115.85151	59863.76833	57072.90774	59337.56967
2.05_409.0910m/z	409.0910182	2.054766667	neg	Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)	LMPK12020108	Lipids and lipid-like molecules	Polyketides	Flavonoids			37.3	7.4	M-H2O-H	C22H20O9	-4.374682932	7026.917596	8144.285161	6067.049135	7828.182291	7630.097013	9574.993104	8075.64749	6405.128734	6175.465434	7119.496828	8755.801352	7281.792842	7792.232902	7966.764292	8397.125697	7309.906975	7980.699253	7414.007503	8409.429088
2.48_317.0501m/z	317.0501179	2.47935	neg	"3,4,5-trihydroxy-6-(2,4,6-trihydroxyphenoxy)oxane-2-carboxylic acid"	HMDB0125319	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			37.3	0	M-H	C12H14O10	-4.094573311	896.5388168	982.8385785	1181.898211	960.2689623	1045.408809	1353.106397	805.1883796	681.222825	658.1516632	1327.177189	686.689534	838.5898122	1021.44358	868.9283211	1689.371907	921.9839154	1603.421345	1305.897971	1355.179024
2.56_380.0784n	425.0766445	2.5627	neg	4-Methoxybenzyl O-(2-sulfoglucoside)	90180	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37.3	0	"M-H, M+FA-H"	C14H20O10S	1.670318044	9974.027039	7402.13094	8794.796099	5563.555538	9904.136782	9566.681637	16883.96441	14518.51739	17725.40631	11892.91881	10462.20212	3813.792088	9551.428935	8032.490246	5952.822089	5780.342186	6474.199301	3076.508094	4424.657464
3.03_202.0170m/z	202.017038	3.031216667	neg	N-Acetylcarbocysteine	1530	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C7H11NO5S	-4.13648861	439.7098546	457.0057441	562.4131041	713.4636259	414.0521334	598.5082848	127.334788	1286.646021	1237.332828	276.6155932	295.3796747	936.2421775	196.0748952	275.7353199	348.7597697	446.634549	244.6215079	700.7803143	550.8707009
3.35_496.2508m/z	496.2507661	3.353616667	pos	Ximelagatran	HMDB0015603	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.3	10.6	M+Na	C24H35N5O5	-4.804649495	29355.73984	28168.49932	25106.32297	21983.734	24523.35622	33042.12453	30036.86894	23525.41095	15713.70267	28544.05215	33487.52237	15635.19377	29346.14801	27920.65236	26505.6444	25107.73708	30738.22946	24593.94783	36198.97628
3.48_425.9867m/z	425.9866738	3.477533333	pos	2'-Deoxycytidine diphosphate (dCDP)	3514	Unclassified	Unclassified	Unclassified			37.3	0	M+K	C9H15N3O10P2	0.642850499	718.1410648	448.9353676	782.9586792	486.5758936	1060.166702	610.2232243	1031.980434	495.8762954	275.0251718	1142.559076	767.8620915	0.000297236	579.4393349	589.5701812	551.6664467	677.1517412	465.5407098	559.5727497	252.2857775
3.54_205.1927m/z	205.1926683	3.538083333	pos	6-Tridecene	97873	Hydrocarbons	Unsaturated hydrocarbons	Unsaturated aliphatic hydrocarbons			37.3	0	M+Na	C13H26	-0.017598477	2446.118456	3908.491162	3902.293573	3068.661097	3550.524713	2073.00248	2819.083824	2198.551961	1699.881666	3346.282889	3259.486111	3812.674028	3583.493427	2885.761426	1492.509439	4140.376825	1463.932309	2077.898458	3049.937282
3.60_371.1044m/z	371.1044289	3.597883333	neg	CAY10567	45225	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C21H14N2O2	2.141367551	679.2030543	778.4129304	692.5237293	952.7728157	860.0347268	1215.103229	1048.842703	460.0342552	589.7999776	611.0405155	976.3875636	436.7935328	403.5312566	611.5082812	737.1046933	730.8700623	620.025001	781.4508261	1056.597385
3.76_359.0549m/z	359.0548845	3.764833333	neg	Ritipenem acoxil hydrate	69946	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C13H18N2O9S	-1.522432625	886.5130125	983.6922973	957.8376621	863.6947767	1265.474814	1076.796284	709.5961876	1038.300361	908.5453584	976.6860901	855.0620385	971.5849872	1023.58215	1027.045531	1059.301697	952.3211151	1205.376015	845.6752543	994.7092545
3.78_374.1922m/z	374.192175	3.784616667	pos	dipivefrin	3987	Benzenoids	Phenol esters	Unclassified		C06963	37.3	0	M+Na	C19H29NO5	-4.609101607	16687.67196	18868.14946	17347.78083	20516.94943	15419.66073	8484.124845	23303.93373	6940.548233	13515.09406	9550.534792	22614.65962	27759.15511	22317.11453	21065.7731	17187.86677	18874.57396	19006.30055	23084.08385	24718.41725
3.97_678.2907m/z	678.29065	3.973566667	pos	Rifamycin W	LMPK05000008	Lipids and lipid-like molecules	Polyketides	Ansamycins and related polyketides		C12247	37.3	6.14	M+Na	C35H45NO11	3.308511286	17553.38614	18424.5222	17718.15561	14082.68803	22748.65683	21986.39719	9705.908777	23624.29478	20941.68294	15833.95771	12418.52808	23299.01247	18277.35675	19743.55037	8959.250066	13194.46072	11329.7293	13015.19597	23810.22602
4.12_757.3637m/z	757.3636695	4.119566667	neg	digitalin	LMST01120015	Lipids and lipid-like molecules	Sterol Lipids	Sterols		C08862	37.3	0	M+FA-H	C36H56O14	-2.161573062	1041.29644	1330.245641	888.0085602	790.8245561	590.2813896	2000.966328	1478.969601	1078.362964	717.720092	666.4087643	1025.43415	812.5426183	391.2218687	1689.109537	1158.850556	1270.512234	1209.441316	1429.949938	1480.985611
4.35_430.1230m/z	430.1229961	4.351383333	neg	SARAFLOXACIN	43557	Organoheterocyclic compounds	Quinolines and derivatives	Phenylquinolines			37.3	0	M+FA-H	C20H17F2N3O3	2.584460722	1003.312541	1157.666305	1162.437632	954.7804163	1298.426301	1706.895324	1100.209327	1460.128901	978.6518859	1098.378334	1193.907331	1367.137015	1105.907302	1007.734964	1034.818346	1157.997378	1347.00181	1158.7995	1110.519345
4.37_247.1107m/z	247.1106774	4.36835	pos	CAY10587	45468	Unclassified	Unclassified	Unclassified			37.3	0	M+H-H2O	C18H16O2	-4.029039484	217.5602847	339.1001595	248.3328285	365.6405226	376.2819749	447.1410874	341.5215789	290.9120385	337.4166703	282.5307333	268.2027727	107.2919564	296.6529136	340.4158794	167.281041	216.5290252	376.9531897	309.2001858	564.6878828
4.39_327.0752m/z	327.0751839	4.394533333	neg	Oryzalin	72638	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C12H18N4O6S	-4.855119674	1498.919494	1356.44717	1479.039836	1382.091961	1479.614775	1535.10479	1385.554428	1646.435641	1725.916691	1910.006748	1653.398942	1125.094788	1444.525963	1166.671982	1542.304098	2002.454596	1449.652902	1277.292741	1279.97805
4.58_290.0468m/z	290.0467667	4.583666667	neg	"1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione"	70902	Unclassified	Unclassified	Unclassified			37.3	0	M-H	C17H9NO4	3.041829066	655.5248678	453.7828728	562.6375065	478.8640675	364.1039243	311.505196	180.5959251	692.268653	789.3091434	368.1486168	288.2265375	850.6274763	411.5312632	358.7072582	278.8606945	415.140458	443.316937	611.5655291	537.0101379
4.65_307.0769m/z	307.0769463	4.647516667	neg	"1-Phenyl-2,4-pentadiyn-1-one"	HMDB0032945	Benzenoids	Benzene and substituted derivatives	Benzoyl derivatives			37.3	0	2M-H	C11H6O	1.600623433	200.8420156	139.2429417	183.4023351	179.1821771	161.1809555	188.0470038	51.94371397	1614.534798	347.6746181	142.7952332	62.0375784	136.7254196	158.5476496	169.781271	166.1248466	133.7889392	102.8426073	0.000297236	167.2261102
4.74_172.1692m/z	172.169239	4.738216667	pos	(R)-(+)-alpha-Terpineol	LMPR0102090028	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*	C09902	37.3	0	M+NH4	C10H18O	-2.281936775	912.4136485	602.9941287	655.2262535	671.2990321	591.9692415	712.3685463	782.6124355	698.5827018	746.863026	711.3623311	621.0212369	649.7783688	636.9369928	587.3135409	556.6481478	642.408539	620.3783981	706.0846901	603.3717494
4.91_241.0585m/z	241.0585254	4.91215	neg	"3,7-Dimethyluric acid"	58072	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	**	C16360	37.3	0	M+FA-H	C7H8N4O3	3.480714533	174.1651398	140.4243545	129.4079371	214.5081643	131.6727077	113.1889509	209.0073039	189.2992514	167.501702	166.2762889	111.5918538	268.1247606	194.9033699	300.7735346	197.4127923	260.8982482	159.5570664	200.9672249	302.0913776
5.19_314.1433m/z	314.1432649	5.189216667	neg	2-(4-Methyl-5-thiazolyl)ethyl octanoate	88447	Organoheterocyclic compounds	Azoles	Thiazoles			37.3	0	M+FA-H	C14H23NO2S	0.416252593	755.5934053	956.3835298	813.6562781	634.3698592	1811.604021	780.895704	1090.503933	87.19521526	163.3685968	897.1991214	740.5345641	190.3107087	967.8287401	516.0777684	689.2577026	752.4697164	449.6722972	763.8757549	514.8767823
5.37_349.0025m/z	349.0025055	5.369183333	neg	Apigenin 7-sulfate	48862	Phenylpropanoids and polyketides	Flavonoids	Flavones			37.3	0	M-H	C15H10O8S	0.410376791	703.3084483	885.6006979	576.6322432	299.1831739	1128.493825	2482.67059	364.8193469	295.079927	398.8270096	4222.915277	436.779596	290.7993088	259.1995975	341.2017328	563.0113398	335.5746283	412.6514176	328.8736638	335.6073564
5.63_397.1775m/z	397.1775246	5.6296	neg	Lochnericine	64314	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C21H24N2O3	1.786266071	1496.617713	1424.237805	1627.03193	1114.261388	900.1053612	1490.167475	1225.072419	993.8797693	1402.593272	1720.659433	1358.192668	1470.617221	2213.150318	1778.473573	1250.317794	1770.346635	2676.604256	943.1664063	1711.595078
6.24_476.2086m/z	476.2086269	6.243066667	neg	CYTOCHALASIN E	44249	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C28H33NO7	1.545963741	2321.88729	1694.06087	2383.757634	902.831267	1713.264875	3098.789909	1132.923568	1191.813408	493.6906636	3206.426148	1002.847119	798.1108083	5901.740522	2741.002761	2077.33994	1595.507003	2847.853068	1273.797383	2550.730208
6.27_365.2332m/z	365.2331724	6.272783333	neg	"14,15-Epoxy-5,8,11-eicosatrienoic acid"	HMDB0004264	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C14771	37.3	0	M+FA-H	C20H32O3	-0.547660388	435.4470271	469.7050342	603.8928529	529.0195497	224.0477724	559.4076025	509.7573997	736.7557478	0.000297236	414.5071642	593.4524385	579.9299911	245.1269682	123.9006487	575.0109846	570.1876678	485.6897548	1128.165928	201.5129678
6.33_229.0535m/z	229.0534742	6.3273	neg	(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone	88425	Organosulfur compounds	Thioethers	Aryl thioethers			37.3	0	M+FA-H	C9H12O2S	-2.875741759	218.6193082	263.6251343	205.1312342	0.000297236	646.740169	653.9943695	27.07264267	0.000297236	26.38797956	877.7494598	9.488099636	0.000297236	278.5864303	417.5119986	28.39818361	21.10308511	39.85647216	12.81510094	284.6216817
6.46_231.0055m/z	231.0055326	6.461933333	neg	Blue pigment	63889	Unclassified	Unclassified	Unclassified			37.3	0	M-H2O-H	C10H6N2O6	3.151101703	5878.560211	6421.461979	6440.267734	6254.821137	5819.881046	5841.187114	6574.932847	6176.340514	5613.531642	6317.222929	6277.480854	6637.765081	5770.603266	5990.501224	5188.477561	5883.63031	5656.779777	5730.283367	5690.269692
6.54_637.3207m/z	637.3206684	6.54035	neg	Debromoaplysiatoxin	66295	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C32H48O10	-3.852964091	911.6104854	1025.470437	1046.235596	918.4250348	202.1080048	390.9434535	144.64299	0.000297236	0.000297236	3409.186249	139.8234938	0.000297236	272.1367402	1481.410878	1872.678845	935.9803	1160.252647	2540.14934	383.6479163
6.64_682.1958m/z	682.1958104	6.640966667	neg	"Morphine 3,6-diglucuronide"	1360	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C29H35NO15	-4.805156948	1752.02114	1469.009146	1481.703228	140.2796823	829.0722031	748.6997403	163.3357404	487.7411232	3887.346562	970.0895728	467.4471074	994.5210812	590.403812	279.9196028	11516.15795	235.9212126	946.920295	2431.575309	454.9546105
6.72_195.0501m/z	195.0500616	6.7244	neg	Gulonic acid	344	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives	**	C00800	37.3	0	M-H	C6H12O7	-4.920377025	956.7058546	948.4216708	1038.252317	1103.025189	1117.973152	1071.102388	1141.675195	909.5982258	999.4510065	1162.186675	1093.08996	944.4159302	1305.307581	1265.550156	929.315886	1261.444142	1221.137917	1134.849354	996.0265778
7.96_475.2677m/z	475.2677091	7.9625	neg	"(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside"	90080	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		37.3	0	M-H2O-H	C27H42O8	-4.892153334	4871.452471	3660.376977	3835.602351	4427.911905	3551.307261	1126.5176	2246.688303	0.000297236	952.5442783	7456.198566	3600.695492	64.02038748	5388.66495	3766.1149	9501.40837	1986.224128	6325.542905	5853.037747	8771.183326
8.71_197.1534m/z	197.1533815	8.708066667	pos	Geranyl acetate	HMDB0035157	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*	C09861	37.3	0	M+H	C12H20O2	-1.146280087	6155.661943	6502.879993	6273.390125	6293.576325	6201.779481	6020.24638	6408.30286	6047.800359	7065.896104	6731.865344	6531.650541	6438.046288	6335.007761	6650.639818	6910.019104	6869.988992	5837.825493	6679.277052	6304.645179
8.74_296.1478m/z	296.1477708	8.7395	neg	Rotigotine	85553	Benzenoids	Tetralins	Unclassified			37.3	0	M-H2O-H	C19H25NOS	-0.233141596	1398.701705	1166.358126	1164.290202	661.8768343	1166.950812	898.2406287	913.5363606	1601.096461	1959.167702	547.5885054	1700.260799	1495.170587	1129.72655	873.745119	1007.385749	1021.491222	841.0970906	664.6165725	1055.890263
8.95_469.1819m/z	469.1818958	8.952616667	neg	"β-D-Glucopyranosiduronic acid, 2-(1H-indol-4-yloxy)-1-[[(1-methylethyl)amino]methyl]ethyl"	1945	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C20H28N2O8	-2.057888127	908.195092	942.5918978	773.5006952	739.9887688	909.4799661	991.3920017	598.2979551	1697.758045	651.3956399	1303.456148	798.3440273	830.5812918	2353.57471	1463.76224	1217.034582	936.9915793	1127.456329	586.8595409	922.6547623
9.11_393.1008m/z	393.1008483	9.111633333	neg	Diethylstilbestrol monosulfate	608	Unclassified	Unclassified	Unclassified			37.3	0	M+FA-H	C18H20O5S	-1.434333797	1039.539047	822.870596	957.9388542	736.7220263	933.5338366	389.2764683	945.1887188	978.3751455	1312.640267	1046.659887	1003.1919	676.5819784	595.3922235	1068.293703	1310.168022	981.3113323	457.4895048	564.1868576	649.211008
0.10_193.1221m/z	193.1220961	0.10495	pos	5-Isopropyl-2-methylphenol acetate	HMDB0035447	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.2	0	M+H	C12H16O2	-1.093521408	2370.757082	2423.94818	1916.205233	2219.425816	2138.617103	2125.525039	2386.303166	2312.553348	2239.046149	2648.479096	2339.422741	2187.075767	2063.346899	1963.309364	2344.162363	2392.582499	2069.988489	2076.495921	2377.166111
0.64_360.9970m/z	360.9970069	0.643516667	pos	"3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic acid"	HMDB0128305	Phenylpropanoids and polyketides	Depsides and depsidones	Unclassified		C01572	37.2	0	M+K	C14H10O9	4.244534271	10923.22067	10506.578	10985.26871	9740.273791	10414.22393	9081.264921	8994.051747	8929.40925	10962.1006	8619.199007	7869.062682	15646.01788	12251.54224	9909.581678	9876.424876	10458.9712	11843.74089	10759.37711	12887.49703
0.66_325.1771m/z	325.1771438	0.660716667	pos	19-Oxotestosterone	63329	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	**	C05295	37.2	0	M+Na	C19H26O3	-0.898534408	12062.84855	9982.33494	11592.35217	10002.75158	9995.036609	9737.417116	10218.00732	12163.46335	10963.77321	12255.32006	10332.81026	9055.527771	8887.484337	9873.924112	6377.237884	9285.454908	8040.393862	9786.690633	10887.17603
0.68_399.1440m/z	399.144046	0.677733333	pos	Deoxypodophyllotoxin	2040	Unclassified	Unclassified	Unclassified			37.2	0	M+H	C22H22O7	0.543954722	24669.22249	19982.63306	22928.38412	28224.8248	8227.651228	17078.22903	18085.79664	20073.62426	25158.82507	9809.65748	17398.27951	22171.49465	35027.69353	13609.0224	34108.40157	24146.62407	18956.42136	24542.63424	40191.85034
0.70_413.0727m/z	413.0727466	0.695333333	neg	2-Amino-4-hydroxy-6-pteridinecarboxylic acid	HMDB0033136	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	*		37.2	0	2M-H	C7H5N5O3	3.731128729	8710.821523	8480.675663	5939.054565	11767.36496	4541.670469	3502.442394	13609.31563	6519.360599	7164.00453	630.2080963	12018.54693	13418.90074	5804.603149	8251.199404	9123.599043	10995.07661	5601.757789	9890.432443	8988.001491
0.73_228.0383m/z	228.0383296	0.7299	neg	Flonicamid	72269	Unclassified	Unclassified	Unclassified			37.2	0	M-H	C9H6F3N3O	-3.01426922	1882.043961	1786.562357	2038.118039	710.3939075	1517.885501	2091.539627	2878.952775	2747.247809	3891.169448	1791.286741	2290.545743	2682.87702	1736.441319	1747.733493	1574.731585	1964.626274	2644.81241	2028.257234	2472.587528
0.75_386.1301m/z	386.1300782	0.746966667	neg	Apholate	73037	Unclassified	Unclassified	Unclassified			37.2	0	M-H	C12H24N9P3	1.557450006	12790.90008	10319.97758	13866.63682	21639.46892	2861.043461	8523.443496	5933.142346	2482.952199	1418.348587	10898.21888	10800.01159	16042.27535	14201.88173	15211.59137	12529.01471	14988.25574	21808.87759	11132.86393	22949.98181
0.76_458.2064m/z	458.2064338	0.764	pos	Cadabicine	89283	Organic oxygen compounds	Organooxygen compounds	Ethers			37.2	0	M+Na	C25H29N3O4	3.232083695	12852.0353	14431.99588	11893.32505	8231.097267	17135.16134	17412.95347	10070.00782	3035.373542	5049.200514	18104.48507	11007.50856	16004.28543	22770.45774	23075.70243	7610.122602	11813.58857	12621.15407	13924.87702	18505.562
0.84_359.0222m/z	359.0221928	0.837816667	neg	6-Methylthiopurine ribonucleotide	719	Unclassified	Unclassified	Unclassified			37.2	0	M-H2O-H	C11H15N4O7PS	0.337152313	2173.222167	1759.386688	3083.026456	2217.426249	1589.020171	3045.397136	1755.802377	1770.556392	2555.308286	3108.748384	3066.683312	2365.320598	2910.187144	1819.909548	2472.520954	2760.373992	1550.053478	1898.821731	3206.414722
0.86_281.0360m/z	281.0359587	0.85685	neg	"4,6-Dihydroxysulfadiazine"	2440	Unclassified	Unclassified	Unclassified			37.2	0	M-H	C10H10N4O4S	3.401486745	37644.05218	34396.02594	34752.01494	41501.45534	34173.56044	29581.05505	33445.65656	39695.04706	43512.52355	30974.39622	38399.57276	35740.19318	30826.88461	26042.33679	26936.40977	25140.7974	26964.01767	34772.35757	39877.77705
0.92_302.0450m/z	302.0449982	0.919466667	neg	Clofarabine	85185	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Purine 2'-deoxyribonucleosides			37.2	19.1	M-H	C10H11ClFN5O3	-3.862405095	10842.39526	11244.96604	16832.01213	8738.502731	8876.298605	15148.94118	13592.29427	11107.80385	9193.241245	8109.427853	7789.646939	15369.13631	14872.98926	16112.62225	12631.35905	13643.49438	20027.53173	6291.27598	16274.63623
1.04_260.0572m/z	260.0571933	1.043083333	neg	N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid	HMDB0029234	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.2	0.978	M-H2O-H	C13H13NO6	2.677666438	5120.077621	4415.823562	6300.038148	4118.390529	4686.3066	3695.351382	7793.028072	8049.197525	5463.545014	4927.193048	6009.9381	1994.943433	10804.02287	2811.384103	3676.434681	6713.930853	3785.644224	6802.782251	8418.185577
1.06_247.1396m/z	247.139613	1.062216667	pos	L-N2-(2-Carboxyethyl)arginine	64560	Unclassified	Unclassified	Unclassified			37.2	0	M+H	C9H18N4O4	-1.903616334	15134.96599	15058.66407	10399.42607	14101.2912	11504.72743	17557.84185	4025.860576	10158.97145	8375.836528	11366.79922	8838.674742	5254.225472	16593.24362	11582.16077	17155.11823	9099.120373	13561.24754	15514.5263	18628.77455
1.06_260.0772m/z	260.0771826	1.063433333	neg	Hymexazol&nbsp	68843	Unclassified	Unclassified	Unclassified			37.2	0	M-H	C10H15NO7	-1.504515782	2103.920565	2194.194209	2965.470215	3061.986471	1468.046718	2885.690882	1060.736818	2047.605758	1612.051141	2846.612746	2630.101788	3376.741273	2257.339397	2421.744956	2834.966135	2795.434532	3023.960551	2745.251607	2617.07283
1.10_282.0984m/z	282.0984078	1.098716667	neg	"2,3-dihydro-1,4-benzodioxin-2-ylmethyl dimethylcarbamate"	96365	Unclassified	Unclassified	Unclassified			37.2	0	M+FA-H	C12H15NO4	0.408948084	259.7366292	283.3423391	225.0766678	570.1550054	0.000297236	183.7375369	0.000297236	477.3896544	399.2245692	0.000297236	401.8517996	973.4502332	237.5742264	86.35885392	192.2748932	239.9087738	605.5786058	534.378145	608.7685826
1.14_204.1382m/z	204.1381986	1.13905	pos	"(E)-2-Tridecene-4,6,8-triyn-1-ol"	87296	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		37.2	0	M+NH4	C13H14O	-0.494097431	2198.004498	3212.969603	3411.710891	2657.471754	3330.841314	2622.451156	3233.229402	3697.590897	3603.509428	2272.222833	2412.893196	2729.938494	2763.11975	2673.973484	2836.314325	3126.484845	3108.401682	2958.93601	2567.554679
1.18_215.0642m/z	215.0641611	1.1797	neg	Diphenylmethylphosphine oxide	519	Unclassified	Unclassified	Unclassified			37.2	2.61	M-H	C13H13OP	4.794010488	44831.33589	43197.23733	49336.00147	47912.13868	51905.36989	44619.7807	46826.30209	42508.75953	40559.86476	53999.21944	52370.41963	43104.01319	48884.10044	46562.49289	50646.48472	42907.90603	44175.10851	55520.96479	59274.97441
1.18_332.1102m/z	332.1102155	1.1797	neg	"[[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]-, (E)-Acetic acid"	2950	Unclassified	Unclassified	Unclassified			37.2	0	M-H	C15H18F3NO4	-3.9048446	1201.002784	1201.843724	969.2215758	627.1470222	1030.164941	1404.012462	1039.319251	2268.075647	1969.934534	1168.736725	933.7846036	2055.782977	639.1097151	983.6154414	715.936737	880.9842398	809.4384576	930.300766	860.6836301
1.18_487.1988m/z	487.1988399	1.1797	neg	Terretonin	HMDB0035860	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	*		37.2	0	M-H	C26H32O9	3.039113121	305.2882406	378.4003272	344.1263885	300.500747	768.1681399	515.7003278	0.000297236	0.000297236	0.000297236	314.4706872	0.000297236	176.2341307	324.8732843	383.2711158	300.7093088	230.3726124	758.4849106	977.1753598	1338.498102
1.26_387.0319m/z	387.0318955	1.259833333	neg	"4,4',6,6'-Tetranitro-2,2'-azoxytoluene"	71192	Unclassified	Unclassified	Unclassified			37.2	0	M-H2O-H	C14H10N6O9	-2.929060932	33319.24953	34898.66504	38400.94424	39068.87671	32649.73592	41023.87178	41109.17696	27066.05312	25194.25244	33878.83307	32554.94347	24389.36119	35666.30288	33813.06675	35748.66041	35676.99594	39799.29958	36622.99146	41925.36297
1.28_293.0746m/z	293.0746377	1.278566667	pos	Hydroxyflutamide	674	Unclassified	Unclassified	Unclassified			37.2	0	M+H	C11H11F3N2O4	0.923622141	13903.58783	15848.43443	14230.41286	15007.67289	15080.3728	13034.44837	14589.53581	10480.88249	10378.06234	16322.63703	14065.0484	9466.818162	12593.92556	16524.34323	17878.22521	14371.94753	17347.00582	17045.74768	14789.00186
1.34_215.0532m/z	215.0531686	1.336933333	neg	"(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene"	88601	Organic oxygen compounds	Organooxygen compounds	Ethers			37.2	0	M-H2O-H	C13H14O2S	-1.883694047	6271.23824	5725.699625	5537.106611	2741.614752	6401.463722	2999.123011	3807.52687	9374.896888	8455.664913	3688.712065	4307.517627	5493.844946	6034.896373	5967.461753	5644.101674	4502.900659	4976.526223	3686.643011	7125.706645
1.44_327.1174m/z	327.1174153	1.44135	neg	4-Thialysine	HMDB0029178	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.2	0	2M-H	C5H12N2O2S	2.42114162	411.2426684	484.6428893	516.5955086	274.0986323	699.7389701	308.0270587	694.5907085	165.059058	98.96312364	589.8348759	279.3406559	152.9369288	507.7856994	523.1739773	616.8345079	681.5550011	556.5795393	295.3902352	546.9917453
1.48_184.1120m/z	184.1119877	1.4757	pos	"1,3,11-Tridecatriene-5,7,9-triyne"	89829	Hydrocarbons	Unsaturated hydrocarbons	Enynes			37.2	0	M+NH4	C13H10	-0.531014303	1842.199673	1735.55178	2020.566778	1931.060008	1648.209504	1373.393961	1947.616699	1946.115527	1926.272476	1871.17188	1635.514686	1582.446391	1648.345274	1840.457046	2045.304281	1788.688509	1715.482231	1539.721861	1867.934828
1.71_462.1463m/z	462.1463286	1.70895	pos	Penicilloate	1225	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.2	0	M+H-H2O	C20H25N5O7S	4.482222759	20247.86288	23802.33869	19516.67233	20559.39962	22793.20654	22672.65727	19886.19366	19899.99702	18901.15053	19285.57259	18336.58226	26387.52246	23973.72463	27221.03186	21190.9067	20474.94704	22965.51759	21366.79641	17488.38098
1.82_428.1309m/z	428.1308896	1.822516667	neg	Fluazifop butyl	68784	Unclassified	Unclassified	Unclassified			37.2	0	M+FA-H	C19H20F3NO4	-4.583439215	589.4474928	736.0735825	672.3790702	523.2970333	798.43042	600.5805912	736.4469927	1521.929179	1127.804521	608.2438804	823.932668	1393.744669	603.7344816	676.6202507	506.1868593	544.3528839	565.2542485	618.7496065	503.7122502
10.01_174.1275m/z	174.1275091	10.0055	pos	"1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine"	66221	Unclassified	Unclassified	Unclassified			37.2	0	M+H	C12H15N	-1.252416509	4639.428798	3835.787023	4309.648169	4570.958249	4219.980208	4602.607852	4264.312809	4228.252047	4111.40942	4179.202316	4705.079507	4679.762389	4146.869271	4211.6515	4615.010085	4201.130889	4111.252969	4441.115048	4048.55274
10.30_313.1343m/z	313.1342988	10.29878333	pos	Gambirtannine	71764	Unclassified	Unclassified	Unclassified			37.2	0	M+H-H2O	C21H18N2O2	2.299585529	6898.244834	6676.081832	6677.294219	9400.270213	7443.257476	8002.148091	7178.001458	5702.180821	6157.086224	6088.840097	7121.977391	6545.495797	9214.880923	9528.714811	9847.152855	8932.911933	9585.202585	8944.388332	10000.50845
10.55_673.0309m/z	673.0309325	10.5516	neg	Tenoxicam	2686	Organoheterocyclic compounds	Thienothiazines	Unclassified			37.2	0	2M-H	C13H11N3O4S2	0.019679147	14486.74624	11994.02224	13832.30061	14546.47435	12301.5959	15130.41131	11859.639	10599.19154	12089.20536	13429.81807	13198.13546	13406.42132	16597.63278	12867.21046	15682.12366	14793.01579	11906.99848	13318.38372	11707.23825
10.61_408.3228m/z	408.3228132	10.61115	pos	MILTEFOSINE	43997	Unclassified	Unclassified	Unclassified			37.2	0	M+H	C21H46NO4P	-2.231358209	5190.030803	5559.843431	4957.230896	5633.304404	4296.649165	7515.25524	4674.044314	3063.354693	3796.245583	6755.516152	5524.210661	4792.589868	7460.919192	6000.107485	4506.382541	5342.527	5580.571975	6062.186963	6130.524334
10.68_652.3453m/z	652.3452996	10.67961667	neg	PHOOA-PE	LMGP20020023	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			37.2	0	M+FA-H	C29H54NO10P	-2.365669089	2935.739543	4353.335155	3675.888451	3358.176104	2887.877163	3000.489949	2683.333514	2064.176584	3181.388849	3643.34981	3283.942812	3207.669705	3519.242031	4270.299196	2676.156849	3357.666321	3774.110145	3508.127393	3762.709359
10.85_541.0122m/z	541.0122167	10.84901667	neg	Mecarphon	72756	Unclassified	Unclassified	Unclassified			37.2	0	2M-H	C7H14NO4PS2	-1.623461051	11425.87722	7734.940624	9148.072996	9518.227537	9766.216765	9295.134018	9179.877504	8768.431071	8970.137116	8968.951938	9385.187229	9040.038549	9607.73728	8401.294048	9480.134999	8041.989216	8308.742909	10191.0385	8307.812016
11.05_211.1689m/z	211.168944	11.04536667	pos	"Methyl (2E,6Z)-dodecadienoate"	LMFA07010930	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.2	0	M+H	C13H22O2	-1.486132429	2032.284616	2282.235969	2022.638957	2074.104851	2005.626084	2358.331474	2182.466609	2098.252539	2102.131481	2111.755808	2338.292517	2469.823558	1782.082987	1879.204644	2148.273791	2077.722045	1696.266527	2209.638547	2345.763489
11.40_618.3776m/z	618.3776024	11.4019	neg	PS(12:0/13:0)	3870	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			37.2	0	M-H2O-H	C31H60NO10P	-0.063074045	2823.77048	2849.311947	2445.252599	3004.761827	2174.130975	1982.646573	3530.403133	1099.977583	2044.111866	1770.014451	3653.464063	2976.601405	3243.309704	2981.46931	3203.038683	3335.231168	3028.456454	2587.360422	3509.081977
11.42_434.2648m/z	434.264814	11.4183	pos	Ramipril	HMDB0014324	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.2	0	M+NH4	C23H32N2O5	-0.321088663	1984.48276	3379.691732	3174.483715	2787.771251	2129.092257	2343.221761	2415.095019	2527.633363	3226.913751	2700.186085	1458.700468	5097.492939	4033.457225	11017.5692	16358.45444	2989.328643	0.000297236	1162.184279	2740.102389
11.49_283.2618m/z	283.2617982	11.48636667	neg	Oleic acid(d2)	45812	Unclassified	Unclassified	Unclassified			37.2	0	M-H	C18H32D2O2	2.254101602	2011.274569	1863.602991	1654.167961	2182.344247	1935.812418	2108.880691	2131.11039	1480.763319	1567.423289	1613.393116	2132.342964	1986.876365	2506.749936	2174.629968	1981.215817	2431.107999	2300.972229	1991.758195	2516.405996
11.58_163.1225m/z	163.1225195	11.58355	pos	Rilmenidine	68861	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones			37.2	0	M+H-H2O	C10H16N2O	-2.528017744	320.0372818	451.6216903	405.3265328	401.0107973	376.0091471	313.5363658	609.6183837	587.0395483	227.4148352	427.7514447	519.771802	1214.574926	175.036526	359.8118974	0.000297236	518.9980657	334.2224899	483.6636785	226.7292435
11.85_480.3075m/z	480.3075154	11.85016667	pos	PE(18:1(9Z)/0:0)[U]	40780	Unclassified	Unclassified	Unclassified			37.2	0	M+H	C23H46NO7P	-1.982968154	12545.89622	10969.32833	13926.03051	10204.80145	11680.64998	12217.56512	11221.74236	1410.903263	1593.962507	11426.34485	9322.720737	5181.661151	13484.74871	16599.41765	13309.15922	14274.16736	13627.46692	10267.14485	16613.75381
11.91_413.2463m/z	413.2462918	11.91175	neg	SALSOLIDINE	44388	Unclassified	Unclassified	Unclassified			37.2	0	2M-H	C12H17NO2	4.129569592	228.524724	267.7006588	389.5726815	716.2665101	378.8156162	714.6632769	674.4432073	534.0741822	937.3670027	835.4531377	673.5758083	572.0803243	678.4083766	858.7455283	1179.998024	325.3219461	726.2486186	619.2192523	545.3292481
11.95_367.0022m/z	367.0021914	11.95288333	neg	2-(sulfooxy)butanoic acid	HMDB0130137	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.2	0	2M-H	C4H8O6S	3.124486953	2029.044333	2065.108759	1774.925079	2097.179335	2137.106885	1784.841467	2217.812972	1841.511576	1493.398507	2371.330074	2415.906971	1731.434002	1837.683719	2064.234933	2022.55518	2450.041211	1853.969413	1825.492479	2071.6751
12.31_745.1805m/z	745.1804945	12.311	neg	Deacetylcephalosporin C	64542	Unclassified	Unclassified	Unclassified			37.2	0	2M-H	C14H19N3O7S	-1.301284177	8197.502998	5058.541127	6184.972371	5540.877084	6238.282023	4672.724324	6583.400299	4931.720604	4945.589689	6795.795944	5308.065135	6567.892064	7845.035533	6445.833933	6710.830368	7307.48022	7200.857631	6664.865825	6332.043633
12.35_425.1636m/z	425.1635535	12.35293333	neg	Scarlet Red	73202	Unclassified	Unclassified	Unclassified			37.2	0	M+FA-H	C24H20N4O	4.312097194	3914.057813	3527.138272	3559.40493	8061.973183	5153.320075	5388.193569	5170.350034	5451.924335	4163.503485	4121.27731	6513.682208	4201.934321	6325.59098	6497.857992	5743.051557	4978.297482	6498.562917	6699.083432	6407.653692
12.35_599.1825m/z	599.182534	12.35293333	neg	Coronene	73078	Unclassified	Unclassified	Unclassified			37.2	0	2M-H	C24H12	3.348318293	3929.877549	2493.144522	4372.246694	4161.556809	4157.50814	4659.125874	4517.870508	3424.514303	4723.183089	2804.358627	4354.162154	5122.117741	6273.287531	4597.418308	4592.654541	4360.569278	3640.540948	4944.190038	5293.565323
12.50_945.1670m/z	945.1670053	12.4998	neg	"S-(2,4-Dinitrophenyl)glutathione"	68892	Unclassified	Unclassified	Unclassified			37.2	0	2M-H	C16H19N5O10S	3.969815698	4069.901276	3612.344469	4832.136756	3058.286108	5181.890073	3980.401525	4047.322833	3834.280267	2330.922046	4157.122893	3249.341652	3267.897349	6254.229228	4197.300437	4913.356257	4339.431536	5644.44918	3338.655211	3509.058304
12.58_258.2785m/z	258.2784548	12.5819	pos	Palmitaldehyde	HMDB0001551	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	**	C00517	37.2	0	M+NH4	C16H32O	-2.856890988	4194.08885	3589.023519	4182.130724	4088.586058	4060.196208	4573.446181	4359.651953	4594.493887	3845.568923	4325.352553	4594.37175	3852.817835	4275.369037	4110.185441	4222.888761	4169.750852	4237.877247	5148.083189	3997.459761
13.23_254.9899m/z	254.9898974	13.23398333	neg	6-Phospho-2-dehydro-D-gluconate	63129	Unclassified	Unclassified	Unclassified			37.2	0	M-H2O-H	C6H11O10P	-4.542420805	1566.613161	1249.849587	1833.777807	1698.508706	1593.109611	1598.014164	1423.7867	1652.073042	1268.668156	1389.002372	1842.871742	1279.803024	1812.085982	1633.576958	1271.734948	1640.499762	1460.930195	1491.812427	1706.339575
13.25_288.0234n	333.0174353	13.25483333	neg	2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate (DAHP)	3414	Unclassified	Unclassified	Unclassified			37.2	0	"M-H2O-H, M+FA-H"	C7H13O10P	-4.344617422	8258.186306	9559.108372	9416.349658	9138.170943	9270.394859	8901.815204	8030.016298	9050.531785	9789.897867	9014.253318	9156.961953	9011.556029	8737.984581	9042.910982	8473.495381	9640.831595	8536.884175	9156.388617	8407.530754
13.52_507.0121m/z	507.0120981	13.52403333	neg	"3,4-dihydroxy-5-(sulfooxy)cyclohex-1-ene-1-carboxylic acid"	HMDB0130162	Organic acids and derivatives	Organic sulfuric acids and derivatives	Sulfuric acid esters			37.2	0	2M-H	C7H10O8S	0.192851819	5163.086916	4172.073459	4088.028571	5322.355262	4914.976667	5091.447186	5720.25575	5351.087069	6148.182362	4817.434802	5932.091376	5089.224	3989.131619	4834.565981	4719.693798	5409.783952	4423.828607	4535.765006	3024.038893
15.53_160.0995n	183.0869317	15.52508333	pos	Tryptamine	HMDB0000303	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives	***	C00398	37.2	0	"M+NH4, M+Na"	C10H12N2	-3.276390281	13615.88246	10583.81117	13661.61777	14535.54607	11486.61649	12713.03446	13663.64868	12239.45645	13981.05548	11609.11575	12841.71032	12061.09245	13024.58629	11668.55473	13669.66423	14827.42759	13520.36355	12819.75615	13747.52159
15.64_231.1584m/z	231.1584462	15.64291667	pos	Diisopropyl adipate	70124	Unclassified	Unclassified	Unclassified			37.2	2.32	M+H	C12H22O4	-2.77843034	3942.871784	3653.413831	3182.351165	3445.184391	3994.256633	4207.344041	3538.456709	3324.491643	3036.865369	3726.948157	4768.948059	3491.587691	3292.390518	3209.62728	2259.461649	3430.098712	3111.512836	3309.883327	3058.608013
15.72_445.1191m/z	445.1190971	15.71671667	pos	"3-(3-hydroxyphenyl)-2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol"	HMDB0129161	Phenylpropanoids and polyketides	2-arylbenzofuran flavonoids	Unclassified			37.2	0.97	M+K	C28H22O3	-2.352766597	341130.8489	406463.0642	320898.9452	358843.8502	337920.1867	368883.0283	352174.0286	341181.8519	347746.2622	340064.6008	375850.0406	360543.7814	404487.1878	343312.6861	349342.947	368167.7356	338549.0091	339091.9651	342370.8732
15.74_447.3459m/z	447.3459424	15.73598333	pos	"(3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol"	88190	Lipids and lipid-like molecules	Steroids and steroid derivatives	Ergostane steroids	*		37.2	0	M+H	C28H46O4	-2.115015048	15318.90327	13411.54585	14220.7518	14760.05143	16263.74018	17483.96682	16033.40941	16946.08954	16602.0296	18980.45873	21417.28595	13588.98627	14034.19125	12714.54031	14929.25879	13711.88371	14771.02258	14668.06111	12906.95738
15.76_185.1532m/z	185.1532478	15.75651667	pos	cis-3-Octenyl propionate	LMFA07010810	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		37.2	0	M+H	C11H20O2	-1.946859976	27476.52733	27260.6005	26177.1731	26015.93706	27189.59564	28459.26541	27850.48628	28765.44102	25426.59848	27049.84623	28649.54508	27138.31204	27507.82259	25304.94821	27908.87612	27899.03648	25476.70728	26972.56985	25829.74421
15.76_195.1377m/z	195.1377301	15.75651667	pos	"(R)-2-Acetoxy-p-mentha-1,8-diene"	92308	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.2	0	M+H	C12H18O2	-1.165176569	3648.392453	3683.174599	2913.901111	4014.912917	3330.073461	3938.148295	3615.031254	3394.751454	4817.251258	3341.518622	3982.141964	3887.212151	3523.765683	3731.634375	3504.428329	3806.263105	3542.906112	3421.11188	3798.299428
2.05_262.0483m/z	262.0483233	2.054766667	neg	FLUFENAMIC ACID	43461	Unclassified	Unclassified	Unclassified			37.2	0	M-H2O-H	C14H10F3NO2	-0.707448251	2133.519055	2332.491144	2011.3032	2725.897461	2028.157144	2377.426948	2189.204293	2029.161764	1660.373772	2115.361728	2574.099734	2225.224819	2144.605716	2263.781042	2252.786809	2125.185519	2603.57465	2305.865595	2612.721721
2.12_277.0595m/z	277.0594683	2.119316667	neg	flunixin	4044	Unclassified	Unclassified	Unclassified			37.2	0	M-H2O-H	C14H11F3N2O2	0.159199245	3390.472328	3271.997115	3305.892218	4327.185772	1974.184721	1640.477641	3242.260301	3319.739326	7160.120036	2026.404352	4587.969771	6032.983779	4165.031224	4133.291222	3159.642818	2640.284052	2303.709068	3036.484304	5041.188553
2.25_356.1327m/z	356.1326783	2.24635	neg	"1-Propanamine, N,N-dimethyl-3-(5-oxidodibenzo[b,e]thiepin-11(6H)-ylidene)-, (E)- (9CI)"	2432	Unclassified	Unclassified	Unclassified			37.2	0	M+FA-H	C19H21NOS	0.289626426	2757.983068	3080.16287	3123.386552	1696.318216	3511.363292	6126.128798	1453.30183	10266.35364	8391.890031	3471.395856	1510.320481	1690.810908	1550.997229	1406.353552	1385.533357	1400.873096	1586.967124	1639.290835	1628.335089
2.49_184.1119m/z	184.1119302	2.488916667	pos	"(3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne"	HMDB0039104	Hydrocarbons	Unsaturated hydrocarbons	Enynes			37.2	0	M+NH4	C13H10	-0.877049452	8017.439637	6923.583265	6997.132385	7620.29117	6463.032192	7058.679987	7212.299989	6647.79753	7457.766603	7839.376919	7566.576459	7657.540003	6377.536869	7005.689195	7363.850541	6596.441509	6336.677384	7093.183387	6556.70099
2.51_229.1433m/z	229.1433108	2.509066667	pos	3Z-dodecenedioic acid	LMFA01170137	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37.2	0	M+H	C12H20O4	-0.546987926	13300.58856	11841.53218	11484.82733	11978.75939	11781.07105	12189.98885	12374.37569	11686.72531	11370.61041	12084.30279	12436.04397	12479.86752	11005.19295	11562.76365	12688.27615	13373.26191	12128.87564	11949.38839	11749.27558
2.54_254.0642m/z	254.0642409	2.542016667	neg	Modafinil	HMDB0014883	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes			37.2	0	M-H2O-H	C15H15NO2S	-0.980251181	3390.512228	3180.329716	3417.798156	234.7525494	2732.885678	511.6234034	331.8314352	35962.58054	6190.661137	416.7085104	258.8726637	801.4017365	558.7274021	800.7489941	900.8453835	518.1907805	1168.667661	568.2835222	834.788284
2.56_357.0890m/z	357.0890496	2.5627	neg	Quinacridone	HMDB0034058	Organoheterocyclic compounds	Quinolines and derivatives	Benzoquinolines			37.2	0	M+FA-H	C20H12N2O2	3.105106223	49625.01024	37625.94786	45550.71051	32198.55807	51346.49421	51876.83174	88741.4574	78610.81837	94662.01568	62867.43919	54310.16757	21372.54754	48422.46354	42685.75002	32580.94206	32355.87891	35895.97367	19016.4878	25909.07869
2.66_197.0005m/z	197.000477	2.664816667	pos	"1,2-Naphthoquinone"	70317	Unclassified	Unclassified	Unclassified			37.2	0	M+K	C10H6O2	3.413940736	3627.958305	4610.505705	3741.122045	3620.436287	3271.718476	3330.485153	4096.259106	3799.906175	3602.873043	3762.231584	4117.657192	4313.195995	4211.265582	4268.852164	3745.571724	4438.213791	3647.324555	3393.960732	3464.402288
2.66_462.1460m/z	462.1460038	2.664816667	pos	Azlocillin	1213	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C06839	37.2	0	M+H	C20H23N5O6S	3.953044462	6130.46558	6525.812938	6224.518662	5594.965304	6056.931226	6583.743116	5499.682617	6184.550937	5018.843028	5517.350413	5122.526001	8676.445455	6978.869734	7659.189888	6839.75632	7870.028785	5501.901357	5840.434178	5990.684021
2.75_344.0492m/z	344.049183	2.754933333	neg	Flufenacet	72506	Unclassified	Unclassified	Unclassified			37.2	0	M-H2O-H	C14H13F4N3O2S	1.552234818	12529.3905	13032.08005	12040.90881	15543.86539	11956.92955	13897.97706	14562.15074	10954.99197	11412.97204	12761.94912	14090.64249	12915.24722	14517.61428	12876.98737	11603.76783	11765.97821	11055.2088	14254.30972	13359.35298
2.75_371.0682m/z	371.0681601	2.754933333	neg	Triphenyl phosphate	69897	Unclassified	Unclassified	Unclassified			37.2	0	M+FA-H	C18H15O4P	-2.570987761	11976.83477	13154.89887	11665.42496	15361.72537	11524.66971	13050.36282	14261.63564	11040.25886	11570.51239	12947.48852	13945.80909	11617.37179	15173.20755	13176.02446	11655.50445	11973.98841	11425.67313	14436.75213	11957.54449
2.75_381.0107n	380.007472	2.754933333	neg	5'-Carboxy meloxicam	HMDB0060779	Organoheterocyclic compounds	Benzothiazines	Unclassified			37.2	0	"M-H2O-H, M-H"	C14H11N3O6S2	4.555423501	3657.677106	3396.272851	2987.081786	2314.152807	1993.755891	2382.818599	2672.941697	8216.232211	9187.168928	2275.9773	2013.084229	8305.135137	2894.501861	2200.324462	2091.336893	1982.970521	2122.161934	2631.746535	1894.274253
2.75_422.0656m/z	422.0656372	2.754933333	neg	5'-Hydroxysulfapyridine glucuronide	2557	Unclassified	Unclassified	Unclassified			37.2	0	M-H2O-H	C17H19N3O9S	-1.636543638	67118.4296	68824.30071	66527.59433	82906.31749	63701.00368	72761.95491	78774.01622	59277.46386	63693.12481	71354.79238	75729.46777	65027.94931	78366.59893	66864.30823	62082.564	63227.24132	63246.69734	77041.26837	67661.686
2.97_384.1057m/z	384.1056621	2.966683333	neg	Phosphatidylserine	HMDB0014291	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			37.2	0	M-H	C13H24NO10P	-2.191716111	1595.879208	1470.039435	1556.470754	1046.026633	1568.528502	3530.344878	1301.306576	1783.780509	2077.057031	2508.52161	1416.027006	1076.330912	1438.216293	2011.532194	1464.897884	1156.032358	1256.536914	1417.790074	1924.649856
3.42_392.1199m/z	392.1199263	3.416116667	neg	KINETIN RIBOSIDE	43508	Unclassified	Unclassified	Unclassified			37.2	0	M+FA-H	C15H17N5O5	-3.5873379	4414.743596	4110.488815	4362.439884	5271.165765	4298.852079	4845.294911	5234.495123	4819.042825	4006.538992	4453.961828	4482.275011	4481.946679	4230.954631	4318.210769	4462.095954	4710.224395	5221.065479	5330.853847	4285.174573
3.60_373.2210m/z	373.220967	3.598316667	pos	"(3S,5R,6S,7E,9x)-7-Megastigmene-3,6,9-triol 9-glucoside"	LMFA13010057	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		37.2	4.42	M+H-H2O	C19H34O8	-2.851800156	4296.907044	4693.293227	4416.96606	5205.936653	5851.898156	3125.546047	4696.854318	4633.984004	3356.343592	3855.949009	5316.340124	3530.39774	5076.046765	5175.31843	3658.642812	5430.021831	4085.126522	5848.514155	6112.941578
3.79_332.0720m/z	332.0719906	3.786533333	neg	Sulmazole	69680	Unclassified	Unclassified	Unclassified			37.2	0	M+FA-H	C14H13N3O2S	3.274576734	3212.736588	3368.630168	3051.608993	4085.132442	3094.501998	3751.019359	2403.574888	2945.275794	3432.068928	3549.923947	3527.914925	2754.591971	3415.63895	3091.736363	3964.33113	4264.67208	3604.931754	3993.673438	2926.433555
3.89_171.0055m/z	171.005459	3.892883333	neg	3-(trifluoromethyl)-Benzoic acid	1959	Unclassified	Unclassified	Unclassified			37.2	0	M-H2O-H	C8H5F3O2	-4.546412386	503.1102255	668.8563292	638.1716557	361.1733112	1248.749481	572.1304013	992.8755258	338.8114345	485.1586355	817.1913549	584.0443152	578.4730688	720.8737835	630.1273746	803.9731088	676.5852829	628.1521303	399.732127	474.2025623
4.06_703.3604m/z	703.3603733	4.0574	pos	Viomycin	65608	Unclassified	Unclassified	Unclassified			37.2	0	M+NH4	C25H43N13O10	1.405333799	1709.091666	2747.793858	1913.185719	1839.148718	1955.046744	1061.372586	1365.735932	425.2340097	480.128687	899.1819543	1578.838827	575.5340391	1699.954842	1641.489377	1952.65639	1654.186693	2794.809687	1369.205106	1155.922458
4.12_201.0759m/z	201.0759275	4.119566667	neg	3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid	88984	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37.2	0	M-H	C9H14O5	-4.550770668	509.644816	457.4726849	502.4786015	467.0696169	426.2977434	527.2469836	466.7060719	880.7230169	497.9041425	412.719797	357.8901414	549.5735244	444.6889398	345.3598002	419.9271228	414.9880539	412.038019	348.6197405	373.5801988
4.31_807.3956m/z	807.3956157	4.306116667	pos	Ustilagic acid	LMFA13010033	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides			37.2	0	M+Na	C36H64O18	-3.659044964	1416.773425	2111.759509	1847.346802	1213.888184	1835.93568	4096.775076	2323.738386	4411.791545	1912.782855	8950.693983	4296.465599	1864.215464	1002.703204	3265.145699	2037.85903	1016.372525	1527.869073	401.293701	456.1858707
4.41_218.1051n	219.1123978	4.410033333	pos	N-Acetylserotonin	HMDB0001238	Organoheterocyclic compounds	Indoles and derivatives	Hydroxyindoles	***	C00978	37.2	0	"M+H, M+Na"	C12H14N2O2	-1.863186408	5303.50001	5280.916484	5024.487173	5647.630712	4179.448589	7299.495937	5714.177208	3677.029316	3314.904354	4448.025261	4728.18627	2953.115019	6898.725941	5681.835006	4679.753296	3971.568084	5320.641302	4838.070781	7132.078477
4.42_495.1193m/z	495.1192976	4.4158	neg	"1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene"	HMDB0060326	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C14806	37.2	0	M-H	C20H24N4O9S	0.351985593	786.5452755	961.5751316	719.8186188	1974.854941	681.7695376	1123.742662	314.0688841	243.022679	540.7750811	1209.690062	1051.906237	716.3475459	638.8715508	457.8957179	2067.856661	1882.662844	1408.574245	1686.180398	379.6221064
4.76_213.1594m/z	213.1594127	4.759316667	pos	"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl-"	1264	Unclassified	Unclassified	Unclassified			37.2	0	M+NH4	C11H17NO2	-1.750554393	928.6260013	564.4795748	590.9014441	688.046741	569.4986554	620.5090912	616.3724923	502.7690421	687.3065895	533.5516854	790.8225007	564.7777728	516.6331274	498.0337731	688.9977139	572.7616951	395.3588168	726.8770895	550.8185138
4.91_173.1000m/z	173.1000019	4.91215	neg	Hexanethioic acid S-propyl ester	HMDB0039466	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl thioesters	*		37.2	0	M-H	C9H18OS	-3.20431311	2506.661942	2312.145607	2578.147343	1449.186175	3940.659883	1643.393747	1774.523651	3652.201197	3274.972941	1576.719919	2601.173254	1875.842186	2436.359558	3185.244654	3013.370709	2380.008698	2964.6055	2083.14684	2900.012197
5.02_241.1792m/z	241.1791787	5.02275	pos	Spermine	HMDB0001256	Organic nitrogen compounds	Organonitrogen compounds	Amines	**	C00750	37.2	0	M+K	C10H26N4	1.353768715	2349.31793	2503.784482	2293.886212	2340.477748	1948.242106	2388.198165	2193.861456	2441.432442	2407.906137	2262.42902	2327.846938	2123.405222	2256.863209	2263.460606	2433.766803	2453.7602	2395.266772	2473.645161	2057.316101
5.21_303.1382m/z	303.1381574	5.210333333	neg	Derricin	LMPK12120009	Lipids and lipid-like molecules	Polyketides	Flavonoids			37.2	0	M-H2O-H	C21H22O3	-2.781439241	447.5663443	417.5532242	424.9671898	202.0354652	315.410104	263.7651078	472.594889	2195.993504	1422.831766	220.7257066	185.262121	585.8164086	287.2402923	257.3250384	111.9493247	195.248729	159.615987	185.7372795	256.0091878
5.29_400.1910m/z	400.1910309	5.289466667	neg	S-Octyl GSH	68973	Unclassified	Unclassified	Unclassified			37.2	0	M-H2O-H	C18H33N3O6S	-0.321439427	249.0884163	285.6117031	269.9796066	0.000297236	152.0019955	0.000297236	224.4110424	1952.610726	1900.845344	141.8012487	67.29589653	933.3199448	47.2174758	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	51.45957991
5.58_191.9555m/z	191.9554838	5.578866667	pos	Thiocysteine	HMDB0003585	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C01962	37.2	0	M+K	C3H7NO2S2	3.302565666	2053.678425	2272.66014	2198.05394	37.37070677	0.000297236	0.000297236	0.000297236	13542.96842	15833.90746	0.000297236	0.000297236	6462.393766	0.000297236	33.10924127	35.77490546	0.000297236	39.81610357	33.80303384	0.000297236
6.72_380.2562n	425.2546301	6.7244	neg	Bisnorcholic acid	43151	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		37.2	0	"M-H, M+FA-H"	C22H36O5	-0.240401013	408.3933136	374.1403539	373.4883925	328.3130216	461.9497919	153.2644291	675.3859033	0.000297236	0.000297236	393.7511484	77.62844646	0.000297236	158.3720668	980.8619334	683.5394383	1014.358433	1738.609919	1508.909566	220.5293479
6.72_453.1871m/z	453.1870739	6.7244	neg	Fluprostenol methyl ester	45218	Unclassified	Unclassified	Unclassified			37.2	0	M-H2O-H	C24H31F3O6	-4.994399854	45229.75793	46576.57193	46987.72863	34102.55964	34466.70599	30320.80667	46829.00155	28409.99122	102107.7226	39040.48828	36396.42902	67801.54654	124662.6447	34645.02842	30349.24176	36095.813	61533.26245	38040.94042	44736.38709
7.30_481.0906m/z	481.0905874	7.303466667	neg	"7-Chloro-3,3',4',5,6,8-hexamethoxyflavone"	88599	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids			37.2	0	M+FA-H	C21H21ClO8	-0.25401484	4168.098904	2876.683106	2800.054114	3315.372584	3328.401686	2930.772828	3125.712955	3120.00248	3325.199657	3263.4632	3176.379747	3684.237914	3578.198172	4239.023322	3789.130756	3246.536744	3620.966291	3011.670123	4085.804495
7.85_226.1442m/z	226.1442478	7.847733333	neg	5-Ethyl-4-methyl-2-pentyloxazole	92695	Organoheterocyclic compounds	Azoles	Oxazoles			37.2	0	M+FA-H	C11H19NO	-3.418707074	744.1834743	700.0504177	693.4251345	724.5931378	653.3517588	1809.295749	811.3625427	221.44251	338.6723017	1414.552452	749.1862511	560.1144737	640.5187431	947.9732767	543.6343751	561.2242708	492.9550942	392.4112931	800.5644169
7.97_252.1591m/z	252.1591173	7.9696	pos	Furmecyclox	72673	Unclassified	Unclassified	Unclassified			37.2	0	M+H	C14H21NO3	-1.205021704	2069.290882	1757.54415	1873.956732	1825.868662	1902.827001	2247.768299	2023.060531	1519.96176	1219.742003	2417.174681	2281.960515	1743.683446	1933.703473	2816.945069	1648.089562	1957.699069	2085.588742	2004.204276	1780.18944
0.21_223.1328m/z	223.1327779	0.2131	pos	1-hydroxy-5-(4-methoxyphenyl)-2-methylpentan-3-one	HMDB0132943	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		37.1	0	M+H	C13H18O3	-0.418361825	2939.310563	2479.219628	2687.315572	2349.633468	2385.868886	2651.625536	2542.770129	2482.924938	2246.341913	2919.739445	2998.569703	3235.084409	2689.773819	2726.26942	2509.423766	2562.012465	2513.355622	2916.459608	2654.969124
0.44_201.1846m/z	201.1846135	0.439416667	pos	2-Heptyl butyrate	HMDB0032310	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.1	0	M+H	C12H24O2	-1.463593031	2986.634706	2938.571937	3105.31546	2706.663732	2666.244629	2854.960267	3114.435903	2965.224436	2917.739365	2867.677337	2670.331146	3096.209647	2690.538679	2780.181442	2558.780517	3065.027081	2892.939783	3028.616229	3067.268686
0.48_255.2102m/z	255.2101747	0.478916667	pos	5a-Androst-3-en-17-one	HMDB0006046	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	*		37.1	0	M+H-H2O	C19H28O	-2.029905139	4248.024013	4662.214389	4860.942311	4686.490072	5127.013453	6774.89017	5114.266919	4672.099743	4554.622554	5681.668625	4909.919748	4740.268544	4954.682797	4271.110888	4012.415462	5887.544133	5428.631817	4650.282337	4770.063234
0.57_209.1900m/z	209.1899563	0.572433333	pos	2-Decylfuran	HMDB0032215	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			37.1	0	M+H	C14H24O	-0.170502917	1054.256585	1019.920814	1226.422104	913.9814916	994.8610967	1250.980858	750.5887159	892.699474	686.0253897	1004.952184	875.0128421	544.1818715	913.2632108	868.0589077	863.5048213	877.9054237	802.7461202	1529.806078	671.227257
0.64_411.0128m/z	411.0127619	0.643516667	pos	NORSTICTIC ACID	43603	Unclassified	Unclassified	Unclassified			37.1	0	M+K	C18H12O9	3.956108843	37331.05629	37809.86582	35947.68041	38199.0991	37698.07459	33059.53809	41730.00931	24098.13898	24614.82119	32333.51785	44415.37085	28195.47954	45414.4594	39124.16277	47535.73689	46730.41636	41967.61446	49340.78113	35356.68129
0.70_148.0565n	149.0635107	0.695266667	pos	Methyl 4-(methylthio)butyrate	LMFA07010952	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.1	0	"M+H-H2O, M+H"	C6H12O2S	4.571561799	247264.792	268038.1546	249641.0165	254846.6712	240401.2191	259091.2972	247769.4836	233523.6107	253891.7547	284666.5372	249613.2941	284093.2522	250664.7853	289185.133	257461.636	264969.2191	266248.8389	253595.0078	286398.3504
0.71_405.1168m/z	405.1167771	0.712233333	pos	"3,4,5-trihydroxy-6-{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-2-yl]oxy}oxane-2-carboxylic acid"	HMDB0132991	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		37.1	0.648	M+Na	C18H22O9	3.072770635	75000.79949	85257.63065	82029.76054	90181.1411	64154.65733	82463.01532	58957.90669	70150.56216	84074.79321	73252.70819	74189.32507	81429.10191	75032.63407	71644.81529	91167.37082	83001.81741	60314.97895	91360.2803	91988.88034
0.75_191.0551m/z	191.0551036	0.746966667	neg	Coriose	73263	Unclassified	Unclassified	Unclassified			37.1	0	M-H2O-H	C7H14O7	-4.798589355	792.2992788	1294.377069	951.6135101	1136.655433	542.6122694	137.117367	649.5429205	2625.6079	1694.213562	0.000297236	536.3212214	4510.91678	124.0700665	837.1171396	780.1069562	383.0545949	508.9959364	751.0788369	104.1502351
0.75_230.9435m/z	230.9434622	0.746966667	neg	2-Thiophenethiol	86444	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			37.1	0	2M-H	C4H4S2	-0.627708641	4856.285617	4808.684	4733.481354	7060.006242	2042.759869	5899.444287	5494.104418	3320.270583	3219.282938	4688.252181	4879.053795	3325.755825	5398.493571	4120.159003	5014.133529	5472.056201	5054.260102	7607.063925	4991.964699
0.75_295.0513m/z	295.0512765	0.746966667	neg	Neryl diphosphate	LMPR0102010002	Lipids and lipid-like molecules	Prenol lipids	Isoprenoid phosphates	**	C05847	37.1	0	M-H2O-H	C10H20O7P2	2.201460277	4787.204221	3646.977225	3873.1661	2576.558787	6071.178889	8295.807332	2314.448133	9434.167781	3089.651236	3805.081824	1646.824737	4419.103239	1512.715043	1496.792671	1137.742952	1249.137887	2203.706532	1330.482776	1205.355261
0.76_223.0390m/z	223.0389856	0.764266667	neg	Glycyl-Cysteine	85751	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.1	0	M+FA-H	C5H10N2O3S	-2.417614961	343.6004605	431.124387	476.406723	288.725299	885.6334608	348.0742269	405.6636604	1545.207722	1483.78214	0.000297236	225.3706937	1219.843822	293.8599485	763.4662992	0.000297236	302.5704671	0.000297236	274.7714098	529.1199436
0.76_223.0745m/z	223.0744937	0.764	pos	Aldoxycarb	72667	Unclassified	Unclassified	Unclassified			37.1	0	M+H	C7H14N2O4S	-0.948608302	2217.407779	1939.304287	2478.040161	2584.034938	2722.186793	2128.44724	2277.122067	2829.162872	2675.834057	2164.79913	1986.094337	2333.199702	1820.479181	2594.406493	2715.250037	2852.306385	2243.843421	1400.151283	1485.758127
0.76_292.1024m/z	292.1023609	0.764	pos	"2-Deoxy-2,3-dehydro-N-acetylneuraminic acid"	66213	Unclassified	Unclassified	Unclassified			37.1	0	M+H	C11H17NO8	-1.140562138	20582.36998	22336.13216	23754.57835	27945.05635	17052.13947	23032.63238	15010.26831	23285.28869	32128.14613	19689.39381	23251.34685	39613.28549	25624.6112	17557.07333	22583.65643	23160.21258	14368.45794	20447.92804	19384.06843
0.82_161.1104m/z	161.1104458	0.816033333	pos	1-Isothiocyanatohexane	HMDB0038432	Organosulfur compounds	Isothiocyanates	Unclassified			37.1	0	M+NH4	C7H13NS	-1.748407083	4541.699623	4114.505027	3984.546899	792.8734197	5747.500827	1142.456129	4370.61012	0.000297236	1590.687167	3253.134205	5477.030703	2107.29805	6443.896541	10001.55138	11786.26585	9900.905728	4837.83131	1867.113701	3341.206021
0.94_203.0664m/z	203.0664101	0.937716667	neg	L-beta-aspartyl-L-alanine	HMDB0011162	Organic acids and derivatives	Peptidomimetics	Hybrid peptides			37.1	0	M-H	C7H12N2O5	-4.581650843	445.9485431	522.7404267	617.4127464	411.2796236	511.4667404	634.1820196	433.3811817	601.0090375	485.3774691	419.7171892	369.8693047	991.0642888	461.0624284	524.0346117	439.5738368	425.817749	427.3025472	443.9299072	627.5758446
0.94_245.0275m/z	245.0275358	0.937716667	neg	"(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid"	70331	Unclassified	Unclassified	Unclassified			37.1	0	M-H2O-H	C13H12O4S	-0.95807862	12782.45917	12435.86546	14162.13532	10600.98734	12097.50539	14173.95499	11549.80512	11711.86228	15323.43726	17063.77183	14017.83308	11049.00135	10813.01849	11980.1917	11563.10582	10651.94812	12771.28894	10904.8355	15877.84646
0.94_493.2052m/z	493.2052331	0.937716667	neg	diflorasone diacetate	3983	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids			37.1	0	M-H	C26H32F2O7	1.820620753	1858.91411	2400.195639	2753.55301	1605.779159	3228.788193	2499.842979	1688.993772	2715.969443	1227.494082	2738.721528	1994.982674	5536.36805	2492.447145	1869.143619	1850.094403	1643.22967	2370.955082	1979.653188	2035.527934
0.95_184.1119m/z	184.111902	0.94875	pos	(E)-1-Cinnamoylpyrrolidine	HMDB0038835	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Unclassified			37.1	0	M+H-H2O	C13H15NO	-0.864410104	1253.290556	1317.286797	1198.450333	1551.352631	1502.90487	1761.753477	1067.866899	1413.465515	1508.846366	1797.19751	1843.2076	990.0481578	1335.435043	1007.960125	1764.273622	1103.886618	1462.934947	1586.930881	1354.563791
0.99_253.0911m/z	253.0910512	0.9872	pos	2-Keto-3-deoxyoctonate (KDO)	4143	Unclassified	Unclassified	Unclassified			37.1	0	M+H	C9H16O8	-2.946147499	232.1660435	332.0278789	329.6850903	613.1026306	282.713382	0.000297236	534.5139879	0.000297236	0.000297236	178.4211777	212.9296397	247.0367626	747.3713189	619.432225	145.1480243	0.000297236	234.9012742	152.821572	664.238245
1.04_439.0484m/z	439.0483549	1.043083333	neg	Epithienamycin F	71664	Unclassified	Unclassified	Unclassified			37.1	0	M+FA-H	C13H18N2O8S2	-0.775329058	923.6862998	519.561535	912.7581895	496.9535666	467.632218	706.6608135	294.2772276	1414.343837	1258.806335	674.159295	1217.579244	212.7071066	1863.933897	735.3240552	1536.11768	648.5467671	929.9035872	330.5795908	1352.429463
1.06_161.1105m/z	161.1104516	1.062216667	pos	"2-Ethyl-2,5-dihydro-4,5-dimethylthiazole"	HMDB0037176	Organoheterocyclic compounds	Azolines	Thiazolines			37.1	0	M+NH4	C7H13NS	-1.707853415	14952.30121	12656.77193	10417.86546	3902.380592	15430.05647	3548.31086	16752.75746	1421.851381	4160.435417	10372.49673	15374.86655	0.000297236	19885.72279	27920.68459	39577.79935	32005.72207	15397.16271	5573.263197	7630.949188
1.06_193.0679m/z	193.0678825	1.062216667	pos	2-(Methylthiomethyl)-3-phenyl-2-propenal	HMDB0037166	Phenylpropanoids and polyketides	Cinnamaldehydes	Unclassified			37.1	1.4	M+H	C11H12OS	-1.457490556	96254.64373	100413.1238	98405.80026	77414.07656	125925.6556	87701.66843	149563.2776	48768.7072	72015.37839	126165.0465	123095.0002	52981.26728	97520.78319	114242.1516	111950.1294	113643.5522	112302.2061	78634.92934	96722.10136
1.14_405.0661m/z	405.0660725	1.13945	neg	"6-(5-carboxy-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0128022	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins			37.1	0	M+FA-H	C14H16O11	-3.865177517	2904.327832	3002.608452	2381.715714	2491.870887	2788.128302	5014.912123	3268.621654	1654.267614	1941.923973	3657.703274	2911.46803	629.2839503	2211.916987	1984.231832	2200.935416	1869.496074	2054.813018	2548.371566	3290.716046
1.18_204.0869m/z	204.0869203	1.1797	neg	N-Acetyl-D-quinovosamine	70939	Unclassified	Unclassified	Unclassified			37.1	0	M-H	C8H15NO5	-4.026538628	438.536063	500.5030644	460.648468	346.0574066	762.0268033	674.8955288	303.2074192	707.0590355	708.3948045	597.6506028	291.3411085	618.0305397	368.4239919	345.6770812	264.7802695	193.4476832	202.4946428	160.2297071	263.5444237
1.22_203.1430m/z	203.1430153	1.219283333	pos	"13-Nor-6-eremophilene-8,11-dione"	92449	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		37.1	0	M+H-H2O	C14H20O2	-0.119392337	1209.343437	1649.052163	1166.448162	1326.655962	1098.529709	1377.407813	1034.446666	1517.841932	1797.826247	1150.09309	1107.989602	1129.554301	634.1840283	1844.522056	1471.828163	1099.135132	887.1767857	1392.22145	909.3638644
1.26_763.1531m/z	763.1530548	1.259833333	neg	Salvianolic acid L	92292	Benzenoids	Naphthalenes	Phenylnaphthalenes			37.1	0	M+FA-H	C36H30O16	2.042748978	2423.255698	3374.002985	3379.26062	1120.861009	3735.87038	0.000297236	1851.829106	14460.69044	3568.376427	1155.613899	0.000297236	949.1536634	1500.671121	0.000297236	1116.001529	1364.175157	0.000297236	3809.166404	1299.973308
1.28_336.0681n	335.0608005	1.278416667	neg	"3-hydroxy-2-(3-methoxyphenyl)-5-sulfino-3,4-dihydro-2H-1-benzopyran-7-olate"	HMDB0127797	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids			37.1	0.751	"M-H, M+FA-H"	C16H16O6S	3.920895795	532250.5686	577759.1696	625429.0459	641601.5733	569872.8257	662394.4892	668660.8285	462921.8919	508880.103	629363.9894	619281.0632	351288.7713	571760.2906	507908.8888	587005.7168	587919.688	576730.6046	598674.5919	612636.8783
1.30_133.1048m/z	133.1047879	1.296916667	pos	2-Heptanethiol	88347	Organosulfur compounds	Thiols	Alkylthiols			37.1	0	M+H	C7H16S	1.816619045	947219.3395	1043502.407	978496.6495	1005928.707	943853.6498	930483.8343	890923.9717	827824.7565	728794.1604	956491.7311	918488.805	1002962.043	1101326.623	1050757.381	1121364.21	1037643.647	1038655.168	1065632.9	1214734.767
1.34_241.0267m/z	241.0266909	1.335283333	pos	"5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone"	HMDB0034663	Benzenoids	Naphthalenes	Naphthoquinones			37.1	0.589	M+K	C12H10O3	2.665482999	35506.04557	34651.69241	36064.4106	14098.84527	36162.13366	11916.84824	16649.5575	86059.26281	72650.4744	12304.4065	24418.5233	39684.53121	29368.67532	38936.92529	32662.135	27080.90506	28589.72496	19361.96092	33230.32582
1.34_270.1087m/z	270.1087394	1.335283333	pos	5-Hydroxy-N-formylkynurenine	HMDB0004086	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C05648	37.1	0	M+NH4	C11H12N2O5	1.159808282	669.9808822	415.2510881	472.6395792	1265.236138	391.3031241	1201.748307	667.2825057	1854.389425	532.8862902	446.6050668	478.4465472	518.5752766	0.000297236	469.8194535	554.2068938	457.9827825	671.0848993	747.7298493	692.0966829
1.34_306.0479m/z	306.0478774	1.335283333	pos	"2',3' cyclic CMP"	62429	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00127	37.1	0	M+H	C9H12N3O7P	-2.246781007	609.3810954	652.8156759	709.8104248	0.000297236	1395.078148	0.000297236	0.000297236	5193.028558	3789.85488	0.000297236	189.2713654	1103.307182	535.1186429	926.0449283	623.5918225	164.4892326	300.6306993	0.000297236	1102.671887
1.48_145.0738n	146.0810881	1.4757	pos	4-acetamidobutanoate	44719	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C02946	37.1	20.9	"M+H, M+Na"	C6H11NO3	-0.562361677	12517.80838	11527.02741	12142.89671	10055.64855	11219.4497	10416.93356	10768.1109	22185.22129	22064.68977	10488.54965	9793.223823	16685.05232	9924.559055	10140.58412	9244.713806	8527.33591	9571.042745	9511.370606	9629.687593
1.57_252.0898m/z	252.0897833	1.572783333	pos	QUIPAZINE	44221	Unclassified	Unclassified	Unclassified			37.1	0	M+K	C13H15N3	0.129934889	909.4762121	1445.840725	1215.821648	1412.714626	961.6719104	622.6941814	845.3007726	1041.919024	1662.608657	1044.303675	1135.96358	1053.230077	1798.797007	2046.344278	1230.229333	1227.728659	1048.916151	1050.062753	1279.523183
1.65_202.0713m/z	202.0712887	1.6536	neg	N-Acetyl-β-D-mannosamine	4229	Unclassified	Unclassified	Unclassified			37.1	0	M-H2O-H	C8H15NO6	-3.651927878	412.5547831	514.8009968	445.552876	476.3386007	649.393253	438.9045798	439.0032466	863.7510706	603.1625515	376.7863113	287.5191312	635.037884	504.6754747	485.8936677	365.6013819	245.5935619	341.7799167	345.1275598	433.7152898
1.68_215.1030m/z	215.1029663	1.67535	neg	Etiracetam	85076	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C07841	37.1	0	M+FA-H	C8H14N2O2	-4.492852858	100.9936051	97.87091347	152.108387	72.67636409	55.53777814	27.985135	64.12069787	282.8099899	860.7234387	0.000297236	32.55994834	571.8576216	95.71072309	130.7458127	35.38946219	57.01727263	70.42052316	67.51671955	142.7170882
1.80_221.0037m/z	221.0036768	1.801683333	neg	Methacrifos	72519	Unclassified	Unclassified	Unclassified			37.1	0	M-H2O-H	C7H13O5PS	-2.554786934	718.564452	815.8774573	818.6069492	463.6033301	622.4594425	490.0066999	447.9331099	1526.956898	3072.663742	744.2637517	446.5004073	1316.541756	476.2686049	595.6944144	611.7585289	363.2855239	506.9026577	494.551981	389.8364348
10.21_266.1512m/z	266.151198	10.21133333	neg	Alchorneine	68389	Unclassified	Unclassified	Unclassified			37.1	0	M+FA-H	C12H19N3O	0.826781169	261.8505389	307.5053869	246.6069955	219.0775163	252.4754509	239.7401766	195.3479637	206.1942906	156.2315012	257.1426089	378.9476691	137.1393204	285.2374047	275.9817227	257.1141198	281.9080722	256.3001129	208.7175813	157.1941218
10.23_579.0263m/z	579.0263039	10.23283333	neg	UDP-L-Ara4O	63217	Unclassified	Unclassified	Unclassified			37.1	0	M+FA-H	C14H20N2O16P2	-1.319706537	36733.61461	34747.10114	33197.88039	34467.42456	34534.34816	34888.82169	34901.15912	35841.11338	36950.04549	35803.07489	36111.26707	36368.7476	35462.46234	34373.46867	33569.29382	37000.73225	34014.75293	34489.64859	33858.99041
10.28_262.1406n	280.1743905	10.27795	pos	Triethylene glycol diglycidyl ether	73214	Unclassified	Unclassified	Unclassified			37.1	0	"M+NH4, M+Na"	C12H22O6	-4.094757561	6649.542997	6253.803739	9281.756569	5422.439205	6560.610887	4909.286553	6509.027257	6020.999813	6880.007516	7719.974472	5495.99328	5693.259484	5444.894588	5925.641336	6798.36241	6391.173686	4476.880965	5871.589898	6867.992917
10.34_463.2916m/z	463.2915768	10.33883333	neg	3-Mercaptohexyl hexanoate	92584	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.1	0	2M-H	C12H24O2S	-1.181945293	1335.796761	1071.517546	888.4810638	1198.201623	1454.683263	1162.052554	811.3019017	1053.838481	1525.497004	1537.95304	1712.656283	1165.309676	808.5840656	936.8758308	1599.942663	1748.083672	1222.043967	1124.224777	1199.795782
10.42_261.1721n	279.2059438	10.42206667	pos	Acrifoline	67964	Unclassified	Unclassified	Unclassified			37.1	0	"M+NH4, M+K"	C16H23NO2	-2.912809188	2882.896641	2902.94268	2749.843096	3245.466382	2292.904238	3102.4911	2430.47572	2572.58924	2468.106096	2601.387175	2657.459547	3453.329154	2415.912963	2638.817768	3025.32378	2914.035364	3211.717287	3741.800568	2783.05545
10.42_642.2468m/z	642.2468102	10.42206667	pos	4-O-beta-D-Galactopyranosyl-D-xylose	93493	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37.1	0	M+NH4	C22H40O20	2.709091189	6681.841784	5083.84812	5447.958904	4973.71849	6272.62684	4669.537734	6516.050787	9521.179543	10131.38071	4412.978704	5426.136088	7489.227362	5810.341148	4646.645733	7077.729635	7854.109624	7859.03669	6599.848641	6877.919455
10.53_385.2732m/z	385.2731952	10.52578333	pos	"MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0)"	HMDB0011587	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	*		37.1	0	M+H-H2O	C25H38O4	-1.308095889	12040.98567	7388.140753	10486.601	10215.01594	11499.12011	13729.40419	11274.93913	5359.839412	7921.551338	11404.23848	11622.74708	3715.881301	11255.94408	11792.74891	10195.75109	11425.84985	10481.1581	11937.77851	15268.77864
10.69_288.1595m/z	288.1595127	10.69353333	pos	7-Hydroxy-5-methoxy-6-methylflavan	LMPK12020257	Unclassified	Unclassified	Unclassified			37.1	3.21	M+NH4	C17H18O3	0.343306609	3596.037142	2869.241306	3370.952934	3807.518825	2894.376023	2944.785015	2913.501319	2820.334583	2880.245505	3472.967385	3322.574384	3107.288233	3372.599036	3123.600197	3539.670915	3635.631401	4235.658176	3644.179777	3543.109798
10.74_755.2636m/z	755.2636388	10.74271667	neg	Galactinol dihydrate	62462	Unclassified	Unclassified	Unclassified			37.1	0	2M-H	C12H26O13	-4.980353586	7730.333417	8028.208337	6739.928467	12022.9854	9905.228628	9129.514185	10751.1824	4543.58071	6796.256918	10717.73765	12179.3672	9166.149205	14773.72705	16343.19887	12676.01702	14728.67947	9064.798821	11279.41255	13096.43003
10.82_185.0071m/z	185.0071135	10.81821667	pos	"4-carboxy-2-hydroxy-cis,cis-muconic acid"	45915	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates	**	C04324	37.1	0	M+H-H2O	C7H6O7	-4.706472644	412.1341437	493.354766	272.1197477	265.4151959	198.5621465	345.1095908	312.7268557	243.855394	374.0428736	296.0921349	284.2526506	272.281902	244.1809859	346.8475794	164.9375275	549.8156791	338.5815639	314.9438602	306.3525775
10.86_289.1305m/z	289.1304895	10.8603	pos	Borreline	67386	Unclassified	Unclassified	Unclassified			37.1	0	M+Na	C17H18N2O	-2.421118823	13102.39352	11227.599	14263.41107	12287.38978	16638.84705	16050.0684	12150.04448	13758.86418	13798.85247	13939.07793	12772.21385	13297.33368	14608.51515	13521.35658	14077.62193	15468.64636	14717.19021	14547.57907	15186.02013
10.91_592.3241m/z	592.3241129	10.9122	neg	PHOHA-PE	LMGP20020019	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			37.1	0	M-H	C28H52NO10P	-2.518197928	9222.957374	12001.26833	13178.03732	7469.744119	10985.7028	9780.109576	6948.199162	9501.697691	8677.781966	7964.295077	7812.894438	7076.520161	8463.285218	6935.368472	7464.472578	7517.464051	7010.534102	5999.368052	7982.265514
10.95_355.2042m/z	355.2042125	10.9545	neg	2-Hydroxytrimipramine	2967	Unclassified	Unclassified	Unclassified			37.1	0	M+FA-H	C20H26N2O	4.823113204	774.5108307	665.1634725	537.5064072	460.2216697	269.5605536	963.8177728	516.9390067	887.1244634	452.1194532	716.8540348	373.1880646	1782.451605	233.2673453	323.6763541	939.7286489	1113.623445	1013.869014	1290.342196	1338.978272
11.19_800.5447m/z	800.5446535	11.1889	neg	"PC(14:0/20:3(8Z,11Z,14Z))"	LMGP01011374	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C00157	37.1	0	M+FA-H	C42H78NO8P	-0.072105362	122014.1786	161760.6858	118085.6641	129056.7285	121504.3443	130028.5911	159373.0662	136309.9469	172945.7981	188858.6848	131313.2921	143694.9071	6357.102209	189861.6292	181462.6955	206680.6964	150910.2697	148568.4793	114554.7734
11.23_1030.5221m/z	1030.522099	11.23078333	neg	Dehydrotomatine	88109	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	*		37.1	0	M-H	C50H81NO21	-0.710862972	5489.246077	4811.50301	5805.211258	4206.999085	5148.785203	5102.452219	5748.755744	4977.528517	5397.757531	7353.339155	7949.814433	6602.198606	7104.918461	0.000297236	8518.465717	7141.971999	4132.153203	6632.89367	5593.783718
11.42_211.1689m/z	211.1688612	11.4183	pos	alpha-Terpineol propanoate	88148	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.1	0	M+H	C13H22O2	-1.880260652	2132.545872	2023.156867	2357.702784	2492.499062	1963.128857	2104.46551	2369.740235	2094.008393	2605.374008	2185.257438	1920.64917	1788.57038	2118.53706	2167.546732	2060.748977	2397.945343	2423.440149	2240.162199	2293.003842
11.58_332.1765m/z	332.1764552	11.58355	pos	MDA 19	64763	Unclassified	Unclassified	Unclassified			37.1	0	M+H-H2O	C21H23N3O2	2.051915532	22978.46156	19424.01297	21607.41643	22167.08579	22203.58097	20928.14058	24268.3767	19891.48392	20608.15468	18594.52174	24542.46199	21704.00106	19304.90324	24104.04668	25468.23271	25756.69401	26238.04375	23537.69168	22516.48926
11.97_337.2729m/z	337.2729443	11.9722	pos	"MG(0:0/18:2(9Z,12Z)/0:0)"	HMDB0011538	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	***		37.1	0	M+H-H2O	C21H38O4	-2.19350928	2030.289021	2070.686079	1815.202873	1509.544401	2477.408139	1196.340559	1397.393891	4931.988044	4785.558362	2975.073572	1188.560925	2934.184319	1138.768537	3055.008301	2351.255456	829.2342262	2144.103568	1348.519686	1394.469852
11.99_582.8929m/z	582.8928577	11.99223333	pos	"Ethanesulfonic acid, 2-(1-(difluoro-((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethane"	88302	Unclassified	Unclassified	Unclassified			37.1	0	M+K	C9HF17O5S	4.367736582	16309.19694	12887.46792	15236.72616	15671.78249	11824.91946	14718.98173	15279.30098	13699.50823	13996.80976	12930.33384	12239.2544	15892.58902	14825.98579	15512.17267	12382.97241	13458.68637	12634.52534	15092.15864	14345.84814
12.27_335.0132m/z	335.0132205	12.27021667	neg	Methyl 1-(methylthio)propyl disulfide	HMDB0033042	Organosulfur compounds	Organic disulfides	Dialkyldisulfides			37.1	0	2M-H	C5H12S3	0.803877394	1870.082482	1916.976535	2171.317992	1991.377106	2015.180985	2001.692542	2100.018558	2010.537693	2028.88249	2473.64205	2042.96982	1637.52993	1998.84332	1579.017381	1857.113987	2143.246627	1914.032259	1782.804239	2028.023465
12.36_387.1617m/z	387.1617108	12.3611	pos	NNAL-N-glucuronide	HMDB0060498	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37.1	0	M+H	C16H24N3O8+	-4.934097443	46019.15863	29443.22272	45472.70245	56263.00929	52266.97456	49352.58203	47857.87077	45293.0996	41303.57758	45771.82952	52104.8832	40260.58603	40466.06982	44456.66023	45657.53607	55822.228	52812.82471	59305.4686	61085.19527
12.40_358.2418m/z	358.2418156	12.39566667	neg	N-margaroyl taurine	LMFA08020247	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			37.1	0	M-H2O-H	C19H39NO4S	-0.856083452	2357.252423	2317.665087	2579.313884	3022.216601	1998.627654	3377.069231	2945.321579	1644.863087	2271.035476	2481.259481	2670.09581	1738.373936	3949.513182	3948.688152	2968.932408	3046.104923	3671.127177	3047.305996	2752.254524
12.56_508.3403m/z	508.3402965	12.56431667	neg	LysoPE(0:0/20:0)	62269	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		37.1	0	M-H	C25H52NO7P	-1.112615891	3188.808968	2934.37537	2415.89984	2817.697615	3214.140906	2485.717877	3063.753053	1880.528364	2439.493956	1634.938191	2826.775901	3474.123377	4092.31466	3699.170398	3989.701248	2946.810467	3269.514268	2824.300117	3032.642235
12.82_369.0348m/z	369.034756	12.81668333	neg	Uridine monophosphate (UMP)	3453	Unclassified	Unclassified	Unclassified			37.1	0	M+FA-H	C9H13N2O9P	2.1184942	4979.748509	5230.53932	5060.826062	5380.069322	5430.912619	5328.646748	4428.369451	5232.465208	4934.02959	5210.326342	5756.717368	5621.834202	4498.666461	4591.717892	4546.070503	5041.038892	5004.663869	5519.900354	4262.731263
12.94_429.1734m/z	429.1734259	12.9408	neg	FK-409	62986	Unclassified	Unclassified	Unclassified			37.1	0	2M-H	C8H13N3O4	-1.184401233	3270.885741	3753.192446	4211.974381	3045.919002	2448.196662	3743.95919	3723.864798	13552.83523	15255.04348	2021.515496	4306.667474	9602.70688	3107.014303	2496.620277	2781.48529	3215.760397	3547.610305	3479.532614	3157.6801
13.25_256.2398n	255.2324899	13.25483333	neg	Butyl dodecanoate	LMFA07010793	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.1	0	"M-H, M+FA-H"	C16H32O2	-1.810653261	2402.569114	2113.469335	2713.777794	2648.465961	3481.832099	2274.419663	1897.552126	2393.54603	2401.211636	1940.329997	2235.509065	3469.207287	4062.756584	2517.811276	2325.317002	3091.649669	1605.45771	2604.358044	2933.237819
13.52_199.1801m/z	199.1800767	13.5158	pos	"2-Butyl-4,5-diethyloxazole"	92697	Organoheterocyclic compounds	Azoles	Oxazoles			37.1	0	M+NH4	C11H19NO	-2.280164543	52758.83702	39897.21928	48210.21253	48591.23156	47005.001	46857.42731	47774.09289	48483.74097	46811.52221	50050.17631	53061.05265	41607.77265	43145.86563	44225.04936	46831.70184	50766.42077	49093.8077	48551.25852	44194.29677
15.66_190.1082m/z	190.108223	15.66131667	pos	Castanospermine	65740	Unclassified	Unclassified	Unclassified			37.1	0	M+H	C8H15NO4	4.434521354	3696.058392	3940.50255	4498.509705	4572.270641	3459.948904	4314.982686	3681.77889	2524.95667	4138.252443	3484.688795	3366.407011	4081.240863	3458.695698	3722.843189	4041.719366	4860.670826	4619.275565	3747.936219	3401.915446
15.76_177.1271m/z	177.1270716	15.75651667	pos	Carvyl acetate	92818	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.1	0	M+H-H2O	C12H18O2	-1.648283463	9102.149637	8409.586064	7781.366254	8331.850059	8391.05798	8001.924842	8908.751675	8452.530024	8871.126836	8626.846119	9209.217598	7891.98531	8618.029503	8170.983273	7999.105414	9230.664164	7934.110134	7474.049935	8071.569446
2.05_683.2663m/z	683.2662615	2.054766667	neg	"(E)-1,2-bis(6-methoxyquinolin-4-yl)ethene"	96339	Unclassified	Unclassified	Unclassified			37.1	0	2M-H	C22H18N2O2	-0.171978631	59113.68981	79069.85192	69813.07818	66518.03891	69050.57333	53494.15536	67301.48162	53184.47751	52085.9082	66255.32035	59358.82623	54894.20273	76457.97594	74652.42534	64810.3988	62165.55732	70507.29206	76267.43925	96352.00039
2.08_385.0240m/z	385.0239502	2.075433333	neg	{[4-(7-methoxy-2-oxo-2H-chromen-6-yl)-2-oxobut-3-en-1-yl]oxy}sulfonic acid	HMDB0128972	Phenylpropanoids and polyketides	Coumarins and derivatives	Unclassified			37.1	0	M+FA-H	C14H12O8S	1.349726019	15386.6655	15449.9025	17312.16774	18017.0386	16281.30585	14138.38179	17959.54803	15904.15166	16556.65926	17774.51234	17779.29443	14985.59031	15633.66827	14900.0324	15193.8811	16487.67467	16608.43239	16827.18933	16377.364
2.08_939.1710m/z	939.1709627	2.075433333	neg	(E)-Resveratrol 3-glucoside 4'-sulfate	HMDB0037073	Phenylpropanoids and polyketides	Stilbenes	Stilbene glycosides			37.1	0	2M-H	C20H22O11S	1.780657748	3991.760114	3907.55675	6025.976435	4372.546821	4767.169818	2229.775939	5202.685659	3107.573026	4730.657137	4389.777886	3787.77063	4291.891897	7302.380878	6667.703104	3872.235471	4502.194024	6143.988152	2883.504168	3201.419148
2.24_238.1071m/z	238.1071309	2.235266667	pos	TUBAIC ACID	44615	Unclassified	Unclassified	Unclassified			37.1	0	M+NH4	C12H12O4	-1.151777769	624.9617931	642.8069478	582.1838074	1032.960371	471.9721268	339.8954335	195.1567724	1068.914597	623.6196891	360.6365365	491.6480984	866.9792775	357.2919351	557.9344501	760.7835062	941.9665199	893.7863678	1123.82684	901.0716761
2.33_205.1222m/z	205.1221775	2.33315	pos	2-Phenylethyl 3-methyl-2-butenoate	HMDB0037721	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.1	0	M+H	C13H16O2	-0.630311343	744.2039467	726.4717269	724.9057331	773.5584033	785.9704463	715.5768066	1022.976987	845.6960566	744.5905146	817.2132651	778.5698826	700.711243	732.4439647	762.5767137	991.240854	729.8419972	785.8295641	784.6085484	730.8432543
2.37_231.1345m/z	231.134491	2.373166667	neg	Spermic acid 2	HMDB0013075	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.1	0	M-H	C10H20N2O4	-2.324775947	118.6029523	95.33919185	96.73672485	121.849969	185.7901529	86.32943461	58.49199943	0.000297236	0.000297236	119.1641834	88.15465103	0.000297236	154.6228843	94.31086531	151.4278971	56.9248845	102.2247464	59.06724	104.6204298
2.73_230.1027m/z	230.102728	2.7334	neg	3-Hepteneoylglycine	HMDB0094729	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.1	0	M+FA-H	C9H15NO3	-3.609995666	491.1456504	373.4359129	575.9251709	380.194082	679.3902995	731.4801544	249.3787429	504.6060175	750.1678576	840.1651021	353.9909759	625.12646	295.3949997	261.6551986	260.9983513	394.221466	263.4901493	435.522893	288.5073117
2.92_269.2473m/z	269.2472797	2.92155	pos	Cyclohexaneundecanoic acid	HMDB0030997	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C12100	37.1	0	M+H	C17H32O2	-0.846271121	3158.699945	2513.79634	2669.400787	3156.242629	2517.134525	2674.413533	2729.260163	3089.193376	3139.219619	2821.214523	2785.239555	3071.994983	2581.535382	2550.999056	2324.68704	2847.6231	3065.215035	2650.010776	2506.853115
3.21_468.1461m/z	468.1460917	3.210133333	neg	2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2-(hydroxymethyl)-3-oxo-1-phenylpropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid	HMDB0133623	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37.1	0	M-H	C20H27N3O8S	3.159626488	580.6030793	685.3646612	434.6055794	0.000297236	444.8223363	82.33724217	0.000297236	3837.867152	2816.606452	92.12437967	70.98940565	214.6017515	160.2875828	253.25836	74.41203234	85.54053095	0.000297236	74.84081905	0.000297236
3.53_205.0877m/z	205.0877315	3.534466667	neg	"6-methoxy-3-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol"	HMDB0124919	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	*		37.1	0	M-H2O-H	C12H16O4	3.184196566	1833.092965	1947.749197	1933.058734	2099.245186	1759.84055	1902.897675	2218.97237	1490.097519	1539.322952	2029.490463	1904.445336	1817.581694	2108.412568	2109.180889	1817.496373	1880.170109	2227.63277	1949.7098	2357.090321
3.53_791.2010m/z	791.2009933	3.534466667	neg	"({4-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}cyclohex-1-en-1-yl}methoxy)sulfonic acid"	HMDB0126283	Phenylpropanoids and polyketides	Diarylheptanoids	Linear diarylheptanoids			37.1	0	M+FA-H	C39H38O13S	-0.699320843	12622.64202	12069.43613	12226.16397	12607.9694	10916.88425	13207.31337	12012.26617	9421.511138	8729.809208	13708.0158	11755.78484	10551.73185	11558.63828	12719.41626	12974.7783	13747.07079	16871.14293	16035.66328	14401.00935
3.66_234.0087m/z	234.0087179	3.65935	neg	2-Pyridyl hydroxymethane sulfonic acid	68992	Unclassified	Unclassified	Unclassified			37.1	0	M+FA-H	C6H7NO4S	4.953687467	1156.843629	1002.198087	1216.156768	981.7243355	1048.349182	988.4666276	1144.465073	1012.947758	857.7497214	1212.4729	997.4258998	957.9914267	1227.218856	1070.773587	1494.596707	1052.505717	1178.885451	1080.778724	1019.186546
3.68_428.0726m/z	428.0725901	3.680483333	neg	Pantoprazole	1697	Organoheterocyclic compounds	Benzimidazoles	Sulfinylbenzimidazoles		C11806	37.1	0	M+FA-H	C16H15F2N3O4S	-1.947860045	3032.654921	2953.370296	2621.842371	3961.962798	2621.953872	2174.613021	2410.310315	4278.194707	4890.402023	2609.656695	4010.592132	3308.233436	2255.389526	2629.124399	2415.423336	3218.736229	2443.681433	2247.317272	2073.450226
3.74_276.1806m/z	276.1805543	3.742016667	pos	Serratamic acid	LMFA00000002	Lipids and lipid-like molecules	Fatty Acyls	Other Fatty Acyls			37.1	0.0679	M+H	C13H25NO5	0.017962036	6270.748861	7349.362668	6996.898064	5590.891056	5434.96003	8058.743124	5491.877658	13127.50443	15973.71473	5345.921882	6641.502306	9607.585223	5365.656571	5435.406712	5660.59904	5265.777503	5731.441714	5805.183618	4899.104024
3.95_381.0393m/z	381.0392859	3.952483333	pos	"1,3-Glyceryl dinitrate glucuronide"	1584	Unclassified	Unclassified	Unclassified			37.1	0	M+Na	C9H14N2O13	1.33144148	2647.275827	3110.107925	2177.966583	2155.668306	3192.825769	2140.213344	1526.709233	4482.460221	4760.279294	2190.278323	2799.648711	4772.109347	1688.762917	2320.157063	1898.642138	3018.009028	2505.190123	2691.538783	2221.947837
4.04_256.9305m/z	256.930521	4.038033333	neg	Metam-sodium	72232	Unclassified	Unclassified	Unclassified			37.1	0	2M-H	C2H4NNaS2	4.75537236	16043.23686	16260.61966	15652.05741	91.71646586	129.6228965	121.9662255	111.4379818	59721.19991	75913.14325	104.4905942	117.1658675	32830.91365	95.23615929	139.8951743	119.482529	125.26551	133.1479849	128.378731	90.73045652
4.12_151.0352m/z	151.0352322	4.11915	pos	1-Isothiocyanato-2-(methylthio)ethane	93133	Organosulfur compounds	Isothiocyanates	Unclassified			37.1	0	M+NH4	C4H7NS2	-4.395036461	10041.36288	10890.47046	9691.421237	10000.03397	10095.58939	10701.02335	9620.001576	9414.925007	10385.32539	8940.481007	10463.21682	10556.50149	10788.62899	10646.36462	11824.40012	11435.77044	11604.02131	10861.5622	9250.913608
4.31_213.0762m/z	213.0761851	4.309783333	neg	(4-Hydroxy-3-methoxyphenyl)ethanol	HMDB0038925	Benzenoids	Phenols	Methoxyphenols			37.1	0	M+FA-H	C9H12O3	-3.938665728	592.942483	502.8006845	516.7397733	307.948118	567.4147089	474.608114	290.0990785	1195.59642	563.2714099	324.905544	381.6148362	449.3730436	397.649156	362.5606323	391.7807167	330.3742464	350.2632383	348.1862681	289.1485155
4.37_225.1484m/z	225.1483775	4.36835	pos	3-Methylbutyl 2-furanbutanoate	92559	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37.1	0	M+H	C13H20O3	-0.63990484	1446.620892	1337.877856	1153.367516	1249.168436	1205.934952	1378.69684	1229.494657	1228.93034	1277.470638	1179.247825	1411.293495	1450.337886	1130.349909	1235.440013	1317.457644	1542.933065	1318.338719	1163.814155	1158.378733
4.37_341.0787m/z	341.0786818	4.372916667	neg	"3,3'-Dimethoxybenzidine-4,4'-diisocyanate"	73106	Unclassified	Unclassified	Unclassified			37.1	0	M+FA-H	C16H12N2O4	2.607601246	1271.844736	1335.423744	1522.913197	1387.658625	1388.293091	1408.8845	1396.316464	1051.650455	1373.458231	1251.905727	1403.783079	1510.728439	1548.652228	1354.474089	1251.523561	1058.216332	971.086217	1154.139512	1307.171502
4.54_224.0558m/z	224.0558081	4.5414	neg	"5,8-Dihydroxy-3,4-dihydrocarbostyril"	1552	Unclassified	Unclassified	Unclassified			37.1	0	M+FA-H	C9H9NO3	-3.562596968	362.1438089	496.174569	417.4052952	310.6761007	677.5969335	546.2505534	307.7019593	341.9531328	356.0439085	543.4087469	327.5312168	456.155366	193.2975703	228.5591681	485.127593	497.1231927	366.3905575	439.8486958	537.4874697
4.64_229.1432m/z	229.1432121	4.63615	pos	"(-)-11-hydroxy-9,10-dihydrojasmonic acid"	LMFA02020012	Lipids and lipid-like molecules	Fatty Acyls	Octadecanoids			37.1	5.89	M+H	C12H20O4	-0.979635018	2531.810706	3197.335466	3143.466769	3238.61695	3257.66114	3264.125117	3058.208232	3115.840295	4148.622157	3339.979898	3260.043178	3367.776957	3057.171726	3095.945692	3457.488676	3570.748338	3202.044436	3306.981339	2896.350411
4.90_347.2035m/z	347.2035019	4.9001	pos	"6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione"	70662	Unclassified	Unclassified	Unclassified			37.1	0	M+H-H2O	C21H29FO4	4.949118752	12547.08857	12273.24927	11594.47147	1706.760558	20424.83093	9749.320746	13674.77618	21900.96707	6924.231769	5865.1644	5702.013498	12031.43878	2690.59416	7073.027025	2302.630287	11708.63813	6228.171321	5140.207977	26335.69594
4.95_335.0230m/z	335.0229695	4.954616667	neg	"[3-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid"	HMDB0127741	Phenylpropanoids and polyketides	Flavonoids	Flavans			37.1	0	M-H2O-H	C15H14O8S	-0.360958953	339.0902942	341.8120848	320.4912534	0.000297236	411.2902669	1359.474721	0.000297236	0.000297236	19.53237988	2795.466097	0.000297236	22.29119851	139.5759372	243.3137956	1039.931412	0.000297236	292.7790966	124.0636351	25.03148069
5.04_231.1232m/z	231.1232106	5.038466667	neg	"6-Methyl-2-methylene-6-octene-1,3,8-triol"	HMDB0038692	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		37.1	0	M+FA-H	C10H18O3	-3.152244963	343.0268452	488.9797429	296.1714725	226.6687165	275.2302813	131.3234286	311.8897044	914.8157464	445.9636158	151.2622838	256.1409499	324.9903367	300.6348276	259.3340707	265.6713539	170.5674287	218.690337	262.5701068	244.41672
5.28_187.1325m/z	187.1324763	5.281066667	pos	"(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol"	HMDB0033642	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.1	0	M+H-H2O	C10H20O4	-1.933108952	3941.753475	4064.727557	3711.552166	4251.682564	3669.715435	3670.069211	3752.734069	3843.649554	3839.312412	3967.123504	3615.813639	3572.423019	3674.785224	3636.04341	3926.534335	4217.963503	3100.947556	3821.210909	3982.535869
6.07_427.1866m/z	427.1866474	6.0661	neg	Lochnerinine	64319	Unclassified	Unclassified	Unclassified			37.1	0	M+FA-H	C22H26N2O4	-2.126627569	1220.509275	1377.81113	1215.450374	2547.753759	337.6898518	1504.34496	709.759981	2591.04425	999.1972976	523.2422	671.7148825	2592.18506	787.0303152	2105.994939	1281.956087	1328.931369	1595.304881	1835.921309	1641.756971
6.07_432.2237m/z	432.2237003	6.0661	neg	URAPIDIL	44217	Unclassified	Unclassified	Unclassified			37.1	0	M+FA-H	C20H29N5O3	-3.983220675	946.9791291	861.8610619	939.258479	2081.566003	269.9161842	1324.488622	1010.51179	2317.74158	671.786065	155.5520615	591.1476213	2355.070152	640.0906546	1496.719865	1118.571864	1085.977498	1093.671512	1487.992168	1247.47381
6.79_202.2163m/z	202.2162595	6.787316667	pos	Dodecan-2-one	98163	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds		C14996	37.1	0	M+NH4	C12H24O	-1.52777885	810.0196889	766.6111651	811.9100265	877.3423964	1636.669113	783.9299288	688.9447622	579.242859	691.2933229	632.6327162	832.4694546	644.2269788	893.1251279	514.3245738	494.3207014	876.1601991	640.2790748	1789.584899	830.9528113
7.30_226.1442m/z	226.1442415	7.303466667	neg	"4-Hexyl-2,5-dimethyloxazole"	HMDB0037890	Organoheterocyclic compounds	Azoles	Oxazoles			37.1	0	M+FA-H	C11H19NO	-3.45358271	307.9614572	255.7262649	281.3947655	393.2582017	351.4966171	284.9165959	287.212114	250.9872092	644.6833798	248.7946596	264.1649538	556.5758764	261.2306929	239.2020503	205.0728122	214.1930083	200.931225	314.7640365	287.1662574
8.10_329.0041m/z	329.004073	8.095966667	neg	Pyrroloquinoline quinone	HMDB0013636	Organoheterocyclic compounds	Quinolines and derivatives	Pyrroloquinolines		C00113	37.1	0	M-H	C14H6N2O8	-3.229273046	1326.779556	1503.813091	1273.812389	1204.687435	1457.43811	1352.502867	1272.960244	780.4656741	1199.647925	1751.516639	1735.740156	1244.914549	1288.901192	1651.670122	1224.28954	1489.737833	1321.631273	1054.977576	891.2321172
9.11_363.1691m/z	363.1690871	9.111633333	neg	Methylscopolamine	HMDB0014605	Organic acids and derivatives	Hydroxy acids and derivatives	Beta hydroxy acids and derivatives			37.1	0	M+FA-H	C18H24NO4+	1.103103432	1212.668672	1307.513234	1215.385586	795.4993244	1663.820817	894.9580714	1112.131634	1534.204305	1875.137941	1642.203755	1365.912638	896.5890582	801.1427573	1627.282491	1704.720501	1404.54395	867.8417283	932.5399827	960.729264
9.33_214.1799m/z	214.1798745	9.331016667	pos	p-Menth-1-en-9-ol acetate	HMDB0037301	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37.1	0	M+NH4	C12H20O2	-1.432062087	781.5453347	555.0136133	781.6951823	686.753897	489.5177527	765.0380811	677.538577	612.6247543	601.4140987	707.0925727	697.3363264	698.8667011	662.1900335	718.163489	796.0805006	793.200327	648.1611669	781.7068117	610.938266
0.18_243.2110m/z	243.2109767	0.176983333	pos	6-[5]-ladderane-1-hexanol	LMFA05000063	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			37	0	M+H-H2O	C18H28O	0.958575043	2352.611028	2695.62924	3011.195244	2562.927411	2731.14092	2995.90336	2735.192935	3301.373275	2797.569312	2574.097963	2686.430469	2545.286193	2714.754219	2278.632359	3108.714115	2952.927575	2540.979189	2886.391175	2525.302813
0.60_259.0784m/z	259.0784351	0.6019	neg	Gualenate (Sodium Gualenate)	2458	Unclassified	Unclassified	Unclassified			37	0	M-H2O-H	C15H18O3S	-4.995437791	6402.628905	8656.949817	5287.06287	6822.763401	5104.862752	9074.527892	10348.31715	5001.973085	7689.677938	5200.93272	4881.564459	4680.236386	5885.658871	5460.646233	8391.22829	7763.109861	5195.272159	8496.388068	7215.28976
0.62_335.0449m/z	335.044869	0.623133333	neg	4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-O-sulphate	HMDB0059976	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		37	0	M+FA-H	C11H14O7S	2.214784717	8267.336859	8092.880196	8349.557125	11369.47614	6709.245885	7253.606466	6848.312911	5124.464894	5228.407847	6960.112045	10059.08371	7745.472578	8869.309623	10001.04799	8703.522014	11202.23881	9065.41144	13683.99013	8324.673697
0.64_209.0486m/z	209.0486422	0.643516667	pos	2-(2'-Methylthio)ethylmalic acid	64491	Unclassified	Unclassified	Unclassified			37	0	M+H	C7H12O5S	3.947766797	6200.344844	6447.639342	7532.487106	6469.709836	7290.44928	5044.140486	6462.189455	5299.021565	5912.154446	5914.438138	6173.036769	7356.317751	7093.070946	5982.097171	7358.649928	7074.396857	6793.962797	6460.812704	8416.946308
0.64_395.0389m/z	395.038858	0.643516667	pos	Caffeic acid 3-O-glucuronide	96063	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37	0	M+K	C15H16O10	3.800289419	15460.53592	19117.14649	17882.87506	18914.67723	16014.96875	17377.83805	20600.44564	9934.111199	7258.194148	12649.41626	27938.69734	8875.343733	20152.77966	16386.55805	25620.20666	26870.60895	24162.47207	30211.4388	14101.20032
0.66_297.1463m/z	297.1463015	0.660716667	pos	3-methyl-tridecanedioic acid	74907	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			37	0	M+K	C14H26O4	0.132196597	460.6530623	471.3425193	400.3596802	490.9886784	910.0506645	491.1175047	414.5661135	1047.565415	452.1092212	650.800386	354.0620443	366.5937045	0.000297236	358.7305772	0.000297236	0.000297236	413.5263085	607.7426158	0.000297236
0.70_241.0308m/z	241.0308092	0.695266667	pos	L-Cystine	17	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00491	37	0	M+H	C6H12N2O4S2	-1.31698826	76487.38502	85932.47908	63622.40413	60644.39997	85195.17058	74084.13287	76224.21947	51052.81545	71385.07574	107204.5678	69594.8791	68115.51652	99744.62467	89952.00789	71723.82466	94997.07142	81317.50472	68760.259	60444.55701
0.71_147.0478m/z	147.0478201	0.712816667	neg	3-Mercapto-3-methylbutyl formate	HMDB0036193	Organic acids and derivatives	Carboxylic acids and derivatives	Carboxylic acid derivatives			37	3.03	M-H	C6H12O2S	-4.755789766	81915.90047	86592.35107	83434.35481	92509.2298	88706.42527	91509.46016	99159.33436	72997.93806	79718.75775	102485.9501	103705.6133	82602.11783	82597.26634	86356.86223	96380.55566	91669.22553	97902.11918	90047.98777	92587.52786
0.71_773.1316m/z	773.1316377	0.712233333	pos	UDP-N-acetylmuramoyl-L-alanine	63631	Unclassified	Unclassified	Unclassified			37	0	M+Na	C23H36N4O20P2	3.471643213	52575.74466	42471.05435	47699.23141	56790.89935	52294.43141	58400.65971	49025.37492	117705.6095	74791.47496	58134.67987	26918.65453	72249.61552	43281.05105	40173.14676	32718.02855	39766.08981	38703.94195	23137.0505	56020.6267
0.75_278.0557m/z	278.0557134	0.746966667	neg	Cidofovir	HMDB0014513	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives		C06909	37	0	M-H	C8H14N3O6P	3.468851758	15204.7311	17119.65357	13200.29892	13448.29685	14186.41275	11111.42473	12837.08834	12433.70112	5315.588938	14999.20092	10234.6339	16953.49442	8339.762004	9863.422761	7763.158426	16330.73864	11430.64529	5285.271225	10017.7705
0.76_213.1847m/z	213.1846688	0.764	pos	"4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone"	HMDB0039805	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		37	0	M+H	C13H24O2	-1.120170851	2071.340595	2063.161002	1470.572601	1527.241455	1051.823444	1302.473103	1922.625042	4035.100266	3087.059229	2394.352547	2225.767446	2879.341577	2301.721527	3412.54895	2335.205606	1860.429246	2363.358462	1650.322085	1437.79933
0.76_361.1643m/z	361.1643106	0.764	pos	Quassinol	HMDB0037235	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		37	0	M+H	C20H24O6	-0.706261988	13075.83622	13620.31358	12139.79916	9867.558197	22531.81803	13988.71631	13199.88315	6092.615991	7564.870393	19256.32202	8372.099574	7244.373422	18162.97048	25965.43189	9583.330544	11514.89502	15821.21862	13587.76237	20689.70395
0.80_202.0711m/z	202.0711374	0.801	neg	a-N-Acetylglucosamine	5518	Unclassified	Unclassified	Unclassified			37	0	M-H2O-H	C8H15NO6	-4.336049048	1272.227779	1252.424187	1201.542864	1765.488779	790.4879348	1184.037697	238.9690407	2342.44179	2026.144489	759.9698377	493.7648923	3029.140851	823.3161658	349.5565659	1229.554782	1214.102815	1170.578501	1898.590638	1577.87249
0.80_249.0912m/z	249.0911568	0.801	neg	Threoninyl-Methionine	HMDB0029067	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37	1.7	M-H	C9H18N2O4S	-1.178890459	7265.626269	7866.434009	7017.146282	7874.465723	5377.97387	7635.026111	7006.582833	5343.862369	4373.181904	6799.009493	12512.27558	5556.148608	8627.738097	8811.905005	12772.79319	10511.46961	7464.165982	7060.884041	8728.695021
0.80_288.1010n	327.0673602	0.798133333	pos	"2,3-DIHYDROXY-4-METHOXY-4'-ETHOXYBENZOPHENONE"	43714	Unclassified	Unclassified	Unclassified			37	0	"M+Na, M+K"	C16H16O5	4.377512895	50298.28835	52708.54775	51099.62662	45102.03908	49972.95778	50450.79602	50758.22515	47573.28948	39084.789	55811.69706	31944.65106	51770.87991	50772.8713	53485.42908	73334.18824	46680.58292	50015.43584	37294.6268	43346.15483
0.82_307.0301m/z	307.0300609	0.819	neg	"2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxybutanedioic acid"	HMDB0127956	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			37	0	M-H2O-H	C10H14O12	-1.913539488	5676.505776	5171.398477	5741.972168	4135.574109	4572.126657	4353.272702	3766.184138	4194.982682	4679.33152	7703.026168	4728.968868	5208.305402	4883.729709	5413.658545	5213.345022	4471.736654	6379.15639	4072.094535	7896.309313
0.82_372.0699m/z	372.0698534	0.819	neg	N-Acetylmuramic acid 6-phosphate	63225	Unclassified	Unclassified	Unclassified			37	0	M-H	C11H20NO11P	-0.716368751	2261.516123	2497.284709	1885.562012	3289.76303	4024.681246	2942.110176	3254.97941	3799.465452	939.8959154	2354.472668	4155.486429	5125.904846	1314.486785	1287.170509	507.6047102	1832.130058	1329.717598	1103.120377	626.542722
0.95_247.0166m/z	247.0166136	0.94875	pos	"9,10-Phenanthroquinone"	65942	Unclassified	Unclassified	Unclassified			37	0	M+K	C14H8O2	4.931635795	3628.894616	2991.557701	2492.467332	2792.36448	3128.300318	3320.503889	3548.953217	2234.059421	2542.994849	2894.888062	2818.014485	2444.516906	2711.284837	2105.070899	2692.41293	2078.4937	3186.487079	2848.598262	3353.505214
0.95_358.9932m/z	358.993203	0.94875	pos	Phenthoate	70055	Unclassified	Unclassified	Unclassified			37	0	M+K	C12H17O4PS2	-1.69579261	18244.72081	17475.59749	18962.77762	21999.81306	17702.62855	20458.46587	16891.69876	13178.84157	9921.482776	13987.18058	13656.21086	29483.52303	20426.24578	15601.81768	18181.32772	15738.09925	21300.04155	22023.40991	27737.41715
0.96_271.1034m/z	271.1033922	0.958133333	neg	GlcNAcβ-Sp	3605	Unclassified	Unclassified	Unclassified			37	0	M-H2O-H	C10H18N4O6	-4.828805536	819.3849237	827.5036071	903.4748661	0.000297236	1796.709391	771.954534	403.7514218	42.4519588	290.5021482	1433.276952	0.000297236	0.000297236	2231.537638	1673.995014	1390.131807	185.2696435	905.8641935	286.250061	1782.380854
0.98_161.0252m/z	161.0251756	0.9796	neg	Umbelliferone	HMDB0029865	Phenylpropanoids and polyketides	Coumarins and derivatives	Hydroxycoumarins	***	C09315	37	0	M-H	C9H6O3	4.678125329	1595.302505	1354.928936	1552.874573	1450.619825	1392.076439	1792.222227	1565.821778	1082.195104	1246.093944	1700.763757	1543.142612	1360.634915	1682.647856	1677.531124	1700.767566	1735.057364	1657.555205	1599.866658	1858.769436
1.03_353.1557m/z	353.1557075	1.026666667	pos	6-Hydroxy-2-bornanone glucoside	HMDB0034558	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		37	7.29	M+Na	C16H26O7	-4.138232748	1723.550973	2309.565853	3022.336395	2202.042863	4046.949493	3175.419781	2559.617046	2736.133444	1693.815501	4001.879169	2985.112716	275.805483	2211.957222	2188.508203	2864.641494	2223.691291	3001.714412	1403.857367	2080.418662
1.06_312.1105m/z	312.1104964	1.062216667	pos	N-Acetyl desmethyl frovatriptan	HMDB0061158	Organoheterocyclic compounds	Indoles and derivatives	Carbazoles			37	0	M+K	C15H19N3O2	-1.422533099	33994.3307	34133.66891	32832.15172	34632.62073	28402.9199	28504.09753	29692.05396	64883.82544	70589.20054	25811.67674	29413.49826	37504.83297	29974.51417	27945.03325	33659.54111	33772.67597	26327.30284	24278.25476	26142.05021
1.08_385.1282m/z	385.1281715	1.081483333	neg	"3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone"	LMPK12120062	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C20H20O5	-3.248930225	4921.99377	8901.560769	7474.956815	6357.798934	8972.066064	9423.633829	6299.684135	4968.95938	4917.2677	8950.175803	5951.685622	5932.427029	10054.38118	9543.148933	9729.512389	6292.746381	10324.67457	7034.349677	11178.12704
1.10_109.0651m/z	109.0651014	1.0977	pos	Toluene-cis-dihydrodiol	66219	Unclassified	Unclassified	Unclassified			37	0	M+H-H2O	C7H10O2	2.459636507	15169.16866	13241.69653	13954.9796	15167.99505	14089.2852	13435.39528	14905.63679	15190.18024	15687.97695	15906.7376	17318.89889	16287.78934	14514.94297	14054.47505	13612.08095	14461.23354	14397.53282	13753.11278	13372.60769
1.26_237.0872m/z	237.0872392	1.259833333	neg	"2,6-Dihydroxy-N-methylmyosmine"	63888	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C10H12N2O2	-4.379680745	2112.934762	1803.948278	3001.377256	1723.26698	2969.961038	3745.123544	3381.780638	2072.551935	1050.409	2591.779888	2348.036737	1045.894174	2238.531263	2298.92431	1787.187595	1633.562636	1710.574903	1336.504757	2960.172665
1.28_305.0469m/z	305.0469141	1.278416667	neg	"3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone"	LMPK12130007	Unclassified	Unclassified	Unclassified			37	0	M-H	C18H10O5	4.466785943	40647.6153	49697.07376	53784.83057	52239.62145	53855.13359	61311.79275	62717.81772	32261.32371	35104.29646	62551.8742	51118.19906	22587.19744	47511.96773	43615.43436	52860.50503	48418.37168	51371.42422	48291.47403	54701.22396
1.28_571.1311m/z	571.1310588	1.278416667	neg	Quinol glucuronide	1827	Unclassified	Unclassified	Unclassified			37	0	2M-H	C12H14O8	1.049463935	39773.18582	44504.44841	49146.04382	47304.1175	64965.54721	60194.04919	69611.35647	20441.22211	27034.60204	67235.0506	51732.85491	10956.32637	49812.30974	42064.19548	50939.07919	45911.55271	44654.27019	38095.15513	50683.41121
1.30_215.0642m/z	215.0641579	1.297066667	neg	"4,4'-Thiodianiline"	73015	Unclassified	Unclassified	Unclassified			37	0	M-H	C12H12N2S	-3.170717233	60263.33594	56247.16348	52639.26127	59757.78354	51021.35777	47337.88867	46579.77725	49438.92052	44982.60827	46267.60948	65292.51103	59428.73918	51530.9916	49255.66849	54340.8149	63689.50001	55401.45249	69640.08214	51129.80378
1.34_204.9792m/z	204.9792329	1.335283333	pos	3-Sulfomuconate	66487	Unclassified	Unclassified	Unclassified			37	0	M+H-H2O	C6H6O7S	-4.06491511	13490.36912	13164.71012	14747.14321	4966.921942	15040.80167	5001.357495	6302.319482	35652.41609	29759.23095	4568.134245	9487.986577	15317.01279	12285.38102	15771.74246	13403.13958	11250.83671	11306.76532	7135.328657	13547.95906
1.34_302.0946m/z	302.0946444	1.335283333	pos	Girinimbine	86827	Organoheterocyclic compounds	Indoles and derivatives	Carbazoles			37	0	M+K	C18H17NO	1.794448845	1395.37311	2010.480493	2065.374786	874.9236224	1689.257716	443.1810859	1027.789322	5064.706126	4229.909354	347.999068	1761.750783	1574.87251	1196.247904	2301.541028	1670.505995	2387.817929	2141.601999	1384.356552	2584.359607
1.36_252.0545m/z	252.0544579	1.356866667	neg	2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid	HMDB0031200	Organic acids and derivatives	Organic sulfonic acids and derivatives	Organosulfonic acids and derivatives			37	0	M+FA-H	C7H13NO4S	-1.322762867	150.0444675	204.2300736	182.9888268	126.8968047	258.3645855	253.6849513	81.20060236	720.5641151	348.5760331	214.9237675	102.5715472	43.57155581	172.4227448	48.29768784	152.4710151	0.000297236	79.72134229	41.38696391	117.8498342
1.36_271.0371m/z	271.0371381	1.356866667	neg	"1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone"	93302	Organoheterocyclic compounds	Indoles and derivatives	Indoles			37	0	M-H2O-H	C14H14N2OS2	0.772650626	231.4077736	239.5612338	286.7236429	115.0631867	265.6220154	248.794418	188.5162996	652.8914183	341.7123287	227.6119705	135.1269839	582.6350855	467.2812592	185.8616739	121.9718204	113.3965809	282.2925476	143.6323414	222.7975564
1.40_237.0908m/z	237.0907622	1.3988	neg	Pterostilbene	LMPK13090015	Lipids and lipid-like molecules	Polyketides	Aromatic polyketides	***	C10287	37	0	M-H2O-H	C16H16O3	-5.236098486	9202.501778	10015.43866	9722.665956	10429.83198	13584.65471	10893.79405	11242.17231	10078.24092	7719.096849	12701.83241	8718.678605	9205.71828	9951.723822	10108.18165	8749.307785	8501.644346	9255.273129	8641.31533	11687.87796
1.48_167.0338m/z	167.0338204	1.48375	neg	3-Hydroxybenzaldehyde	65898	Unclassified	Unclassified	Unclassified	***		37	0	M+FA-H	C7H6O2	-9.521137084	1190.500571	1127.336524	1275.883764	1177.911755	1168.703434	1061.277853	1406.929913	1135.359162	1240.317166	1183.367026	1285.444489	1080.740161	1383.956618	1280.550385	1293.228729	920.4657015	1162.865511	1014.299783	1249.507797
1.53_287.0759m/z	287.0759181	1.533166667	pos	Pyrocatechol glucuronide	1826	Unclassified	Unclassified	Unclassified			37	0	M+H	C12H14O8	-0.788927319	1920.611375	1496.810866	1658.56179	2324.552208	1371.904709	1532.546977	2634.094803	1297.084994	1710.69107	1908.908674	1321.119919	1904.914312	1905.090528	1287.036927	2134.790478	1339.07515	1349.96004	1297.97641	2338.707225
1.57_228.0306m/z	228.0306454	1.5697	neg	2-{[hydroxy(1-oxo-1H-isochromen-3-yl)methylidene]amino}acetic acid	HMDB0128628	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37	0	M-H2O-H	C12H9NO5	1.67647846	2498.52661	2350.253826	2262.671399	1600.324703	2090.990788	2035.71766	2118.961656	2400.423625	3092.21039	2228.037321	1962.325953	7238.413608	2370.587226	2022.085204	1729.079527	1952.699277	2056.554747	2103.01349	1826.701015
1.82_215.1394m/z	215.139394	1.822516667	neg	3-Acrylamidopropyl trimethylammonium	34500	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C9H18N2O	-4.24377735	376.2582204	349.654979	383.8805699	379.1675076	577.481899	421.4101044	600.0644564	261.2158953	74.5203579	552.1103629	245.4830181	80.95833054	530.2757105	586.3705928	442.030152	531.7465087	554.2567427	283.1048507	529.8496541
1.95_388.0474m/z	388.0474056	1.949816667	neg	O-Desmethyltolrestat	2886	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C15H12F3NO3S	0.5941822	978.6124696	1161.561474	849.3566941	66.29515996	183.2533607	74.15609755	49.04105963	11895.33405	2306.05259	54.41260491	0.000297236	230.1433945	33.68030681	0.000297236	18.49248398	105.7933327	0.000297236	74.99514989	131.9038558
10.22_197.0959m/z	197.0958511	10.2175	pos	(R)C(R)S-S-Propylcysteine sulfoxide	86270	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37	0	M+NH4	C6H13NO3S	2.2969911	1903.281534	1540.387747	1408.69763	1573.383195	1577.37541	1435.459311	1522.884839	1559.862778	1821.934267	1342.687214	1897.513607	1730.047307	1608.29827	1887.961726	1641.054819	1741.974887	1402.559354	1234.916071	1255.845259
10.30_684.2607m/z	684.260699	10.29658333	neg	GalNAcβ1-4[Fucα1-3]GlcNAcβ-Sp	3634	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C24H41N5O15	4.036718272	4757.826501	4554.32573	4885.84369	6494.141017	5498.416903	6143.987448	5651.519134	4997.445485	3268.007216	5970.79656	6262.151642	4392.096639	6731.878006	7261.666316	6680.277903	6518.176789	7273.103167	7194.231294	7947.829203
10.64_578.2243m/z	578.2243248	10.63623333	neg	Nalbuphine-3-glucuronide	1402	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C27H35NO10	0.048114484	1311.322274	1836.459359	1188.681229	1706.556411	1680.022774	2151.818263	2565.903518	1149.811545	1554.549369	1662.182673	1033.995454	1516.305432	2798.628504	2452.288454	1229.569231	1770.081622	2042.406125	1547.645824	2729.229437
10.69_318.1609m/z	318.1608611	10.69353333	pos	Tubastatin A	64761	Unclassified	Unclassified	Unclassified			37	0	M+H-H2O	C20H21N3O2	2.304722273	16710.41746	15858.47625	20021.82684	17822.08739	20102.0118	17876.76076	18347.77834	14283.88997	18656.37657	16759.67332	17618.08329	18105.61804	21980.00978	19690.13287	20330.24238	18185.63714	20158.97306	18683.0774	17828.43417
10.74_563.0314m/z	563.0313721	10.74271667	neg	"2-Naphthaleneacetic acid, 6-(sulfooxy)-"	1381	Unclassified	Unclassified	Unclassified			37	0	2M-H	C12H10O6S	-1.718873516	24929.33651	23126.18325	24765.13918	25160.43596	23704.3724	21798.28476	24344.37222	25556.02217	26492.66447	24240.96204	26364.47493	21897.43367	26386.94059	24899.70775	24805.299	24381.15322	25232.2134	24971.49084	23929.31275
10.86_267.1207m/z	267.1206766	10.8603	pos	"Polyethylene, oxidized"	88485	Organic acids and derivatives	Keto acids and derivatives	Medium-chain keto acids and derivatives	*		37	0	M+Na	C12H20O5	1.565562856	1138.69977	1472.130643	1477.569309	1496.244393	2066.092301	1554.387887	1557.077151	1236.369314	1325.6627	825.7497929	1833.626969	709.2092908	1812.47055	1970.370916	1694.869057	1100.926944	1342.344355	1018.904443	1381.2548
10.87_725.1574m/z	725.1574429	10.87058333	neg	Palargonidin 3-(6''-malonylsophoroside)	46801	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C30H32O18	0.552604958	6454.314215	5715.389149	5658.622326	6451.841023	5448.197895	5821.494905	5235.444809	5473.46575	7141.745863	6217.085478	7004.699009	4992.687799	5204.600338	5937.74898	4050.755428	5461.058528	4893.734695	6485.543649	5883.751306
10.91_518.2499m/z	518.2499355	10.9122	neg	"PS(18:3(9Z,12Z,15Z)/0:0)"	LMGP03050029	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			37	3.73	M-H	C24H42NO9P	-4.827222529	6473.744157	6466.665482	6935.221844	8605.816272	9015.249494	8975.865058	6987.559832	3999.66015	5196.67077	9533.529556	8753.174756	5195.702823	8094.374929	5255.7989	6740.867311	7314.075493	9215.589497	8881.941884	10490.68576
12.14_247.1318m/z	247.1318281	12.13768333	pos	Abscisic acid	HMDB0036093	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	***		37	0	M+H-H2O	C15H20O4	-3.947938606	470.5216096	322.9715144	324.9121897	321.0702746	223.4992061	161.1602887	327.142187	1182.84876	1306.455102	431.5706173	279.0097772	508.7947607	196.5212527	337.9185881	424.2289694	90.76663933	98.26292099	153.7639192	85.24236835
12.23_285.2433m/z	285.243333	12.22801667	neg	7-hexadecanal	96260	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C16H32O	-0.771986498	703.943903	631.2706613	554.7077637	566.8149736	643.7427747	721.023911	685.3267564	482.412838	414.6404358	650.0331396	691.7813676	574.8796183	542.299725	783.4071326	824.4957136	994.4293959	748.8884498	631.8408574	819.4779596
12.98_453.1789m/z	453.1789171	12.98335	neg	Doxepin N-oxide glucuronide	HMDB0061139	Organoheterocyclic compounds	Benzoxepines	Dibenzoxepines			37	0	M-H2O-H	C25H30NO8+	-0.81261649	823.8810096	746.8535412	810.5263586	707.9641971	809.216423	740.0686522	1289.948023	898.2459187	1600.462368	501.7959155	960.0478098	1291.038167	1096.966053	1004.934617	1174.977901	753.7742741	1021.355606	1005.366088	1148.576314
13.17_181.0141m/z	181.0140873	13.16601667	pos	bismuth subgallate	3994	Unclassified	Unclassified	Unclassified			37	0	M+H-H2O	C8H6O6	4.734997996	471708.9233	510600.8542	508455.554	519025.9647	486481.0915	491198.9344	492659.3896	491063.3626	484128.883	488285.9493	490446.8577	529088.5867	525909.3478	521625.2417	540948.7802	556655.9553	535655.7218	544620.2068	508062.903
13.27_583.0376m/z	583.0375731	13.27386667	neg	RITA	64642	Unclassified	Unclassified	Unclassified			37	0	2M-H	C14H12O3S2	-1.237914907	6050.219762	5300.991294	6428.249827	6609.433898	4638.442066	5010.967194	5325.375895	5482.383583	5941.234193	5108.955536	5981.413936	5784.921002	5508.58489	5831.474265	3137.414954	8433.181261	6508.694844	5907.943291	5373.899065
15.76_189.0906m/z	189.0906364	15.75651667	pos	Benzyl 2-methyl-3-oxobutanoate	66098	Unclassified	Unclassified	Unclassified			37	0	M+H-H2O	C12H14O3	-1.793863992	2889.073654	2977.452776	2927.214404	2313.626003	2263.897252	3082.459421	2783.607376	2587.169406	3059.395989	3793.924823	2967.176962	2906.214484	3256.045901	2528.98217	3498.635741	3806.509916	3190.099237	2705.919596	3027.044247
15.87_190.1083m/z	190.1082907	15.87186667	pos	Alexine	68133	Unclassified	Unclassified	Unclassified			37	0	M+H	C8H15NO4	4.7928803	2273.923189	2172.162296	2219.430561	2623.649881	1908.318572	2045.513834	1783.052431	1614.02545	1679.411556	1913.906606	2219.125462	2420.666597	1983.591804	2402.305102	2339.584583	2348.383115	2214.796366	2236.575912	1674.304856
2.05_300.0463m/z	300.046276	2.054766667	neg	Nocodazole	69657	Unclassified	Unclassified	Unclassified			37	0	M-H	C14H11N3O3S	4.783856615	202451.885	223796.9439	220576.2315	232004.7097	221583.6515	211846.1268	227989.014	206964.5512	201101.1167	222940.1752	228739.08	197606.6412	217680.0017	222070.7628	217382.4955	219990.7599	227899.4081	229774.6286	238269.9076
2.67_323.0835m/z	323.0834969	2.669566667	neg	Triphenylphosphine oxide	64889	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C18H15OP	-2.724531592	1671.612969	1388.476805	1636.131299	548.6971959	2796.996824	1019.77695	2090.256921	118.8927619	433.9117422	2527.122795	1164.317676	269.6598027	2071.0332	2661.263217	2134.752931	1877.300925	1859.869308	850.3423644	1531.365047
2.73_231.1344m/z	231.1344234	2.7334	neg	Leucyl-Threonine	85841	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37	0	M-H	C10H20N2O4	-2.615891797	285.7366257	217.7554536	303.144482	166.9411953	494.5460394	347.9834956	470.5690853	172.2235358	123.4905245	479.7923535	142.7614221	134.8542092	358.5144492	308.4624236	251.2893143	212.6615036	321.7166637	132.5459433	326.3787936
3.24_320.1238m/z	320.1238004	3.2363	pos	Tryptophyl-Aspartate	HMDB0029079	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37	0	M+H	C15H17N3O5	-0.929604004	5415.080386	5372.437299	5433.547109	3325.614769	7343.289935	7133.799349	7078.130919	3392.983639	2729.688855	6695.689382	6410.420898	2175.077544	5926.407899	5349.590905	5457.845376	4748.600095	4368.693729	3592.338891	5779.146667
3.39_229.1544m/z	229.1544462	3.393916667	pos	Orciprenaline	HMDB0014954	Benzenoids	Phenols	Benzenediols		C07144	37	0	M+NH4	C11H17NO3	-1.055160627	20240.52974	19744.28061	19233.21658	11604.72826	25662.97072	17472.06531	20525.15222	8238.751145	9700.34798	27269.16869	20548.90114	9003.441908	28252.62599	31647.46923	26500.19041	16892.77	23002.74524	12750.82778	22294.21127
3.44_203.1429m/z	203.1428659	3.435833333	pos	2-Phenylethyl hexanoate	92541	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37	0	M+H-H2O	C14H20O2	-0.798049652	2944.752365	2412.219895	2430.109059	2419.480114	2271.674412	2308.381419	2510.74719	2148.445338	1889.634915	2603.872513	2457.450566	2360.398812	2684.05596	2260.795449	2011.868209	2201.536058	2107.58352	2309.850096	2845.544077
3.64_335.1572m/z	335.1572103	3.640283333	neg	N2-Fructopyranosylarginine	HMDB0041541	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			37	0	M-H	C12H24N4O7	-0.036884495	193.9157962	198.1570784	132.6268874	123.1315966	79.35644108	116.2917719	237.6474175	126.8777158	113.1895903	91.50529483	205.5934111	86.83331861	313.6622407	133.0195408	102.3147943	135.8196794	153.7297933	126.7360075	80.44839948
3.93_703.3604m/z	703.3604139	3.930916667	pos	3-O-trans-Feruloyleuscaphic acid	87959	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	*		37	0	M+K	C40H56O8	-0.395798784	8294.354985	5685.830382	5212.933012	3572.954021	8355.64953	3934.476537	6481.023064	6987.903731	5686.805478	6895.494585	6070.773081	6351.653217	5112.303879	9363.011477	7672.784744	5717.210884	7894.144303	5820.809424	6012.961817
4.00_495.0896m/z	495.0895898	3.9952	pos	CDP-glycerol	HMDB0059599	Lipids and lipid-like molecules	Glycerophospholipids	CDP-glycerols	**	C00513	37	2.52	M+NH4	C12H21N3O13P2	1.68381779	18758.79079	15723.02271	18443.66261	17605.92381	15393.01141	14058.20304	29145.34168	24074.9865	23404.05834	17455.7246	27181.7529	22358.75484	24128.31049	20744.51029	17191.04392	15132.2217	20485.99381	13055.07174	17378.55203
4.06_513.0290m/z	513.0290188	4.0574	pos	Dihydroneopterin triphosphate	6036	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	**	C04895	37	0	M+NH4	C9H16N5O13P3	-1.1156802	458.0870409	410.5310492	393.6638031	941.3548232	474.5939341	582.2636913	422.9115538	2409.625078	407.0806535	1124.008174	865.8896822	0.000297236	0.000297236	335.1609629	0.000297236	381.143189	534.2921346	957.75197	1082.199007
4.20_711.2844m/z	711.2843826	4.204283333	neg	xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside	87871	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		37	0	2M-H	C17H24O8	-3.617101524	1283.589156	1303.890339	1415.940408	1173.935843	740.4376209	702.671805	1318.540984	199.8071856	671.2840514	824.1117834	1759.404863	3733.223462	1673.408398	1231.820044	578.2163243	557.3405938	1236.843519	1251.730996	1525.81826
4.42_203.0917m/z	203.0916815	4.4158	neg	"Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate"	66216	Unclassified	Unclassified	Unclassified			37	0	M-H	C9H16O5	-3.996679166	413.1513969	389.9028671	390.0799808	297.4981107	367.9236708	374.3865749	429.2379716	406.9766989	322.2159161	322.1398951	414.9570695	292.9774629	365.2043909	336.1347282	410.3509685	476.791904	379.4264184	263.1408948	375.8570189
4.80_226.1434m/z	226.1434316	4.799383333	pos	"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo-"	2291	Unclassified	Unclassified	Unclassified			37	0	M+NH4	C12H16O3	-1.625795642	832.95988	884.4843405	755.67236	726.204985	992.7846567	669.6111537	805.7040337	841.3333685	940.4103662	688.8440513	476.742772	773.8131662	978.7250352	849.135432	847.7069933	518.7193482	877.1113248	782.6931445	1066.833436
4.93_270.9911m/z	270.991061	4.9336	neg	(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate	71141	Unclassified	Unclassified	Unclassified			37	0	M-H	C10H8O7S	-2.706372516	589.8543848	389.8389189	399.3703461	728.1256316	615.7400686	371.013038	703.0751711	627.9445053	689.9730933	741.7669815	610.6405465	972.3540769	801.1218329	754.2655447	1062.933878	844.4010664	557.9182601	717.5894227	824.2184297
5.02_215.0812m/z	215.0811671	5.02275	pos	Oxabetrinil	72639	Unclassified	Unclassified	Unclassified			37	0	M+H-H2O	C12H12N2O3	-1.451788142	1355.441238	1295.958467	1192.040177	1354.551538	1457.835873	1459.475986	1481.214445	1517.00227	1462.495884	1490.187279	1464.708206	1096.913262	1290.038562	1332.638604	1292.811149	1441.297762	1405.048482	1583.726854	1336.217204
5.10_284.1114m/z	284.1114022	5.103283333	neg	HNHA	44845	Unclassified	Unclassified	Unclassified			37	0	M-H2O-H	C17H21NO2S	-0.186588993	426.71816	429.4386173	429.0151473	237.9596784	691.8219325	374.1054268	169.1600126	302.610292	666.4837363	334.8831282	432.184302	202.0712928	351.4641137	489.3212882	548.8398474	497.6840368	610.2080103	335.8477755	439.8507826
5.12_199.1323m/z	199.1322589	5.123166667	pos	Pyridostigmine	HMDB0014685	Organoheterocyclic compounds	Pyridines and derivatives	Methylpyridines		C07410	37	0	M+NH4	C9H13N2O2+	4.034783631	1671.514788	1889.981942	1670.446995	1731.428301	1340.463943	1599.603697	1730.190053	1619.868304	1579.923493	1533.410391	1728.817924	1710.815357	1588.776866	1682.212901	1758.659957	1789.765977	2047.172783	1725.401327	1660.669092
5.56_216.1056m/z	216.1055724	5.560616667	neg	"Valero-1,5-lactam"	HMDB0061932	Organoheterocyclic compounds	Piperidines	Piperidinones			37	0	M+FA-H	C8H17NOSi	-3.337981083	713.5298519	628.0914725	709.4757379	320.2125963	610.0050648	440.5473954	788.5732775	763.1483866	1167.496735	548.0594039	363.3830189	551.807618	683.6410582	598.6074801	432.5437479	594.0479452	636.2881942	319.916279	460.7747742
5.74_201.1845m/z	201.1845158	5.740583333	pos	Hexyl hexanoate	HMDB0033619	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		37	0	M+H	C12H24O2	-1.951458273	1148.208652	967.5425163	905.3919773	1040.227612	1040.617157	1159.901798	1079.697653	957.2125223	843.6235302	937.3792446	888.7445342	1128.044481	943.5353698	1172.065047	1079.00108	961.7513489	888.4806962	912.2736953	956.364998
5.92_183.1377m/z	183.1376803	5.919583333	pos	Methyl geranate	HMDB0059816	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		37	0	M+H	C11H18O2	-1.515133406	3749.115711	3766.034646	3602.456329	3782.261446	3483.904918	3630.142635	4249.636863	4763.696238	5165.228593	3738.701329	3833.946745	3941.434019	3764.129525	3756.556506	3821.742052	4200.586825	3909.329912	3717.001768	3234.747994
6.22_213.1593m/z	213.1592845	6.2211	pos	"1,4'-Bipiperidine-1'-carboxylic acid"	71375	Organoheterocyclic compounds	Piperidines	Piperidinecarboxylic acids and derivatives		C16836	37	0	M+H	C11H20N2O2	-2.214459845	1009.14514	737.6969084	747.804238	1006.800295	947.0010851	988.7778159	985.0707529	912.1669526	899.7403457	999.2974909	923.3766833	832.2249092	867.3537913	746.1120846	1086.193521	837.5366549	877.0282412	991.8768994	946.922815
7.05_340.1563m/z	340.1562889	7.050016667	neg	hydroxydoxepin M2	2466	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C19H21NO2	2.904020378	824.4222379	584.1634597	777.8498616	595.9903431	189.3447902	304.4339867	846.0069754	1564.885822	969.6143432	79.06005213	731.6999026	705.8069456	190.3309778	557.6379765	565.9701103	485.4158294	830.8246405	528.8506367	240.9498856
7.47_448.1772m/z	448.1772255	7.472466667	pos	(E)-Squamosamide	HMDB0041088	Phenylpropanoids and polyketides	Stilbenes	Unclassified			37	3.2	M+H-H2O	C26H27NO7	3.786885879	1228.031485	964.3821254	1200.987587	1446.666988	796.7337819	1942.21556	561.7508778	1606.272783	719.8669142	896.9304507	911.3333839	590.9997382	3223.954199	2020.335148	2066.031667	982.5490931	1275.721776	1040.277672	2023.454982
8.34_226.1442m/z	226.1442466	8.344433333	neg	2-Butyl-5-methyl-4-propyloxazole	92700	Organoheterocyclic compounds	Azoles	Oxazoles			37	0	M+FA-H	C11H19NO	-3.425238949	330.4042153	380.0865188	353.8252206	212.9803697	326.427371	353.498734	195.0786321	822.7914667	860.9588579	250.6920218	451.9593149	395.9231262	550.9106516	514.6635752	392.5420079	418.2933987	360.350296	253.3863403	439.6630924
8.61_515.3046m/z	515.3046476	8.609233333	neg	Integerrenine	68084	Unclassified	Unclassified	Unclassified			37	0	M-H2O-H	C31H42N4O4	3.523785223	15723.73886	16369.58721	15844.69635	14741.38405	35761.91326	36488.28241	12349.7577	1278.461866	10067.17997	29322.52421	13083.37755	3978.059418	11774.69355	11052.97088	24194.81962	14814.56525	18615.00735	21387.37218	11460.94596
8.73_200.2370m/z	200.2369815	8.726966667	pos	4Z-Tridecene	LMFA11000081	Lipids and lipid-like molecules	Fatty Acyls	Hydrocarbons			37	0	M+NH4	C13H26	-1.618395187	1239.749965	1209.962893	1265.371294	1020.392195	1911.02169	1023.054233	1058.421522	772.3582198	905.6134662	938.0056901	975.1369408	1171.62726	1003.451571	679.831301	906.3875937	911.7032892	562.1942396	2878.892316	1102.253509
9.59_357.2284m/z	357.2284247	9.58745	neg	13-L-Hydroperoxylinoleic acid	HMDB0003871	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	**	C04717	37	0	M+FA-H	C18H32O4	0.520037356	1276.598993	1229.793356	1073.222362	1369.48664	1129.025732	1196.858161	1028.532834	1331.407778	1525.081129	1358.051304	1280.931035	1334.064512	1294.36247	1181.502711	1449.096548	1283.672378	1548.299717	1050.829325	1189.500691
9.81_492.2345m/z	492.2345492	9.812183333	neg	Boc-Pro-Phe(NMe)-Gly-OMe	65473	Unclassified	Unclassified	Unclassified			37	0	M+FA-H	C23H33N3O6	-1.317944008	946.2996255	742.4123312	1094.815353	1374.590589	2553.950891	1218.103068	1053.235051	390.3233155	1305.410617	815.9227418	659.2052418	1734.65959	1988.173889	1427.511412	731.9528847	739.6623602	965.549302	717.0946977	1186.072655
9.87_542.2525m/z	542.2524887	9.874866667	neg	"N1,N10-Diferuloylspermidine"	89298	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			37	0	M+FA-H	C27H35N3O6	3.41866629	8209.146758	7954.642167	8287.775783	10386.68904	13305.98485	10799.83321	10887.87477	2220.184166	3987.182387	9253.797001	9146.168226	3750.012359	15032.56031	13002.96196	9261.649506	7448.959037	8005.506112	7544.932625	19088.89619
9.94_463.0032m/z	463.0032189	9.935916667	neg	Vanillin 4-sulfate	HMDB0041789	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			37	0	2M-H	C8H8O6S	4.692585296	4404.231	4285.330501	4680.515687	4359.3794	4163.993784	4985.861433	6203.960968	4403.078277	4685.649052	4549.911642	5188.972751	4364.885077	4543.435561	4156.029884	4913.733885	4058.379984	3773.465628	4205.868755	4744.713269
0.10_164.1048n	187.0962382	0.10495	pos	Poloxalene	43312	Unclassified	Unclassified	Unclassified			36.9	0	"M+H-H2O, M+Na"	C7H16O4	-0.549144075	16659.22023	12829.62301	12371.95894	12349.84655	12332.3371	13551.14916	14303.08538	14438.48285	13504.82222	15560.59969	15295.84077	12634.40575	13020.68437	12802.82906	13559.8767	13372.49173	13139.44136	13924.92891	12126.91432
0.18_257.2258m/z	257.2258458	0.176983333	pos	3-Oxosteroid	65669	Unclassified	Unclassified	Unclassified			36.9	0	M+H-H2O	C19H30O	-1.938218586	2738.401899	3651.396479	3550.141173	3024.519854	3164.072854	4073.126894	3556.283998	3940.749015	4116.047915	4199.82351	3143.581221	3154.796681	3808.776773	3299.505877	3358.727207	3229.711889	3291.941378	3481.497461	3106.694139
0.50_239.0591m/z	239.0590973	0.499683333	neg	AG-370	45281	Unclassified	Unclassified	Unclassified			36.9	0	M-H2O-H	C15H8N5	-3.99808597	45661.21284	45347.83878	44221.73833	43356.85787	43886.52026	40245.05749	43822.84108	43476.52627	42067.47736	46711.48402	44051.13033	41521.51543	49205.59833	47548.56924	47188.59499	45858.62201	41001.11478	44357.81708	41186.26698
0.59_143.0485m/z	143.0484858	0.589883333	pos	6-Methylcoumarin	HMDB0032394	Phenylpropanoids and polyketides	Coumarins and derivatives	Unclassified	***		36.9	0	M+H-H2O	C10H8O2	-4.095437436	558.4438206	664.9825825	572.1599385	525.9921705	374.4682732	637.7362753	653.5235354	520.5805091	558.5100362	581.5714094	516.0056008	0.000297236	939.3870139	500.429739	287.1927945	489.6934017	539.9506838	584.5454236	548.1845767
0.60_222.9842m/z	222.9842165	0.6019	neg	2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate	63427	Unclassified	Unclassified	Unclassified			36.9	0	M-H2O-H	C6H11O6PS	2.735267709	1582.181032	1299.093951	1215.628586	1072.355412	1123.97042	859.6023331	1515.57465	2017.22907	2141.35063	1478.737861	1331.682167	1461.841627	1377.533364	1394.822291	1370.602537	2160.55802	1002.59903	1336.085464	1125.562734
0.62_284.1228m/z	284.1227749	0.623133333	neg	Leucomethylene blue (Reduced Methylene Blue)	1223	Unclassified	Unclassified	Unclassified			36.9	0	M-H	C16H19N3S	0.290243345	3149.200925	4293.732889	3833.631775	6764.49635	7851.250289	4856.939793	4130.057779	4836.411309	1361.708918	5243.969717	5585.692935	3561.067834	1897.693518	2857.81884	4194.284959	2512.105305	4189.680551	3206.249939	2945.738306
0.63_190.0435m/z	190.0434627	0.62635	pos	Benzthiazuron	72806	Unclassified	Unclassified	Unclassified			36.9	0	M+H-H2O	C9H9N3OS	0.569920845	4614.850972	3680.974275	3999.878533	4414.092524	3892.429069	2970.30648	4031.384981	3261.576303	3541.660037	3467.828993	3726.591518	6397.856488	5392.924264	4626.277631	3626.670293	3378.805321	3984.541622	4056.636076	3984.753105
0.64_417.0480m/z	417.0480224	0.641183333	neg	Dothistromin	68254	Unclassified	Unclassified	Unclassified			36.9	0	M+FA-H	C18H12O9	4.535934054	31529.31123	30635.80384	30408.27025	37242.80403	26990.10288	31817.50624	36123.02951	17506.17111	16831.22469	26779.37037	42468.62138	17293.96937	34822.90605	34444.76759	35373.77487	40279.3157	35666.25746	48432.3636	27988.11096
0.64_428.0595m/z	428.0595382	0.643516667	pos	"3,3'-Biflaviolin"	72005	Unclassified	Unclassified	Unclassified			36.9	0	M+NH4	C20H10O10	-4.106765578	13023.34499	13551.3611	9005.609463	16815.15593	14524.99354	12469.1076	12635.55409	11088.82634	15344.50575	13338.65958	9666.537197	7087.109284	13975.51947	12843.65525	5147.616206	13967.0056	13107.62024	13291.55848	15658.22741
0.71_364.0921m/z	364.0920503	0.712816667	neg	Ibandronate	85416	Organic acids and derivatives	Organic phosphonic acids and derivatives	Bisphosphonates			36.9	0	M+FA-H	C9H23NO7P2	-3.534614875	13673.4254	10386.74879	8082.415416	10168.35439	10935.63904	7944.840417	11950.33224	14782.66688	10305.33608	10159.30454	7541.787506	12193.08332	10619.67772	8716.6899	6647.842583	9932.838749	10073.31582	7231.282993	9963.061983
0.71_383.0783m/z	383.0782849	0.712233333	pos	Dolichyl diphosphate	HMDB0001513	Lipids and lipid-like molecules	Prenol lipids	Polyprenols	**	C00621	36.9	0	M+K	C12H26O7P2	-0.725249465	12789.60359	17440.3705	15231.22025	18920.67474	14601.49586	13740.13578	11762.95946	25580.8539	14581.96288	13604.58449	17239.82333	14417.5208	3921.612855	18003.78275	11314.63334	12536.83288	14398.19196	13617.58883	8492.31355
0.71_407.0796m/z	407.0795586	0.712816667	neg	"{3-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenyl]ethenyl]-2,6-dihydroxyphenyl}oxidanesulfonic acid"	HMDB0125570	Phenylpropanoids and polyketides	Stilbenes	Unclassified			36.9	0.23	M-H	C19H20O8S	-2.581639529	75015.14256	61816.19383	58706.10423	43040.15509	95702.23461	53398.23493	109641.0849	61038.19267	61880.43062	137151.6838	70724.10015	46237.56791	64404.78051	97582.37135	54993.28945	62379.60954	64138.43929	26938.25466	44078.48531
0.73_302.1343m/z	302.1342769	0.729216667	pos	Axisothiocyanate 3	71497	Unclassified	Unclassified	Unclassified			36.9	0	M+K	C16H25NS	1.32241451	85749.47285	95001.70854	93943.54991	108238.8312	110333.796	49233.2695	90986.29497	138329.3071	89231.07531	60178.20343	93109.1396	107963.3	86695.45063	89903.1782	90333.41481	93667.34014	86287.49062	101486.5016	97662.7746
0.75_232.0522n	277.0501885	0.746966667	neg	"Pyrene-1,6-dione"	72101	Unclassified	Unclassified	Unclassified			36.9	0	"M-H, M+FA-H"	C16H8O2	-1.148168946	18790.38929	17763.62992	14649.34485	19520.63939	12684.96212	14950.98469	16706.49429	23139.53242	17245.75934	15015.33238	16772.4032	20343.77229	14417.33347	18282.32682	15229.79977	19500.23416	17835.474	22202.65548	15413.3609
0.75_367.1355m/z	367.1355195	0.746966667	neg	Avenic acid A	HMDB0030416	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.9	0	M+FA-H	C12H22N2O8	-0.928237641	9667.920488	9146.52649	8437.037863	7493.69619	6741.919503	8181.949037	8710.603121	5975.485027	7211.715433	9692.324476	9351.073097	9657.016028	9181.523202	10504.8848	11041.84927	8975.971235	9412.706243	7148.491494	13929.25323
0.75_783.2444m/z	783.2443574	0.746966667	neg	Dehydrorotenone	LMPK12060062	Lipids and lipid-like molecules	Polyketides	Flavonoids			36.9	0	2M-H	C23H20O6	-0.437164385	15916.63763	17449.32476	22217.94739	21983.92701	16199.20276	11957.8036	21990.8025	15740.20236	11807.29917	16556.08756	28965.98312	36305.60982	22793.58158	21105.40593	18466.44764	13125.36895	11526.17785	20660.47516	23022.82602
0.80_406.1814m/z	406.1814329	0.798133333	pos	S-Adenosylhomocysteine-d4	96539	Unclassified	Unclassified	Unclassified			36.9	0	M+NH4	C14H16D4N6O5S	2.348584393	37937.53952	43577.60432	41688.53464	59664.223	25804.06711	36234.68537	48963.47287	20123.63531	34307.94513	42478.42143	50279.54906	42601.04054	55835.25051	53470.59885	43359.04255	50532.57222	43924.73297	46433.68692	55099.03512
0.82_188.0918m/z	188.0918206	0.819	neg	N-Ethylglycocyamine	65849	Unclassified	Unclassified	Unclassified			36.9	0	M-H2O-H	C8H17NO5	-4.880879805	896.5264897	792.0680688	760.2598509	1204.118735	1255.945451	1460.112004	581.8760119	1119.72937	947.6732628	883.8661703	729.2498347	1144.869314	776.5069403	616.4501797	940.8070182	932.8629526	641.6826924	1134.857098	1018.617114
0.82_313.0517m/z	313.0517285	0.816033333	pos	{[1-(4-methoxyphenyl)pentan-3-yl]oxy}sulfonic acid	HMDB0133010	Benzenoids	Phenol ethers	Anisoles			36.9	0	M+K	C12H18O5S	3.924802603	25940.80913	25169.92785	24693.98855	24478.17894	23868.82915	33554.89616	22041.28321	22667.9436	20075.46054	39147.68974	18124.76701	15939.87685	26602.27509	28275.93085	32788.9334	22614.0505	26529.99737	22519.03018	31632.6035
0.85_327.0312m/z	327.0312019	0.850933333	pos	{3-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid	HMDB0135448	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones			36.9	3.33	M+Na	C15H12O5S	4.725629325	18613.02891	14726.35666	14004.8592	24338.5391	9954.20224	20950.84174	7389.23021	20617.51782	18717.24515	12208.25812	12123.00044	22892.75928	13579.0801	9378.046557	16009.74229	12424.66433	14925.91075	19975.33488	22650.03575
1.01_117.0548m/z	117.0548	1.006716667	pos	Deoxyribose	HMDB0003224	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C01801	36.9	0	M+H-H2O	C5H10O4	1.338457196	2403.300958	2560.930201	2259.70399	1855.855003	2242.509514	2455.590987	1742.83806	2321.730954	2494.891564	1944.427192	2232.236758	2346.303801	2665.564754	2366.751126	2282.723164	2149.342478	2135.054605	2512.538156	1598.991086
1.03_131.0704m/z	131.0703982	1.026666667	pos	"(R) 2,3-Dihydroxy-3-methylvalerate"	HMDB0012140	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates	**	C06007	36.9	0	M+H-H2O	C6H12O4	0.861314059	5740.266399	5569.94077	5705.975717	5912.726044	5324.654323	5975.052917	5926.108158	5432.589989	6946.787923	5943.160495	6190.177091	5561.187531	5887.344595	5955.296146	5583.39763	5186.477444	5735.250781	5513.738536	5812.442068
1.06_325.0166m/z	325.0165817	1.063433333	neg	3-Methylsulfinylpropyl isothiocyanate	HMDB0006095	Organosulfur compounds	Sulfoxides	Unclassified			36.9	0	2M-H	C5H9NOS2	-3.845414376	19303.01343	21967.48837	17610.99727	28803.16863	13832.82252	24703.78146	11550.86698	28170.2694	23355.50561	16221.20144	19060.62905	29823.11617	20120.79115	15906.81401	17179.54063	17408.63834	16807.55734	25991.82032	26925.251
1.14_180.0293m/z	180.0292809	1.13945	neg	Clavulanate	HMDB0014904	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C06662	36.9	0	M-H2O-H	C8H9NO5	-4.774501174	530.3285073	400.9424885	413.0786991	408.5421753	417.8124496	393.5899588	527.7390899	331.6906677	480.8146629	424.4591335	357.187759	551.3759924	294.1790743	368.4821569	459.7771716	485.6685329	378.7123332	418.9062096	508.4193856
1.14_184.1118m/z	184.1117933	1.13905	pos	"2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine"	HMDB0040007	Organoheterocyclic compounds	Pyrrolizines	Unclassified			36.9	0	M+H-H2O	C13H15NO	-1.404761966	582.5183896	514.0446403	553.0270462	203.2596716	607.4755381	334.7505536	811.7194534	505.1496445	882.6120412	849.4593183	788.1131831	773.8298871	661.9607362	635.3758562	421.6037375	760.9534868	508.5192439	853.295248	471.0360392
1.14_374.9911m/z	374.9911096	1.13945	neg	Athidathion	72723	Unclassified	Unclassified	Unclassified			36.9	0	M+FA-H	C8H15N2O4PS3	-0.757299658	522.8667635	663.2283943	401.1818848	793.0806835	497.302537	1089.462064	634.9491177	1179.731903	1297.350756	489.4108375	816.2925932	850.2765823	828.2098488	703.9973158	575.4622961	662.4107904	639.7028212	896.6612059	600.2671697
1.18_555.1136m/z	555.1135694	1.1797	neg	"6,7,3',4'-Tetrahydroxyaurone 6-(2'',4'',6''-triacetylglucoside)"	LMPK12130013	Unclassified	Unclassified	Unclassified			36.9	0	M-H2O-H	C27H26O14	-1.471708463	8122.015984	8731.369778	8439.087418	8783.272779	9397.514262	9036.137172	9746.472039	7848.969736	7286.45338	8144.536461	9263.456422	7028.45466	10255.72495	7999.754209	7677.324168	9209.883725	8870.918771	9776.628958	9887.155065
1.24_287.0382m/z	287.0382281	1.2412	neg	[3-(3-phenylpropanoyl)phenyl]oxidanesulfonic acid	HMDB0135220	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones			36.9	0	M-H2O-H	C15H14O5S	-0.409451249	1053.386821	1280.116771	1370.007989	246.1397481	4041.865272	832.9940176	1588.832945	131.6134972	397.2160867	1907.144811	794.1181605	343.7398142	2094.06226	2352.953027	1822.981382	1450.287314	1908.395262	667.2484523	961.6240282
1.26_137.0456m/z	137.0455777	1.25845	pos	Ethyl propyl disulfide	HMDB0033053	Organosulfur compounds	Organic disulfides	Dialkyldisulfides			36.9	0	M+H	C5H12S2	1.903366699	1257498.839	1413881.418	1326183.658	1304617.022	1607358.097	1623832.881	1611213.946	842659.8562	940608.7261	1727887.29	1456593.669	643350.2139	1445160.406	1292004.595	1511006.828	1303044.167	1372117.913	1173487.117	1336672.792
1.30_348.2009m/z	348.2009279	1.296916667	pos	Portuloside A	HMDB0031382	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		36.9	0	M+NH4	C16H26O7	-2.273896556	15783.67741	14070.48551	18405.80872	15949.42866	17735.75506	16640.29219	11400.30547	12590.06669	12151.25785	14913.63947	13532.51794	14589.60118	14728.48957	14986.85347	15931.59012	16008.20031	14869.28858	16565.68009	17959.23008
1.34_188.0166m/z	188.0166385	1.336933333	neg	BAY-11-7082	45239	Unclassified	Unclassified	Unclassified			36.9	0	M-H2O-H	C10H9NO2S	-4.443154621	46440.67438	45338.69752	47012.63574	20290.95761	51234.32647	20430.53606	27480.09983	79488.42741	71994.22544	22351.91138	39258.8701	49142.45245	42267.87152	51795.82589	42968.66088	39803.28208	41023.73561	28423.16512	47117.75456
1.38_213.1847m/z	213.1847407	1.375966667	pos	"2,7-Dipropyl-1,6-dioxaspiro[4.4]nonane"	LMPK09000033	Unclassified	Unclassified	Unclassified			36.9	0	M+H	C13H24O2	-0.78099452	6852.687636	4941.559316	6051.434902	5260.986655	4709.347761	5481.204398	5344.842165	5457.919849	5195.331891	5636.864818	6033.206265	5351.486694	4810.502525	5192.311175	5239.484218	5549.575661	5289.134894	5638.988632	5324.152969
1.42_265.0852m/z	265.0851793	1.417983333	pos	Phenylephrine 3-O-sulfate	711	Unclassified	Unclassified	Unclassified			36.9	0	M+NH4	C9H13NO5S	-0.3633855	1465.62111	1550.196917	1532.900514	1253.505533	2262.085971	1624.294644	1422.267687	691.8812129	535.4697836	1968.179801	1364.570368	1052.731576	2707.2803	2326.830436	1745.109841	1412.642587	1950.16038	1207.566167	2607.510219
1.55_250.0752m/z	250.0752179	1.548516667	neg	5'-Deoxy-5'-fluoroadenosine	73343	Unclassified	Unclassified	Unclassified			36.9	0	M-H2O-H	C10H12FN5O3	2.384088195	418.4879724	439.1851502	358.0806427	287.6521346	271.6810208	314.2158124	185.639803	605.7835972	383.8985118	336.1825719	356.465686	229.1380865	474.661675	557.6053242	497.5719921	400.3589675	439.1418036	393.4326236	449.4265358
1.57_162.0384m/z	162.0384399	1.5697	neg	1-Isothiocyanato-2-phenylethane	HMDB0038445	Benzenoids	Benzene and substituted derivatives	Unclassified			36.9	0	M-H	C9H9NS	0.895677025	21.48035967	25.55099992	23.65841961	22.06004593	24.6762315	0.000297236	0.000297236	16.57777326	15.53096905	26.67425197	20.89311932	159.3065232	40.05051513	43.35872194	22.49188491	0.000297236	16.69019529	38.263346	22.36797992
1.59_374.1567m/z	374.1567003	1.59115	neg	AM2201 7-hydroxyindole metabolite	96611	Unclassified	Unclassified	Unclassified			36.9	0	M-H	C24H22FNO2	1.384826395	3322.291061	3294.18564	3518.731626	2720.070848	4949.842287	3662.959071	3997.050825	2657.063626	2450.659809	4077.606835	3499.970667	3233.469339	3370.124488	3517.280533	3291.757018	2974.722038	3372.736982	2807.789905	4136.687733
1.72_279.0097m/z	279.0096818	1.718133333	neg	Endothion	72741	Unclassified	Unclassified	Unclassified			36.9	0	M-H	C9H13O6PS	-0.312703831	175.220642	198.6601903	189.2048061	46.55602524	244.8728226	207.7404669	50.01010176	1174.431659	410.6741435	173.1685586	47.03212976	202.208639	126.321057	93.76930554	140.8712029	61.83343256	151.999374	50.78189559	164.1590191
1.80_221.9990m/z	221.9989545	1.801683333	neg	4-Methyl-5-(2-phosphoethyl)-thiazole	3360	Unclassified	Unclassified	Unclassified			36.9	0	M-H	C6H10NO4PS	-2.620880568	136.4560961	196.4371388	125.4429736	200.2353979	187.4161241	202.9333084	146.3949959	32.72205017	0.000297236	106.7023455	180.3010597	94.63026761	130.2687913	101.409657	198.5699337	158.5601252	123.2484705	214.5326549	199.7664176
10.25_640.1960m/z	640.1959941	10.25406667	neg	"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-3-(4-hydroxyphenyl)-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3-oxopropan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid"	HMDB0125880	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.9	0	M-H2O-H	C31H37N3O11S	-1.584875032	3186.68198	2858.419529	3324.53194	2797.310267	3692.847164	4412.760448	3544.377831	1693.870034	2232.139902	3390.816953	4020.817889	1912.608377	4166.679094	3324.057545	3586.030889	4536.103391	4212.428793	3116.269957	4144.820003
10.36_291.1108m/z	291.1107593	10.36063333	pos	"N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propanimidic acid"	HMDB0139534	Benzenoids	Phenols	Benzenediols			36.9	0	M+K	C13H20N2O3	0.827784906	136.1079252	222.3584997	187.3137665	283.5284606	0.000297236	166.1571539	0.000297236	0.000297236	0.000297236	305.159625	0.000297236	160.0210563	610.3209886	237.3360717	439.8440267	309.7515103	202.5680384	405.3435915	114.3213121
11.11_538.3143m/z	538.3142695	11.10751667	pos	POB-PE	LMGP20020032	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			36.9	0.0498	M+H	C25H48NO9P	0.603640511	67608.70793	51203.63116	67482.77202	71863.61474	62449.08483	62740.97742	80708.00666	79472.26202	55586.52332	57527.73041	79587.05238	51001.78739	63800.94909	52640.31973	37191.46465	51173.90003	50559.99124	80496.79976	67404.8454
11.11_793.4898m/z	793.4898189	11.10751667	pos	"PI(13:0/18:2(9Z,12Z))"	80068	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			36.9	0	M+H	C40H73O13P	4.622746222	8503.827776	6085.159759	5202.013525	8245.072962	4766.030816	5275.713542	13886.70641	16025.26929	5812.238073	6790.475917	10393.77393	3823.761144	7149.833868	8228.445801	2993.412676	1881.890943	5657.343043	12403.21834	8847.313503
11.30_580.3619m/z	580.361883	11.29551667	neg	LysoPE(22:1(13Z)/0:0)	62305	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		36.9	0	M+FA-H	C27H54NO7P	-0.204615943	2309.514907	2651.200598	1968.170181	2263.919879	3173.089407	2862.172168	2825.991968	960.648866	1392.837842	2098.260908	2301.352611	1992.35777	2736.187143	1808.163516	3356.787949	3103.486014	2381.912658	1992.873255	1872.047651
11.44_379.1558m/z	379.1557617	11.44436667	neg	"3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan"	47434	Unclassified	Unclassified	Unclassified			36.9	0	M-H2O-H	C23H26O6	1.668360103	7160.85396	7082.68227	7196.768155	5207.143852	4658.124806	5160.784883	6416.452592	5806.158223	6090.690063	5573.768553	6514.002463	6442.011049	5128.490896	6210.422483	5348.965831	4982.838012	5042.48459	6805.266792	5903.014555
11.44_602.3465m/z	602.3465403	11.44436667	neg	"PC(21:4(6Z,9Z,12Z,15Z)/0:0)"	40270	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			36.9	0	M+FA-H	C29H52NO7P	0.35490873	2930.307782	5474.560622	4594.119395	206.076829	1684.167503	0.000297236	252.9402969	0.000297236	0.000297236	0.000297236	506.8904474	0.000297236	385.8770941	195.8066178	190.2932956	881.3522121	0.000297236	163.9428995	0.000297236
11.48_290.1381m/z	290.1380783	11.48118333	pos	"5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one"	HMDB0038582	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			36.9	0.219	M+H-H2O	C16H21NO5	-1.973752775	24558.44624	19586.94787	25304.50518	30844.65328	26588.48155	24514.68233	25529.13112	17527.33954	21613.33143	18681.53944	26560.96244	21161.37138	27428.90851	27813.50168	23738.95713	27352.92448	26380.49691	23980.18245	28401.59106
11.72_379.1558m/z	379.1558435	11.7209	neg	"2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate"	70544	Unclassified	Unclassified	Unclassified			36.9	0	M-H	C23H24O5	1.962388357	6608.344801	5662.96858	5251.053057	4562.041358	4510.848183	4484.644406	5677.052534	4869.908714	4522.917321	4951.186578	5124.781432	5920.566999	5041.111834	5605.868634	4563.392484	3958.532623	4517.391549	5113.206713	4441.437578
13.23_367.0191m/z	367.0191343	13.23398333	neg	Orotidylic acid	HMDB0000218	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine ribonucleotides	**	C01103	36.9	0	M-H	C10H13N2O11P	1.942382864	32501.55544	36151.78784	34028.16643	32359.77311	29377.22171	34160.76943	31886.65562	36914.61626	33016.97946	32727.26516	34200.30691	31619.0411	28531.53587	32112.2689	35233.70824	34885.23018	32793.66474	34029.37018	33263.6404
15.24_191.0125m/z	191.0125362	15.23936667	neg	ZAPA	69642	Unclassified	Unclassified	Unclassified			36.9	0	M+FA-H	C4H6N2O2S	-4.555086855	1098.572479	971.7475075	980.5090522	1056.30421	1155.368362	1317.325365	942.2658034	1167.184837	938.3962815	1729.107457	874.6920759	952.867967	1046.825498	1266.141301	945.0451895	1100.266777	1188.503194	1643.917098	1098.398402
2.05_477.0783m/z	477.0783383	2.054766667	neg	2-Methyl-1-hydroxypropyl-ThPP	58571	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C15976	36.9	0	M-H2O-H	C16H26N4O8P2S	3.066671346	16176.8859	18394.24179	16368.56451	19041.91996	16395.77206	16735.70657	18759.84682	14277.03696	14503.50535	17956.84946	16412.26468	16312.75893	17395.16409	17148.86633	17284.95622	15705.96318	17766.18162	17932.78229	20860.0713
2.05_487.0341m/z	487.0341058	2.054766667	neg	Cefditoren	HMDB0015199	Organoheterocyclic compounds	Tetrahydroisoquinolines	Unclassified			36.9	0	M-H2O-H	C19H18N6O5S3	3.687763742	10055.33897	8733.568023	10040.36184	10410.77259	8642.74967	8406.127361	10102.31959	8386.416722	7490.696961	9035.402202	9389.593164	9025.10115	9911.764799	10108.26911	8639.59234	9738.072761	10380.2625	10365.11641	10805.71828
2.10_493.9798m/z	493.9798414	2.097366667	neg	C.I. Pigment Yellow 100	92545	Organoheterocyclic compounds	Azoles	Pyrazoles			36.9	0	M-H	C16H12AlN4O9S2+3	2.03882584	3179.266048	4726.919012	4148.090071	4007.206882	4366.078193	4814.599111	4635.87348	3916.375939	4894.076834	4405.457518	3886.977597	3998.67978	3910.182625	3466.283125	4049.641795	4331.555067	3630.89884	4637.413158	3373.751804
2.75_385.0075m/z	385.0075321	2.754933333	neg	Bis(4-nitrophenyl)phosphate	66043	Unclassified	Unclassified	Unclassified			36.9	0	M+FA-H	C12H9N2O8P	-0.949091937	5330.517666	4874.140546	5215.617091	5098.494613	4562.238879	5586.032866	6168.204348	3597.680094	3866.5297	4828.257494	5298.824396	4719.715356	5965.493938	5084.899083	4461.182027	4332.862243	5126.1657	5533.20711	4926.874123
2.88_220.1329m/z	220.1328673	2.8818	pos	3-(3-Methylbutylidene)-1(3H)-isobenzofuranone	HMDB0031663	Organoheterocyclic compounds	Isocoumarans	Isobenzofuranones			36.9	0	M+NH4	C13H14O2	-1.672263944	1910.457471	1435.733527	1538.69125	2340.965419	937.0700235	1162.939332	2033.728795	1802.732153	2456.224645	1255.833388	2081.301531	1959.191924	1153.821586	1254.076771	1939.490129	1707.731135	2177.441989	1960.678508	829.5079481
2.97_419.1242m/z	419.1242358	2.966683333	neg	N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide	69097	Unclassified	Unclassified	Unclassified			36.9	0	M+FA-H	C22H18N2O4	-1.668371078	417.7012443	381.0261131	299.3333206	0.000297236	238.457271	536.2266373	159.8998143	3861.578356	976.1494989	300.9819677	0.000297236	0.000297236	54.64791994	0.000297236	64.06408326	0.000297236	0.000297236	0.000297236	160.9127627
3.29_229.1552m/z	229.1552058	3.29325	neg	Isoleucyl-Valine	85825	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.9	0	M-H	C11H22N2O3	-2.434689665	162.8767973	151.9321479	186.2476552	160.22419	222.0829821	136.2370045	289.3035495	67.80025884	0.000297236	278.4109347	134.9905313	0.000297236	305.0802516	238.8154614	231.5298019	297.3811417	262.4129382	132.594614	266.2745701
3.53_289.0804m/z	289.0804068	3.534466667	neg	Metiamide	66646	Organoheterocyclic compounds	Azoles	Imidazoles		C07449	36.9	0	M+FA-H	C9H16N4S2	2.316322116	1368.473824	1341.718571	1129.22942	512.9437875	2691.847391	1001.971765	2060.750545	368.9713539	465.0014843	2682.274299	1609.340859	322.1254693	1322.9541	2474.991513	1632.327949	1471.319585	1476.66438	887.0139125	1312.512355
3.64_399.0693m/z	399.0692679	3.640283333	neg	5'-Butyrylphosphoinosine	63405	Unclassified	Unclassified	Unclassified			36.9	0	M-H2O-H	C14H19N4O9P	-4.43870135	5451.195357	5908.4825	6305.610514	5413.418616	8345.673175	5092.187424	6190.078666	5997.242769	4073.894756	7236.601643	5676.985008	5364.754088	6608.14131	6266.886244	7098.089096	6051.422538	6152.654093	5783.435449	6113.108394
3.76_344.1073m/z	344.1073173	3.764833333	neg	E3040	69116	Unclassified	Unclassified	Unclassified			36.9	0	M+FA-H	C16H17N3OS	-0.397164166	1027.351203	1171.099521	1287.245986	978.6489178	1306.69425	1284.631691	1215.55492	1177.826429	1055.84954	1219.105142	929.5010929	1249.511893	1098.008723	988.2968349	1150.863109	1123.571472	1261.989385	1039.042051	1332.151386
3.85_269.1593m/z	269.1593141	3.847383333	pos	Valerylcarnitine	HMDB0013128	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		36.9	0	M+Na	C12H24NO4+	-1.786742218	975.1643894	823.7644139	963.0847588	817.1151724	1000.486821	655.1544733	798.9725916	547.4597817	575.0122438	493.0763103	676.6589812	1086.544725	955.9412883	967.7244331	947.6801937	1160.165131	1042.30156	634.6122887	957.2041859
4.44_202.1156m/z	202.1156345	4.4373	neg	4-oxo 2-Nonenal-d3	96377	Unclassified	Unclassified	Unclassified			36.9	0	M+FA-H	C9H11D3O2	-4.953347288	219.1251698	222.8670858	162.5197219	82.65280591	133.6342076	399.051632	95.13439584	402.2122667	474.361118	348.1039216	200.4587342	295.9569718	142.3207589	142.3339643	137.9011101	86.90669716	125.0161588	88.15171647	125.4352648
4.52_413.0189m/z	413.0189332	4.5199	neg	"[3-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid"	HMDB0125287	Phenylpropanoids and polyketides	Flavonoids	Flavans			36.9	0.0576	M+FA-H	C15H12O9S	1.432941825	1528.962057	1144.111212	1127.592066	2481.47726	930.3358042	715.1692113	946.3345409	1043.316777	1200.609751	364.0888121	1017.461603	1221.408312	855.7185218	1330.240117	1015.577523	1078.22532	1686.15077	1094.396363	703.5302303
4.78_225.1482m/z	225.1481946	4.779633333	pos	"(6S,9R)-Vomifoliol"	65649	Unclassified	Unclassified	Unclassified			36.9	0	M+H	C13H20O3	-1.455735873	1469.916682	1303.44291	1310.015005	1531.301009	1312.381776	1352.765677	1218.999519	1376.504853	1400.448326	1401.521791	1212.692695	1351.719084	1374.142058	1141.256464	1324.652339	1462.595676	1265.490572	1277.552731	1375.179506
5.35_389.0313m/z	389.0312862	5.348233333	neg	Carbocysteine sulfoxide	1527	Unclassified	Unclassified	Unclassified			36.9	0	2M-H	C5H9NO5S	-4.420417324	1963.325521	2305.668391	2188.930986	190.3453937	2467.892258	11956.97778	246.6434482	143.2490253	214.3339577	13605.39031	242.7431504	455.9436297	1587.872545	190.2524547	777.5269184	283.3576886	523.6491082	192.3384433	417.0070944
5.79_494.2194m/z	494.2193659	5.79205	neg	ZM 447439	45566	Unclassified	Unclassified	Unclassified			36.9	0	M-H2O-H	C29H31N5O4	-0.774424636	2101.378682	1870.131086	1719.759751	3492.880935	929.1018749	3301.017777	1394.214232	446.6757353	0.000297236	1726.528773	2012.300075	801.8865056	1830.243293	1766.891308	2281.874344	2365.161732	3439.763137	3816.592685	2791.514923
6.07_405.2046m/z	405.2046061	6.0661	neg	L-Tryptophanamide	65546	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives		C00977	36.9	0	2M-H	C11H13N3O	0.390029062	2416.459116	2075.982254	2388.565078	4565.051918	514.5312433	2834.706175	1659.224382	4297.937473	1798.810104	675.1462283	1125.146614	4192.789933	1649.060827	2973.87339	2095.959314	2479.036438	2365.032473	3174.28869	2445.00366
6.08_371.2341m/z	371.234064	6.082816667	neg	Hydroxystenozole	70527	Unclassified	Unclassified	Unclassified			36.9	0	M+FA-H	C21H30N2O	0.145581377	2310.865268	2038.130443	2409.541499	4077.561365	979.2204049	3238.583544	1701.955504	3806.041815	1573.593106	1097.897	1748.620456	4179.702561	1466.962797	2999.111047	2676.861142	2534.285774	2709.793903	3286.620103	2506.563608
6.69_202.1434m/z	202.1434082	6.685966667	pos	5-oxo-7E-decenoic acid	LMFA01060084	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			36.9	3.79	M+NH4	C10H16O3	-1.964557237	4714.849814	4978.354776	5061.168404	4416.337822	5653.217242	4691.323984	3829.818838	4472.779221	6553.163992	4660.082775	5869.423877	5446.73268	5196.098006	5109.413627	5494.944505	5622.870149	4683.384302	4492.367931	5437.552172
6.72_511.1456m/z	511.1455563	6.7244	neg	Agnuside	HMDB0036561	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		36.9	0	M+FA-H	C22H26O11	-0.339326233	1011.715969	922.8207783	921.709259	465.8289265	680.697317	324.1754506	725.1129797	450.7635694	2271.292618	302.9479188	531.1182453	1509.239257	2922.930147	419.4669172	290.0412924	427.7297005	1315.107931	427.4473692	757.3833566
8.17_248.0797m/z	248.0796664	8.174883333	neg	3-Deoxyguanosine	4149	Unclassified	Unclassified	Unclassified			36.9	0	M-H2O-H	C10H13N5O4	2.821453672	1212.332047	1199.052027	1224.295792	1017.972504	1394.475571	973.5318708	1011.962645	1107.363737	1145.913493	1246.99276	1453.869531	1217.923083	1212.727846	1369.567328	1215.169357	1261.468923	1209.587865	1240.977423	973.5150407
8.79_254.1749m/z	254.1748917	8.786983333	pos	4-Heptyloxybenzoic acid	69931	Unclassified	Unclassified	Unclassified			36.9	0	M+NH4	C14H20O3	-0.755048441	935.8940493	1068.638067	1003.568771	880.8326151	889.6099663	1837.646828	755.464089	315.7737923	498.3696893	1076.967965	1094.80436	724.5795283	1055.223676	1430.378202	1271.08693	773.5185774	1115.437909	1224.984581	1009.256794
9.96_265.1809m/z	265.1809244	9.9571	neg	"(2-trans,6-trans)-farnesal"	LMPR0103010012	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids	**	C03461	36.9	0	M+FA-H	C15H24O	0.027952414	176.7729484	179.8454499	101.3612149	94.25457958	133.8580697	171.5144798	185.8989017	0.000297236	44.17046516	151.608797	126.673955	0.000297236	106.9029233	302.8003531	202.3216257	216.9426685	106.8289735	263.3744679	185.1133617
0.31_173.1323m/z	173.1322694	0.30925	pos	dehydro-beta-Ionone	HMDB0059904	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		36.8	0	M+H-H2O	C13H18O	-1.091730877	9038.347982	5266.605284	6608.567941	7033.229261	6595.684307	6620.364102	7345.002984	7301.220654	7959.589976	7547.604432	8135.227666	6410.424035	6513.804501	5441.327497	7385.539726	6997.356573	7269.762096	7023.098177	7266.13911
0.38_203.1428m/z	203.142797	0.3825	pos	"(Z)-6-Tetradecene-1,3-diyne-5,8-diol"	HMDB0038996	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		36.8	0	M+H-H2O	C14H20O2	-1.111128848	5281.570144	5844.957835	4880.735178	5166.204916	5584.24771	6204.220727	6528.400761	6264.669695	6052.518945	5931.750321	6030.617987	4939.481788	5612.85827	5473.003049	5213.165091	5816.401047	5403.559786	6365.398203	6076.829435
0.58_538.8919m/z	538.8919436	0.582133333	neg	Hydroquinone disulfate	1831	Unclassified	Unclassified	Unclassified			36.8	0	2M-H	C6H6O8S2	-2.960337854	1678.460648	2566.836489	2344.295733	1724.805665	1836.761821	2471.169362	4614.520945	3850.754997	3762.268732	3513.354792	3021.94025	1434.501773	1548.825889	3001.433852	2804.136054	2674.929347	2177.133594	2075.971209	5222.251417
0.59_195.1232m/z	195.1232164	0.589883333	pos	N'-Nitrosonornicotine	71204	Organoheterocyclic compounds	Pyridines and derivatives	Pyrrolidinylpyridines		C16452	36.8	0	M+NH4	C9H11N3O	-4.636918696	952.0101461	1667.872385	1156.689789	1585.794933	701.1545565	1197.000393	562.3697926	1068.760918	1023.903962	987.694793	1386.393745	1651.240799	927.3701974	1187.764966	1319.811435	2057.463081	1979.929372	2716.615388	1698.871089
0.59_324.2169m/z	324.2168814	0.589883333	pos	Capsiate	HMDB0034780	Benzenoids	Phenols	Methoxyphenols		C20203	36.8	2.83	M+NH4	C18H26O4	-0.174603145	61585.64548	59663.31876	57642.0483	61233.27103	54528.07869	59963.25674	61167.61046	55787.12925	65845.69448	65702.4797	67431.55094	45268.56055	59563.83062	57201.55225	55462.23878	52634.14709	52891.24646	66658.86327	50042.52163
0.62_449.1610m/z	449.1609846	0.623133333	neg	"4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan"	LMPK12020274	Unclassified	Unclassified	Unclassified			36.8	0	M+FA-H	C25H24O5	1.009070948	10172.92781	9411.035443	10221.60069	11328.41214	9859.840438	8766.270032	7972.972058	7914.389613	5724.09776	9848.675703	11777.94616	9187.190455	14918.11225	13409.33653	10055.4664	11574.75382	12035.03538	14983.0237	15047.73277
0.63_206.0972m/z	206.0972386	0.62635	pos	4-Butyl-5-propylthiazole	94608	Organoheterocyclic compounds	Azoles	Thiazoles			36.8	0	M+Na	C10H17NS	-0.833541194	3595.380132	4330.939608	3775.146972	4542.852624	3480.450127	4897.644861	4232.61863	7230.658532	5658.321294	4358.62828	3326.909597	4423.237719	3795.191739	2785.598277	4105.983834	3851.02244	4145.850238	4291.155331	3945.264091
0.64_345.1279m/z	345.1278846	0.641183333	neg	Promazine sulfoxide	2132	Unclassified	Unclassified	Unclassified			36.8	0	M+FA-H	C17H20N2OS	0.158082485	5305.070602	5345.239556	6078.738503	7247.000644	3947.647247	4348.313507	3627.05058	3691.184423	3062.160218	5220.693727	5467.450468	5215.47891	5497.532589	5406.917225	5953.249782	6983.895436	6077.344825	9041.904088	7751.925942
0.64_365.1884m/z	365.1883578	0.643516667	pos	15beta-Hydroxydesogestrel	HMDB0060707	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids	*		36.8	0	M+K	C22H30O2	1.899044953	4711.665299	5610.805299	6796.992437	6635.709633	5651.146628	4800.950631	6145.91112	2555.055462	2108.259412	6139.994833	7337.804421	5395.768371	7538.423641	6700.615334	7548.89802	10044.13899	6400.476844	6375.042136	5881.378578
0.66_263.0415m/z	263.0414862	0.658766667	neg	9-Riburonosylhypoxanthine	69141	Unclassified	Unclassified	Unclassified			36.8	0	M-H2O-H	C10H10N4O6	-2.505524661	2763.033254	3182.224479	3536.310913	5484.165877	1761.508235	2213.952272	4400.945928	1090.548662	1529.708185	2310.122618	4664.36363	3719.264274	3834.71349	3903.933193	3868.996523	3814.278674	3683.396945	3532.658707	4343.150681
0.73_133.0800m/z	133.0799619	0.729216667	pos	"N,N'-Diethylthiourea"	73103	Unclassified	Unclassified	Unclassified			36.8	0	M+H	C5H12N2S	4.285825772	70326.99133	66642.67528	67339.5145	69424.58502	52904.28583	53711.20859	61884.92606	86874.16476	98225.15969	53080.45045	65867.07154	99420.52998	67362.23748	72120.91909	59253.12737	68623.67151	64035.89904	65403.88166	73108.58079
0.75_151.0599m/z	151.0599104	0.746966667	neg	D-Xylitol	HMDB0002917	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	***	C00379	36.8	0	M-H	C5H12O5	-8.461291017	899.1231481	824.2653036	595.8828468	803.8313513	898.1870294	1568.559464	877.5361948	120.8359815	197.6129945	1162.364676	631.1622036	342.7261565	1106.755417	1297.817568	563.046901	762.7912153	1154.368713	479.9161972	1234.22255
0.85_136.0384n	159.0276168	0.850933333	pos	Ethyl isopropyl disulfide	88946	Organosulfur compounds	Organic disulfides	Dialkyldisulfides			36.8	0	"M+Na, M+K"	C5H12S2	2.600329049	495920.4419	513203.7167	499506.3757	511975.5938	464987.3743	475548.407	467501.1335	488732.9093	451019.2015	496390.9154	462798.1912	556646.4302	527550.2602	519191.4351	524723.6097	554386.7214	548470.8599	543440.1195	511192.4052
0.86_345.0466n	344.0418769	0.85685	neg	3'-Keto-3'-deoxy-AMP	64575	Unclassified	Unclassified	Unclassified			36.8	0	"M-H2O-H, M-H"	C10H12N5O7P	-2.29935927	3895.618308	4857.961977	4118.133751	5887.416264	5225.770472	5648.554448	4947.48681	2912.850629	4484.264651	4568.888506	5518.678807	3974.580413	5441.844426	4809.987037	5545.778688	5216.999606	4849.293184	4060.065572	4879.702989
0.90_329.9895m/z	329.9895115	0.898616667	neg	AS-604850	45220	Unclassified	Unclassified	Unclassified			36.8	0	M+FA-H	C11H5F2NO4S	2.012381509	2791.051493	2937.650689	3665.081589	3022.06694	2882.31202	3615.232703	3502.747262	1939.404533	1807.238915	2770.366747	3014.119625	2745.735141	3278.955078	3454.711886	2422.092547	3891.988465	3825.05744	3484.430197	3074.636393
0.94_179.0331m/z	179.0331388	0.937716667	neg	Syringic acid	HMDB0002085	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	***	C10833	36.8	0	M-H2O-H	C9H10O5	-9.308336281	1464.01892	1391.514179	1414.731538	1538.402258	1370.428453	1364.953393	1213.459049	1359.152126	1620.845984	1353.195708	1472.588771	1814.284598	1357.55236	1137.112555	1605.515373	1337.617887	1070.334043	1545.761352	1360.411321
0.94_313.0518m/z	313.0518102	0.937716667	neg	Hypoxylone	68271	Unclassified	Unclassified	Unclassified			36.8	0	M-H2O-H	C20H12O5	3.546877734	72869.26003	73934.9573	77266.39169	65850.1102	77486.55535	78715.88945	93436.33217	71710.62511	75243.10378	92619.77672	66586.61917	60612.55656	79096.92559	67153.52818	75542.34773	62007.16676	75467.77681	69041.62863	95927.85492
1.08_124.0584m/z	124.0583736	1.079266667	pos	2-(2-Methylpropyl)thiazole	HMDB0031862	Organoheterocyclic compounds	Azoles	Thiazoles			36.8	0	M+H-H2O	C7H11NS	3.129638018	264647.1511	272954.6829	246880.2292	288185.4695	252540.1602	277135.5834	244140.791	209632.1308	221161.4839	293659.0822	249895.301	244377.5014	252950.1623	282724.8604	286442.9306	275522.4702	258001.4484	266231.186	254577.0562
1.12_233.0589m/z	233.0588832	1.118383333	pos	"Pyrene-1,8-dione"	72102	Unclassified	Unclassified	Unclassified			36.8	0	M+H	C16H8O2	-3.545574656	2986.789024	3084.85687	2490.847748	3602.324587	2527.952194	3143.130036	3751.637324	4129.333478	3609.512737	2798.856192	1741.36368	2657.91172	1950.523064	2223.228387	4340.657345	3164.787621	5007.459715	2632.509892	1969.954408
1.16_320.0442m/z	320.0441523	1.1608	neg	L-Tyrosine methyl ester 4-sulfate	66133	Unclassified	Unclassified	Unclassified			36.8	0	M+FA-H	C10H13NO6S	-1.486110684	2908.750926	4189.622585	2851.272082	4184.057117	3704.870487	2355.493538	4419.138783	1493.57632	2026.401181	4956.862151	4706.247468	2032.224024	3765.466567	3630.57817	3879.950784	3160.703736	2778.521051	3461.396426	3242.526295
1.16_547.2199m/z	547.2199221	1.1608	neg	Isocyclocalamin	90537	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	*		36.8	0	M+FA-H	C27H34O9	2.860414601	1552.871873	2117.862583	2507.591674	1745.565139	1223.792198	2211.205067	237.5757349	5445.744547	5657.476219	1275.394009	1495.313564	3706.099136	2250.411618	1798.302165	1092.927089	1913.238836	1543.751664	2496.001072	3493.536026
1.20_219.0767m/z	219.07674	1.199216667	neg	Felbamate	2654	Benzenoids	Benzene and substituted derivatives	Unclassified	**	C07501	36.8	0	M-H2O-H	C11H14N2O4	-3.258329112	1517.857057	1418.030105	1764.836302	1653.317235	1455.362828	1517.130792	1319.11486	1297.81989	1114.798463	1424.187478	1133.831556	1717.222043	1381.777959	1173.463879	1455.004366	1374.155861	1477.915198	1654.283198	1738.469099
1.28_325.0319m/z	325.031937	1.278416667	neg	Sinalbin A	HMDB0036650	Organoheterocyclic compounds	Indoles and derivatives	Indoles			36.8	0	M+FA-H	C12H12N2O2S2	-1.019578288	37352.12082	47301.01957	47555.10125	48250.25256	44244.50043	47953.20859	50370.33918	36531.17413	40165.78039	46665.40674	49441.86199	28459.03746	43968.81214	36387.35861	45121.62391	46640.65606	45234.72014	47060.29887	45308.51691
1.55_213.1848m/z	213.1848148	1.554083333	pos	"7-Butyl-2-methyl-1,6-dioxaspiro[4.5]decane"	102873	Unclassified	Unclassified	Unclassified			36.8	0	M+H	C13H24O2	-0.431862535	8301.519308	7378.751006	7080.51154	7797.585015	7270.176556	7211.877401	7786.391568	7789.043636	8217.827239	8057.906329	7699.35516	7641.892396	7318.956384	7343.40005	7809.642238	7503.281714	7134.088288	7133.076588	6589.818901
1.71_211.1116m/z	211.1116146	1.70895	pos	(S)-Curzeone	HMDB0033878	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		36.8	0	M+H-H2O	C15H16O2	-0.55618871	376.2113021	410.5878949	420.5359487	454.6978911	364.1554408	182.6042558	458.2339228	374.7840946	689.0492255	348.2825278	585.14377	365.5080417	347.7281758	326.6379082	472.1543995	238.493495	250.2361744	342.6702291	540.7408874
10.00_407.0131m/z	407.0131255	9.9998	neg	L-Galacturonic acid calcium salt	71657	Unclassified	Unclassified	Unclassified			36.8	0	M-H2O-H	C12H18CaO14	-3.003504299	6843.283775	7576.142883	6879.974769	7564.686196	8092.884666	7165.157134	9391.119029	8135.310489	7908.532658	8784.148239	8709.893026	8410.57413	7764.201241	7881.097858	7607.782775	7903.769238	7435.954731	8080.717267	7220.86222
10.17_265.1808m/z	265.1808277	10.16935	neg	Nootkatol	71940	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*	C17915	36.8	0	M+FA-H	C15H24O	-0.411177698	283.2265042	437.0535726	415.3298447	231.3814562	331.4652785	163.9232664	145.496892	200.9574972	163.4250835	183.6182281	264.3146121	132.0744862	258.5404788	278.8036537	251.4648006	272.4806473	245.5684189	204.7391527	272.8441318
10.21_437.2674m/z	437.2673997	10.21133333	neg	PA(0:0/18:0)	LMGP10050043	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	**	C00416	36.8	0	M-H	C21H43O7P	0.081748413	796.2514012	1067.492438	600.8709081	949.0123931	1095.821118	637.4606482	860.8082463	1234.463072	1121.25512	750.1790308	686.9251913	950.3865246	1209.438415	1297.779074	1169.50616	1167.445485	1560.094734	1008.81481	625.9201504
10.23_269.2121m/z	269.2121088	10.23283333	neg	10-pentadecenal	LMFA06000084	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes			36.8	0	M+FA-H	C15H28O	-0.48882803	670.7839549	651.5006278	546.9652423	496.7666396	897.1554693	697.7542015	497.394823	604.6080424	1076.125761	499.4138771	617.0889536	773.7471553	541.4521402	412.6867943	686.1063294	536.9299871	474.1782276	517.9620713	558.3841695
10.28_585.2564m/z	585.2563686	10.2751	neg	Tetrahydroaldosterone-3-glucuronide	LMST05010067	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	*		36.8	0.00242	M+FA-H	C27H40O11	2.042811947	6281.774432	4729.845464	6193.329834	6598.381478	5943.444427	6632.280109	6834.544948	2952.061473	3459.225499	5359.789611	4242.670071	4055.155863	7733.000524	7235.57451	7123.531895	6533.068095	8353.486145	5274.70626	6459.783276
10.42_289.1343m/z	289.1343292	10.42206667	pos	O-Isopentenylhalfordinol	HMDB0030308	Organoheterocyclic compounds	Azoles	Oxazoles			36.8	0	M+H-H2O	C19H18N2O2	2.579450769	4825.477276	4080.658895	4361.211759	3687.191665	4015.803664	4092.389399	4310.395165	5837.464493	7128.26365	3666.906257	3690.922193	7461.76906	4801.595587	4190.005847	5387.171056	4878.358006	5704.044196	4018.191926	3649.036597
10.42_639.0243m/z	639.0242574	10.42301667	neg	"3,4,8,9,10-pentahydroxy-6-oxo-6H-benzo[c]chromene-1-carboxylic acid"	HMDB0126633	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins			36.8	0	2M-H	C14H8O9	-3.327665567	22914.4472	18153.7962	22431.27	22939.80919	21607.33576	18268.56195	18761.08909	20404.07445	21063.20828	20493.22563	23474.11615	20648.33433	20140.7972	21124.87957	21619.27286	22819.09755	21170.41432	22641.07146	20486.45486
10.66_573.3421m/z	573.3421178	10.65788333	neg	Ganoderic acid V	HMDB0033079	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	*		36.8	0	M+FA-H	C32H48O6	-2.222572217	1448.215041	1748.90367	1740.47068	2104.453243	639.8630041	2104.106464	896.0971653	2086.459354	1035.901752	1712.812637	1894.479658	0.000297236	1092.382249	2180.694131	2562.184413	2961.650861	3426.485395	3447.799259	0.000297236
10.76_469.0289m/z	469.0289433	10.76428333	neg	Flupyrsulfuron-methyl sodium	72617	Unclassified	Unclassified	Unclassified			36.8	0	M-H2O-H	C15H14F3N5NaO7S	0.843472823	4136.353619	4769.066109	4276.421616	5233.48317	4189.260402	4322.453154	4520.052041	5351.554084	5492.557567	4583.520741	4929.759314	3804.791711	4814.497238	3799.106436	4550.300234	5213.831868	4334.950443	4916.239963	3925.530999
11.83_881.5195m/z	881.5195039	11.82706667	neg	R-1 Methanandamide Phosphate	44887	Unclassified	Unclassified	Unclassified			36.8	0	2M-H	C23H40NO5P	-2.311171312	449912.9644	339764.1447	307168.2406	320788.9855	375341.4957	365178.5787	385168.8564	363976.7959	343093.7737	374563.6807	393997.9933	410522.2138	378668.5007	358204.048	360580.5286	351844.8484	309587.3181	207597.6462	252019.3057
12.25_557.2887m/z	557.2886622	12.24875	neg	Denticulaflavonol	LMPK12111996	Lipids and lipid-like molecules	Polyketides	Flavonoids			36.8	2.89	M-H	C35H42O6	-3.941368048	29760.85596	23907.31847	25091.67149	28248.89267	28554.91213	49038.42523	28891.69713	59125.44991	48112.34197	24196.85247	30387.9344	57613.18113	21518.74113	18934.7301	25087.39063	30192.94212	29903.70819	36219.38032	20383.92961
12.42_446.3422m/z	446.3422061	12.42375	pos	7alpha-hydroxy-4-cholesten-3-one-d7	103334	Unclassified	Unclassified	Unclassified			36.8	0	M+K	C27H37D7O2	2.405974194	31881.76806	19622.77119	31273.2653	32098.49417	25573.74832	31487.9299	28672.58683	30584.43519	27883.08694	30840.06151	30158.97868	17849.11389	27271.75917	24206.9114	30243.07549	29518.36752	26935.88643	28570.82873	31127.93102
12.94_367.0193m/z	367.0192686	12.9408	neg	"Orotidine, 5'-phosphate (OMP)"	3507	Unclassified	Unclassified	Unclassified			36.8	0	M-H	C10H13N2O11P	2.307356679	4955.060469	4634.194532	4416.979856	5424.829345	5302.473203	3694.078414	5312.95051	4766.085992	5562.536836	5226.172131	5012.269124	3822.323044	3918.391991	5122.58953	5201.60339	5446.039939	4737.676018	5143.086714	5103.77629
13.15_329.2693m/z	329.2692699	13.14595	pos	Avocadene 1-acetate	HMDB0031043	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		36.8	1.81	M+H	C19H36O4	1.930974909	88699.54186	61535.85909	99458.50647	88651.08351	88620.90975	97452.42406	96534.44994	102743.3767	76079.82343	89299.22873	71891.38104	73619.81218	97892.93933	103547.8331	97201.83446	76418.73038	69722.11579	72068.65276	65966.05748
13.19_235.1183m/z	235.1183414	13.18731667	pos	8-Propyloxycaffeine	96361	Unclassified	Unclassified	Unclassified			36.8	0	M+H-H2O	C11H16N4O3	-2.422295028	2236.409156	2377.573493	2730.247498	2658.715324	2662.722553	2773.32273	2917.06298	2807.625686	2420.861425	3012.189681	2673.478715	1687.221121	2895.60029	2498.273884	2671.612342	2812.961963	3030.143475	2818.708809	2755.319637
13.44_282.2555n	281.2482045	13.44161667	neg	Ethyl 9-hexadecenoate	97323	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		36.8	0	"M-H, M+FA-H"	C18H34O2	-1.41496171	2724.458334	2613.777386	3017.730675	1153.791884	5043.988658	2028.695377	1446.503279	4130.972634	4089.080528	2364.076488	1922.847004	3325.437859	4323.041397	3118.33557	1852.201718	1546.754046	1603.694565	1943.260077	2793.14928
14.71_321.2099m/z	321.2098923	14.71283333	neg	Nicotine imine	HMDB0001010	Alkaloids and derivatives	Unclassified	Unclassified			36.8	0	2M-H	C10H13N2+	4.412682038	5754.675205	6376.811186	4636.337963	465.713145	0.000297236	292.8508454	315.4711132	522.0718646	356.4550704	0.000297236	0.000297236	247.9180945	0.000297236	307.948932	406.3887785	0.000297236	0.000297236	0.000297236	678.7488921
15.61_259.1897m/z	259.1897428	15.605	pos	4-methyl-tridecanedioic acid	LMFA01170017	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			36.8	1.87	M+H	C14H26O4	-2.490181645	4431.486215	4612.923874	4176.876981	4638.980414	4244.902338	4776.421532	4213.113057	4447.558571	4369.475751	4492.185109	6292.127084	4297.333679	5363.405367	3893.608714	3874.588696	4728.127421	4683.497357	4462.421542	4142.79359
15.85_229.2159m/z	229.2159163	15.85248333	pos	Heptyl heptanoate	HMDB0034461	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		36.8	0	M+H	C14H28O2	-1.271726098	2681.884035	3181.79376	2580.085362	2386.84588	3009.184579	2765.661036	2783.256246	2557.097319	2914.548913	1989.320634	2728.638861	2923.322437	2840.995321	2741.343953	2918.251449	2812.5746	2902.710588	2802.190842	2676.41589
15.89_228.2319m/z	228.2318662	15.891	pos	"3-methyl-6-(1-methyl-ethyl)-3,9-decadien-1-ol"	LMFA05000032	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			36.8	0	M+NH4	C14H26O	-1.544961774	2955.302479	3249.055305	2628.395686	2799.400992	2891.196211	3291.35962	3438.598983	2895.40989	2652.174774	2536.751437	3387.384717	3350.580349	2615.905666	3406.256784	3098.806942	3112.112508	2661.065171	2935.802899	3197.347613
2.10_504.0089m/z	504.0088889	2.097366667	neg	"alpha,beta-Methylene ATP"	69673	Unclassified	Unclassified	Unclassified			36.8	0	M-H	C11H18N5O12P3	-0.624948512	19864.63091	22257.55952	20636.5869	20528.44789	22329.03248	22326.49439	23836.28572	22100.77599	22334.39244	22445.14523	22510.81901	19586.10183	21460.44418	20716.22442	20826.79322	22330.62423	19877.89737	22538.38701	20070.55543
2.31_229.0436m/z	229.0436092	2.309933333	neg	Dapsone	HMDB0014395	Benzenoids	Benzene and substituted derivatives	Benzenesulfonyl compounds		C07666	36.8	0	M-H2O-H	C12H12N2O2S	-2.008801436	2323.999005	2174.939298	2204.452641	976.7107482	3615.64522	1524.893428	1327.156343	6308.937409	4761.683377	1657.225551	1138.094452	1776.38746	1835.925362	2467.40503	1970.814771	1715.357713	2645.341115	1869.399964	1565.537967
2.75_281.0989m/z	281.0988549	2.754933333	neg	S-aminomethyldihydrolipoamide	LMFA08010025	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	*		36.8	1.1	M+FA-H	C9H20N2OS2	-4.460948281	11234.41027	11293.62142	11987.43909	13317.05327	10316.35673	13058.51828	13753.82123	9831.453291	10493.35905	11522.65387	12607.98133	11236.14382	14216.41524	12125.6733	10086.7415	10312.83111	9775.119746	11954.92836	11769.87252
2.75_346.0463m/z	346.0462663	2.754933333	neg	N-Acetyl-D-galactosamine 6-sulfate	66146	Unclassified	Unclassified	Unclassified			36.8	0	M+FA-H	C8H15NO9S	4.356100028	4189.414521	4323.323005	3708.010039	4956.137781	3651.392512	4839.837889	4688.47879	3145.642071	3298.932829	4117.783985	4219.016908	3110.331374	4932.948607	4237.868752	3601.487759	3785.892497	3661.082971	4486.274438	4465.412206
2.76_159.0545m/z	159.0544674	2.763916667	pos	4-Hydroxyaminoquinoline N-oxide	66103	Unclassified	Unclassified	Unclassified			36.8	0	M+H-H2O	C9H8N2O2	-4.667874445	1444.609457	1428.784433	1878.489723	2045.062091	1498.386689	2094.263637	1651.196624	1285.908179	1731.566437	1830.620402	1847.459044	1653.182802	2067.23019	2026.109168	1663.424144	1738.427233	1536.746067	1924.719389	1445.645814
2.97_281.1118m/z	281.1117706	2.966683333	neg	Promazine N-oxide	2133	Unclassified	Unclassified	Unclassified			36.8	0	M-H2O-H	C17H20N2OS	-0.075288991	612.7527232	777.4591722	674.9760508	564.2380087	1252.498309	675.935397	1277.189285	287.5859189	286.1241685	1186.831874	918.5098526	235.5460911	1080.171404	1019.577826	1146.98498	876.5471882	947.6959409	497.9133197	1012.478652
3.42_335.1996m/z	335.1995645	3.415166667	pos	13S-HODE	LMFA02000228	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	**	C14762	36.8	7.55	M+K	C18H32O3	4.25854865	678.4297128	805.3354061	750.2269366	1208.357197	723.6904224	557.5530176	757.7516518	729.679277	869.2890683	709.4507641	826.277407	988.7227046	1158.724484	861.1603328	206.1769768	559.7775657	945.9046985	502.6976403	934.1232885
3.66_370.1482m/z	370.1481572	3.65935	neg	Diphemanil Methylsulfate	85422	Unclassified	Unclassified	Unclassified			36.8	0	M-H2O-H	C21H27NO4S	-0.208120904	797.8804667	792.2607355	765.220107	147.7458761	1108.391016	818.6387051	196.9173131	4679.604153	2605.425733	464.8809019	109.9591788	1450.932851	125.7179277	0.000297236	143.8937056	90.11210431	0.000297236	0.000297236	182.25081
3.72_259.0756m/z	259.0756484	3.721766667	neg	Methyl bisnorbiotinyl ketone	HMDB0004822	Organoheterocyclic compounds	Thienoimidazolidines	Unclassified			36.8	0	M+FA-H	C9H14N2O2S	-0.715571758	306.2549292	349.2872633	399.6731769	451.7924891	257.4641696	306.6414949	250.3628319	408.2643192	364.4335076	319.2516119	283.3358683	681.1285649	350.6883208	332.8456522	323.0888665	396.6784566	312.0397989	381.9475355	405.8060923
3.83_545.3306m/z	545.3306157	3.829583333	neg	3-O-Mycarosylerythronolide B	63709	Unclassified	Unclassified	Unclassified			36.8	0	M-H	C28H50O10	-4.586241817	690.5488973	400.3488725	515.6620401	173.8779963	831.9687241	850.573328	1160.259744	167.3973871	528.7486179	1054.367224	852.4949346	185.4886435	1194.647739	750.9172747	558.8306591	254.6163548	744.0760809	291.8669717	614.2416765
3.91_251.1387m/z	251.1387036	3.91085	pos	"N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enimidic acid"	HMDB0139613	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	***		36.8	0	M+H	C13H18N2O3	-1.26039123	239.0010373	245.2730073	332.555168	143.0144833	609.1382832	1718.445331	44.72867564	44.80496633	0.000297236	1754.741987	0.000297236	36.92293642	112.7794863	0.000297236	0.000297236	41.59733207	0.000297236	61.24375569	59.03507412
3.91_301.1136n	282.0957999	3.912883333	neg	Triphenylpropargylphosphonium	85162	Unclassified	Unclassified	Unclassified			36.8	0	"M-H2O-H, M-H"	C21H18P+	-3.225253709	2818.364388	3081.396645	2895.388321	2449.865481	5000.82337	2775.435414	2799.599416	5840.532295	5001.81375	2751.219463	2044.742953	3605.656473	3030.734286	3065.149711	2526.876617	1971.39774	2452.344535	1734.317632	3739.479023
3.91_733.0845m/z	733.0845224	3.91085	pos	3'-O-(4-Benzoyl)benzoyl ATP	69676	Unclassified	Unclassified	Unclassified			36.8	0	M+NH4	C24H24N5O15P3	3.526892035	11010.70593	6574.51738	7781.221805	6006.807111	7670.91711	6481.917295	5211.25455	16799.79127	21353.9441	3120.239117	13235.15254	11901.46436	4065.743362	5871.127575	2894.53481	6191.989126	6408.596465	5238.901927	2899.280498
3.96_203.0915m/z	203.0915496	3.9553	neg	"Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate"	66217	Unclassified	Unclassified	Unclassified			36.8	0	M-H	C9H16O5	-4.642607615	336.2508806	369.6975569	420.0529516	330.5695996	358.8486281	480.9046943	353.5761802	635.5148013	472.0412018	302.6107402	259.365876	353.3173593	373.4729402	316.1183462	389.2544368	276.8027145	299.4149406	306.961097	237.7688546
4.14_324.1564m/z	324.1563785	4.140466667	neg	Oxamniquine	HMDB0015228	Organoheterocyclic compounds	Quinolines and derivatives	Nitroquinolines and derivatives		C07341	36.8	0	M+FA-H	C14H21N3O3	-0.415198038	307.5337687	388.596175	403.2750435	454.1855693	310.5963766	855.8192049	82.60988179	172.5226391	231.4891524	603.0395181	251.0952631	339.6263306	0.000297236	0.000297236	698.0278807	1001.988892	1276.019666	635.4639006	55.29622177
4.18_266.1385m/z	266.1385091	4.1837	pos	ANISOMYCIN	43970	Unclassified	Unclassified	Unclassified			36.8	0	M+H	C14H19NO4	-0.661476517	477.8948501	619.9375429	534.0499344	464.279751	333.085857	1638.324302	330.7581766	173.6539307	584.9077494	624.1302255	425.2966867	337.2612428	342.1689456	333.7196829	359.2590083	103.5452112	659.5907316	320.5104571	103.9630613
4.25_216.0482m/z	216.0481756	4.246833333	neg	Carboxin	68941	Unclassified	Unclassified	Unclassified			36.8	0	M-H2O-H	C12H13NO2S	-2.905475482	544.9488684	549.8182945	588.3525573	389.4002717	585.0485355	424.912038	556.8811365	825.4350216	919.3013371	398.535858	582.6683531	641.303905	621.5886424	686.8524583	552.8910663	417.155036	417.2986953	326.165329	672.8139585
4.70_597.3039m/z	597.3038813	4.696333333	pos	Salannin	67197	Unclassified	Unclassified	Unclassified			36.8	9.48	M+H	C34H44O9	-3.233490504	6231.755766	5530.776015	6773.91864	6106.263399	3833.07582	5231.212604	6123.503677	2690.590572	3933.034674	5566.952218	7455.997008	4692.98427	5342.454839	5564.737036	5869.279589	7133.133726	8689.117773	8774.192382	6645.119038
5.06_354.0969m/z	354.0968514	5.0602	neg	Lunamarine	68519	Unclassified	Unclassified	Unclassified			36.8	0	M+FA-H	C18H15NO4	-4.721550452	423.9327784	263.6510589	445.3434919	327.2962487	409.6917525	187.7807769	440.7057	957.5717604	620.0034874	203.0418914	348.5163515	383.93021	276.5910369	425.6728003	449.1215115	217.7208302	340.1513442	222.9954652	404.9089604
5.90_226.1442m/z	226.1442404	5.899433333	neg	"2-Hexyl-4,5-dimethyloxazole"	HMDB0037895	Organoheterocyclic compounds	Azoles	Oxazoles			36.8	0	M+FA-H	C11H19NO	-3.459386083	81.51765881	85.85774286	56.38831852	111.7672969	47.32615545	22.82375641	64.95053902	69.49957776	89.69581539	163.1910383	95.91535929	21.48139383	76.78967629	83.80575652	78.77246784	86.9370644	25.78580229	70.00022556	68.17094037
6.10_351.1812m/z	351.1811816	6.102316667	neg	N-Hydroxyl-tryptamine	63561	Unclassified	Unclassified	Unclassified			36.8	0	2M-H	C10H12N2O	-4.168151959	220.3153371	159.0287773	178.6663713	104.4929172	104.4854425	95.95154232	55.56740231	0.000297236	114.8308432	90.86175422	161.1963829	381.3881936	105.743837	261.9410399	113.5853787	94.2256553	75.52602406	62.50754306	385.8980714
6.55_634.2645m/z	634.2645061	6.550633333	neg	CAY10633	64757	Unclassified	Unclassified	Unclassified			36.8	0	M+FA-H	C34H39NO8	-2.144967744	485.8310893	599.3168106	542.4190521	97.07140027	130.7590141	452.7828052	0.000297236	0.000297236	460.4941465	284.0179202	93.56915335	0.000297236	87.87905867	0.000297236	6322.12544	130.1376445	201.9870507	1385.838008	110.0988898
6.89_244.1362m/z	244.1361579	6.888566667	pos	3-[(2-Methyl-3-furanyl)thio]-4-heptanone	92126	Organosulfur compounds	Thioethers	Aryl thioethers			36.8	0	M+NH4	C12H18O2S	-1.850682323	1880.80554	2217.760049	1617.677223	1234.789941	3061.032007	1927.221878	2663.528042	918.4248724	1254.956083	2667.648889	1687.216153	597.093873	2217.363056	2460.903438	2199.225328	2442.001498	2045.363191	1249.223753	1604.463083
6.93_187.1563m/z	187.156325	6.9276	pos	MAHMA NONOate	62981	Unclassified	Unclassified	Unclassified			36.8	0	M+H-H2O	C8H20N4O2	4.83619163	1769.201238	1763.153568	1893.789721	1571.130831	2162.613603	3253.610063	1532.715616	1947.351142	1525.118332	2488.935134	1519.36573	1331.864962	1737.816494	1972.503474	1541.144753	1340.689811	1619.987232	1820.840455	1843.711858
7.05_223.1325m/z	223.1324526	7.049883333	pos	Isoamyl p-anisate	HMDB0038894	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives			36.8	0	M+H	C13H18O3	-1.882969232	2262.766329	2091.794878	2200.073179	2219.986831	1899.781353	2160.03892	1915.109339	1757.778491	1956.567694	2011.487987	1949.105571	2013.313705	2059.165572	1747.710196	2281.417323	1889.887869	1842.697147	2087.29185	2089.339316
7.28_423.2369m/z	423.2368744	7.281783333	neg	Pravastatin	LMFA05000695	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives	**	C01844	36.8	0	M-H	C23H36O7	-4.602763478	952.7663106	985.0010707	1050.729579	1847.517695	388.3225359	890.9628563	853.8250299	1169.157093	661.8219315	471.2659932	932.0549285	851.3206859	1090.227535	1737.217496	1473.30993	981.9296757	1356.248337	1162.770538	1949.055169
7.81_223.1325m/z	223.1325091	7.812233333	pos	3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid	HMDB0140967	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		36.8	0	M+H	C13H18O3	-1.628513412	1230.041399	1102.128888	1087.321989	1008.97657	1249.961875	1232.828421	1090.472807	1156.22922	1121.324941	1152.58996	1147.17785	1206.298	1169.978614	1167.940172	1261.833703	1100.049691	1002.827676	1023.589616	1137.411671
8.51_226.1443m/z	226.1442625	8.5067	neg	5-Butyl-4-methyl-2-propyloxazole	HMDB0037896	Organoheterocyclic compounds	Azoles	Oxazoles			36.8	0	M+FA-H	C11H19NO	-3.337770873	224.9353207	200.1238406	194.028134	161.6268835	292.8276986	273.2243106	152.889025	109.8873008	221.6675838	317.1048382	209.3567636	78.90611783	341.9796942	342.3745896	137.7707743	202.8605519	289.4718968	142.2684345	300.6868414
0.21_225.1845m/z	225.1845193	0.2131	pos	Linalyl isobutyrate	86967	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		36.7	0	M+H	C14H24O2	-1.726797117	2169.953192	3142.843235	2838.659027	2366.648285	2864.123694	2884.850326	2882.694072	3255.220322	2835.976147	2674.405736	2861.164169	2791.980483	3153.214862	3207.49737	3036.374678	3541.885092	3197.022486	3223.633549	2500.655424
0.44_388.0115m/z	388.011485	0.435666667	neg	O-Desmethyloxotolrestat sulfate	2884	Unclassified	Unclassified	Unclassified			36.7	0	M-H2O-H	C15H12F3NO7S	1.643033718	18208.53981	17698.21989	17328.67666	16953.52016	17594.88049	16895.49732	18235.11014	17244.88574	16785.63589	17830.95388	17290.98171	18081.48036	17886.45355	18580.25112	17816.31153	17520.8016	16892.69153	17558.28007	17067.25434
0.62_375.1384m/z	375.1384171	0.623133333	neg	Desmethyl methotrimeprazine 5-sulfoxide	1194	Unclassified	Unclassified	Unclassified			36.7	0	M+FA-H	C18H22N2O2S	0.046265335	5319.207892	6076.265883	5699.577676	7014.516812	5788.091923	6695.7846	4412.629136	4621.706682	4377.577855	7409.517501	5653.828261	7421.071497	6023.859007	5740.970069	4450.32452	5551.044878	5220.635551	6443.309381	5511.119919
0.62_559.2193m/z	559.2193159	0.623133333	neg	Nomilin	HMDB0035772	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	*	C08773	36.7	0	M+FA-H	C28H34O9	1.614728768	1574.784763	1727.603239	1578.356761	3932.945551	2665.438594	2278.321233	1696.334042	1255.625683	556.3306986	1583.887095	2666.699803	4329.854072	2533.332581	2164.980331	2477.839386	1404.314259	2648.943769	934.038193	2781.816016
0.64_427.1515m/z	427.1515225	0.643516667	pos	Quassin	LMPR0106110002	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*	C08778	36.7	0	M+K	C22H28O6	-0.577421562	17905.85084	19343.29243	20081.11255	19690.64187	19376.77821	12140.52215	20251.53124	9271.322842	5411.671438	15112.559	22994.11784	20319.60039	23073.8981	17346.3621	26844.75808	26846.00245	22845.0124	26256.48511	20569.22241
0.71_261.0972n	260.0884804	0.712816667	neg	Asparaginyl-Glutamic acid	HMDB0028730	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.7	0	"M-H2O-H, M-H"	C9H15N3O6	4.112895816	22758.67974	22510.79527	19858.4625	11233.75517	40639.54068	25024.01489	35178.4426	18027.7745	14539.7738	35102.67479	20088.76368	8587.031102	32916.06847	26832.54578	40292.32425	18629.62694	30835.00701	9502.421851	19729.7527
0.71_285.1124m/z	285.1124069	0.712816667	neg	"1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne"	HMDB0030881	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		36.7	0	M+FA-H	C16H16O2	-3.43902425	18512.09548	17029.0583	19643.15152	16271.2755	19172.00488	15869.94707	19820.96862	9070.520537	5340.5632	19978.69403	14683.57371	16934.60919	18388.68471	18123.22692	13399.33905	18890.63976	20428.99032	7387.888325	13553.7494
0.71_302.0537m/z	302.0536838	0.712233333	pos	N-Acetylgalactosamine 4-sulphate	5747	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C16265	36.7	0	M+H	C8H15NO9S	-1.145048177	22247.38813	19116.49874	20964.93033	25434.8968	19722.88517	54655.27041	10561.75528	37411.40226	42957.0868	25021.99041	20683.54124	23107.49949	16993.2531	10533.7286	13888.79122	18884.92713	11343.06047	15822.97301	6124.961061
0.71_323.1444m/z	323.1443545	0.712233333	pos	Fortimicin FU-10	71967	Unclassified	Unclassified	Unclassified			36.7	0	M+H-H2O	C12H24N2O9	-1.58045301	20419.37669	22690.81662	16980.88982	23379.06216	12148.05209	20983.96359	18019.18385	14967.67553	15938.54091	17216.44822	20491.11819	10288.55518	17396.86589	15941.46569	17209.77996	19206.96362	17252.24147	21518.47227	14858.03477
0.78_263.0161m/z	263.016052	0.781033333	pos	Demeton-S-methylsulphon	72738	Unclassified	Unclassified	Unclassified			36.7	0	M+H	C6H15O5PS2	-4.109330376	24619.06177	18848.00036	22718.3383	18154.81467	25373.30776	22074.45404	30055.13207	16562.33841	14657.3906	23713.46397	22352.81057	18271.49446	25968.41078	22550.42176	24929.56315	23838.6322	24979.88983	16913.28683	19150.7425
0.80_235.0389m/z	235.0388998	0.801	neg	5-L-Glutamyl-taurine	HMDB0004195	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C05844	36.7	0	M-H2O-H	C7H14N2O6S	-2.031954951	2507.548609	2370.706091	2435.366369	2023.21006	2926.152415	3331.836517	1320.624035	4222.946713	4294.1451	2862.738717	1590.732087	3437.173149	2371.514913	1525.34942	1758.074958	1849.235606	1696.769928	1077.855089	2578.120385
0.90_201.0483m/z	201.0483134	0.898616667	neg	4-Hydroxylevamisole	727	Unclassified	Unclassified	Unclassified			36.7	0	M-H2O-H	C11H12N2OS	-3.996469744	940.5509396	839.2121712	984.0925524	793.7042163	1169.796321	583.9566563	909.013041	713.582331	576.4124485	871.8703737	1024.433081	766.0504835	803.0182638	926.448508	1198.181035	1454.974494	1299.82703	1640.028121	1053.890583
0.92_352.0885m/z	352.0885068	0.919466667	neg	(S)-Succinyldihydrolipoamide	HMDB0001177	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C01169	36.7	0	M+FA-H	C12H21NO4S2	-2.918496714	1619.363814	2284.675007	1607.004232	1240.446886	1274.059225	1633.758444	1520.331762	565.0057578	627.4316763	2122.058753	1557.341831	1370.64453	1486.056681	918.9571456	1341.053622	714.5263611	1185.34095	564.1776505	1818.729759
0.98_394.9713m/z	394.971335	0.9796	neg	"[2,6-dihydroxy-3-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid"	HMDB0129448	Phenylpropanoids and polyketides	Flavonoids	Flavones			36.7	0	M-H2O-H	C15H10O12S	-0.29135666	1312.615478	1790.811343	1402.433602	1319.298418	1427.792723	1243.395412	1281.075476	712.8885255	1263.321095	1568.694915	1434.040838	1397.001032	1735.527681	1442.474967	1430.406437	1241.455318	1206.993047	1346.791771	1456.389769
1.06_310.0961m/z	310.096071	1.063433333	neg	N-(1-Deoxy-1-fructosyl)methionine	HMDB0037841	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.7	0	M-H	C11H21NO7S	-1.689330693	5351.509947	9000.870395	8449.572017	7370.988937	8145.114255	7318.900376	7262.042713	13642.78161	14544.80881	6868.971568	5835.734044	8336.991227	5638.592284	7171.788307	6092.939464	7258.021999	4715.025761	6480.410079	5701.994509
1.08_376.0655m/z	376.0654715	1.081483333	neg	Deoxyadenosine monophosphate	HMDB0000905	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine deoxyribonucleotides	**	C00360	36.7	0	M+FA-H	C10H14N5O6P	-2.722133489	6680.808226	8653.606249	7522.80809	11758.55941	7523.081228	9620.110657	10286.71466	10235.06348	3813.251836	4500.524178	6969.32165	8126.305846	5555.334103	6373.690157	8384.10031	9696.077806	7139.31016	8812.378262	9558.307053
1.14_198.9641m/z	198.9641497	1.13945	neg	"2,3-dihydrothieno-Thiadiazole Carboxylate"	45410	Unclassified	Unclassified	Unclassified			36.7	0	M-H	C6H4N2O2S2	0.033650388	396.3108995	406.6351638	321.2297745	425.0479816	274.6762756	441.8917454	318.7099017	373.5616759	318.5129627	372.3075372	266.5219559	337.0458267	235.3784595	230.1148842	317.1195349	304.6951597	393.3404241	253.1615694	280.9260712
1.18_310.1507m/z	310.1507341	1.1797	neg	Hydroxyethylpromethazine	HMDB0240229	Organoheterocyclic compounds	Benzothiazines	Phenothiazines			36.7	0	M-H2O-H	C19H25N2OS+	-0.559710369	1725.198523	1711.133941	2189.894886	2072.796818	2248.828125	2516.626279	1700.277565	2009.778039	1267.121007	2345.028061	2235.502433	2359.672183	1781.36862	2322.076475	1852.572704	1858.438334	2140.649333	2425.469995	3288.401158
1.18_318.9995m/z	318.9995426	1.1797	neg	2-hydroxy-4- (methylthio) butyric acid Calcium salt	44706	Unclassified	Unclassified	Unclassified			36.7	0	M-H2O-H	C10H18CaO6S2	0.924432668	9830.505404	11209.8306	10963.60529	11580.41831	11108.68205	10507.40891	10478.15202	11571.13039	12156.86895	10637.2529	12165.75088	11150.02569	11107.70899	10873.58555	10486.40075	10819.96467	11850.36916	11557.03581	12750.51685
1.26_569.2211m/z	569.2210899	1.25845	pos	Citrusin B	93822	"Lignans, neolignans and related compounds"	Lignan glycosides	Unclassified			36.7	0	M+H	C27H36O13	-3.128605723	13205.1801	9994.429678	10111.66549	13103.95705	7013.9472	13151.9338	13617.58995	10827.05485	10311.87891	5634.70396	14756.27128	4783.458453	7236.256034	6523.451198	10266.32952	7538.270325	10182.13671	9107.946321	8407.470837
1.30_198.0374m/z	198.0374422	1.297066667	neg	Thiolanilide	96349	Unclassified	Unclassified	Unclassified			36.7	0	M-H2O-H	C12H11NOS	-3.923894638	26476.444	19568.98435	20255.77679	17390.70128	22290.46943	17837.26033	21905.97014	31014.83694	28268.31915	19558.81484	22102.68326	27823.70716	22443.94008	21740.48488	16849.49166	16749.75757	15144.5356	18608.43624	23033.98944
1.30_248.0029m/z	248.0029279	1.297066667	neg	AS-041164	45574	Unclassified	Unclassified	Unclassified			36.7	0	M-H	C11H7NO4S	2.512508267	5655.772812	3940.977582	4584.897698	9754.271667	2636.57516	1410.972727	5001.179633	536.5372085	817.8744502	1795.241034	8099.129218	3222.761446	7895.702352	6355.240773	6827.857128	6031.811471	6219.20023	9904.354088	4990.758693
1.32_545.1680m/z	545.16803	1.317533333	neg	GW1843	69023	Unclassified	Unclassified	Unclassified			36.7	0	M+FA-H	C27H24N4O6	0.485009168	1953.32648	1371.083161	1354.773968	697.8835195	809.4091577	271.196559	634.0162346	1301.193739	470.7611432	711.2568543	1496.56754	1770.327475	1463.117706	2190.720189	1465.428986	1028.812924	1367.662065	1114.551407	1897.629471
1.38_226.0644m/z	226.064433	1.37855	neg	5'-Deoxy-5-fluorocytidine	HMDB0060405	"Nucleosides, nucleotides, and analogues"	5'-deoxyribonucleosides	Unclassified	**	C16635	36.7	0	M-H2O-H	C9H12FN3O4	4.447704803	439.8430638	656.6857865	659.9463689	783.669216	1274.932755	1445.629426	758.9802715	631.8369713	420.0438381	1069.483241	849.1099951	238.562535	542.3535676	609.6568825	719.9420475	749.6454689	793.74053	549.4804355	924.2880861
1.42_422.2131m/z	422.2130698	1.417983333	pos	Candoxatrilat	69177	Unclassified	Unclassified	Unclassified			36.7	0	M+Na	C20H33NO7	-4.642072219	8162.773302	9990.164326	8092.803445	13965.59892	7812.864768	5800.803927	8186.028418	6641.078167	4995.371244	4651.605687	7910.235482	5880.392814	7596.418768	7811.845413	13999.19814	11049.47295	9867.667522	11342.04174	7689.156576
1.48_131.0703m/z	131.0703456	1.4757	pos	3-Methyl-2-oxovaleric acid	HMDB0000491	Organic acids and derivatives	Keto acids and derivatives	Short-chain keto acids and derivatives	*	C03465	36.7	0	M+H	C6H10O3	0.576432423	23345.2298	21629.62733	23057.38277	21664.92101	20889.87003	23074.30465	22223.52055	23248.53717	24265.65798	22936.9953	22870.93342	25101.77566	21488.35836	22489.61986	23141.73588	22746.36996	22648.99006	22277.60715	21305.37801
1.49_251.0465m/z	251.0465011	1.494983333	pos	"trans-9(S),10(S)-Dihydrodiolphenanthrene"	69032	Unclassified	Unclassified	Unclassified			36.7	0	M+K	C14H12O2	-1.822677543	3588.696086	2909.547966	2978.513583	3561.347094	2925.102453	2864.558337	3445.726249	3448.721282	3292.91126	3229.768735	3664.091197	2874.536709	3138.803711	2889.079316	3031.690075	3169.557917	2971.021235	3149.42321	3001.634796
1.59_403.1470m/z	403.1470001	1.59115	neg	AM1235	85063	Unclassified	Unclassified	Unclassified			36.7	0	M-H	C24H21FN2O3	1.622661339	2492.330947	2320.015813	2625.764994	2029.091682	2803.143225	2781.698052	2378.103875	2613.911921	2783.555033	2312.408914	2117.942059	3233.454515	2264.014477	2361.095215	1743.814016	1648.392657	2003.821345	1846.432686	2417.028862
10.30_651.2981m/z	651.2981315	10.29878333	pos	Neomycin C	1487	Unclassified	Unclassified	Unclassified			36.7	0	M+K	C24H48N6O12	3.188528332	7573.201254	6909.797429	7474.88308	8850.218052	7715.027925	9398.585475	8983.227341	6654.484273	8335.476364	5662.156727	6366.457975	6607.464676	8298.885041	8046.996036	9997.086442	9322.625654	8273.71104	9533.797506	8467.873204
10.36_561.0172m/z	561.01716	10.36035	neg	UDP-L-iduronate	62923	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine nucleotide sugars	**	C02330	36.7	0	M-H2O-H	C15H22N2O18P2	1.234351305	56051.78669	52311.65803	50997.38246	56816.6965	56775.22719	53347.15376	53636.33735	52373.74023	55966.44142	56236.57595	57429.79027	54328.16934	59026.54811	54671.15048	58005.26275	57951.82475	56192.9405	55451.5525	52718.11378
10.74_547.0217m/z	547.0217479	10.74271667	neg	Isoferulic acid 3-sulfate	HMDB0041748	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			36.7	0	2M-H	C10H10O7S	-0.771742596	14011.14884	12538.19734	13630.38658	12718.87816	11558.16976	11567.1078	13454.74328	13969.51858	13250.55397	12556.7464	12198.8215	11994.59769	12788.98885	12822.9295	13007.73434	11963.97642	12453.83868	13349.75369	12542.71609
10.85_618.2112m/z	618.2111514	10.84901667	neg	"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}-2-hydroxy-2-(4-hydroxyphenyl)ethyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid"	HMDB0129017	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.7	0	M-H	C29H37N3O10S	-2.483118658	1180.081208	1851.170711	1711.13597	2721.168889	3140.318982	1923.023143	2432.939095	2041.528308	1585.45603	2739.72507	1416.211225	1978.412803	2270.150783	2011.559195	1798.663574	2556.048852	1915.446858	2423.546633	1632.713495
11.04_806.4974m/z	806.4973701	11.04015	neg	"PE(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	LMGP02011216	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		36.7	0	M+FA-H	C43H72NO8P	-0.509076928	113978.3789	90645.76436	93222.78734	96284.58518	86781.15379	93748.07633	90450.81689	101393.4706	98008.20527	105180.319	108554.2901	95212.96535	38028.88026	126593.5797	109978.6824	83065.9839	82717.69884	98013.76681	88412.47559
11.23_307.1066m/z	307.1066079	11.23123333	pos	Dihydroxymelphalan	1126	Unclassified	Unclassified	Unclassified			36.7	0	M+K	C13H20N2O4	4.261367105	3922.881014	3152.772377	3869.605833	4907.089756	7215.685904	6671.258365	4367.778663	3319.085635	2092.82806	3686.354587	4470.489992	2613.662554	1796.3679	1804.081493	4755.687437	4905.581808	5141.778129	6457.883072	4980.384033
11.57_369.0354m/z	369.0353593	11.57193333	neg	Arabinose Uridinemonophosphate	684	Unclassified	Unclassified	Unclassified			36.7	0	M+FA-H	C9H13N2O9P	3.980533027	1012.801461	1362.143463	1229.080521	1104.158418	1381.865692	1294.096161	1152.132324	1074.647229	1424.428215	1520.257288	572.6324095	965.0467078	1282.300175	851.3246837	1187.035137	1341.927942	1137.859839	1298.746706	1168.235431
11.62_627.5337m/z	627.5336883	11.62495	pos	"DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0)"	HMDB0007118	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	*		36.7	0	M+H-H2O	C41H72O5	-1.549788074	29115.9385	29741.60032	42902.20154	49795.25424	46571.50974	45444.27171	31264.05644	26765.76024	19680.66787	17346.63364	21914.23467	34396.75373	30863.27288	38572.44061	38859.26365	39408.37824	39429.26496	32389.65934	37435.3926
12.02_788.5798m/z	788.5797615	12.01765	neg	PC(18:1(9Z)/P-16:0)	59572	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C00157	36.7	0	M+FA-H	C42H82NO7P	-1.791232084	47699.43429	37512.25584	51318.61678	44157.70566	45709.77808	40559.29092	44829.56215	49901.98955	41600.15446	36276.8919	43113.09552	73470.90938	80823.22566	48893.79554	37192.49123	40873.02057	22222.20325	32555.70236	41380.49426
12.03_632.3431n	650.376944	12.03346667	pos	"16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester"	45607	Unclassified	Unclassified	Unclassified			36.7	0	"M+NH4, M+Na"	C37H48N2O7	-4.797003835	1249.133249	1174.777264	732.3554687	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	810.1859146	0.000297236	0.000297236	693.3350849	0.000297236	88223.4733	10507.74638	0.000297236
12.59_656.4284n	701.4267459	12.58548333	neg	Enalkiren	66653	Unclassified	Unclassified	Unclassified			36.7	0	"M-H, M+FA-H"	C35H56N6O6	3.506773134	8405.210118	7150.605185	6460.683999	8172.3019	7481.581954	7070.681057	7501.294873	5334.27529	8756.232715	9230.039032	8948.975281	7763.090838	8118.223226	6905.649569	9192.523353	7457.243893	12214.10958	12131.32677	9165.833993
12.88_561.3576m/z	561.3576277	12.87805	neg	PA(12:0/14:1(9Z))	81210	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates			36.7	0	M-H	C29H55O8P	2.576173439	2821.058285	3151.998518	2953.351294	1793.668898	4617.368044	2013.241506	3264.256536	3537.274348	4637.014431	2519.477003	4206.269356	1102.72859	2522.881972	2351.410048	1854.034092	1995.699196	1135.45676	1241.458239	1598.896762
13.01_517.3495m/z	517.3494697	13.00628333	pos	28-Homobrassinolide	HMDB0030423	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroid lactones	*		36.7	0.515	M+Na	C29H50O6	-0.99180173	41664.56659	63179.05497	40769.14591	35077.41883	40147.76278	39885.17669	40858.67527	41103.42504	41774.73738	33675.19522	39562.30314	59648.17103	49023.83697	47628.78278	47734.56756	51386.31	51550.27279	47465.5628	47645.2809
13.32_547.0196m/z	547.0195627	13.31625	neg	3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid	HMDB0127955	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			36.7	0	2M-H	C10H10O7S	-4.759190159	6971.24008	6284.708199	4673.927067	7291.804119	6512.772883	4525.891554	8020.770614	7237.278799	6755.808998	6437.740087	7458.992195	6336.243711	5214.738911	5199.433357	4080.817327	7945.692121	7208.754466	6818.089754	7380.269867
13.65_327.2538m/z	327.2538188	13.6477	neg	TMPD (hydrochloride)	63057	Unclassified	Unclassified	Unclassified			36.7	0	2M-H	C10H16N2	-4.879675989	185.436691	289.2772658	221.6955414	147.5888541	0.000297236	205.4141685	372.2331176	0.000297236	0.000297236	260.6267937	0.000297236	191.8621143	318.3408753	0.000297236	526.6754138	431.3399321	394.2688818	0.000297236	413.982778
15.70_126.0741m/z	126.0740851	15.69795	pos	1-Isothiocyanato-4-methylpentane	93126	Organosulfur compounds	Isothiocyanates	Unclassified			36.7	0	M+H-H2O	C7H13NS	3.515234789	3999.913084	3777.761637	3616.850734	3650.753083	3621.03205	4028.30529	3810.454166	3638.159737	3875.358837	4170.267459	3865.822193	3564.43659	3765.909674	3536.798923	4237.436439	3756.051992	4005.615344	3676.15734	3555.002231
15.76_203.1426m/z	203.1426423	15.75651667	pos	(±)-Anisoxide	87068	Organoheterocyclic compounds	Coumarans	Unclassified			36.7	0	M+H	C14H18O	-1.975537119	7539.461715	6710.936373	7103.551949	7337.988512	7949.193654	8206.675056	8170.791715	8090.005744	8180.623494	8141.093466	8534.96876	7658.989919	8052.495624	7559.292598	7390.381275	7798.684691	7252.839133	7872.091802	7802.312791
2.05_446.0651m/z	446.0651487	2.054766667	neg	5-Hydroxylansoprazole sulfone	923	Unclassified	Unclassified	Unclassified			36.7	0	M+FA-H	C16H14F3N3O4S	3.077354065	5413.379352	3999.516993	4957.509686	4575.386077	4321.112987	4259.581792	4636.206138	4374.214249	3575.4157	4188.006687	6053.502017	4456.084533	5715.216691	4136.757149	5249.781585	4282.140584	5512.887955	4788.417238	5506.444058
2.25_560.0948m/z	560.0947544	2.24635	neg	Coenzyme F420-0	72893	Unclassified	Unclassified	Unclassified			36.7	0	M+FA-H	C19H22N3O12P	4.740406002	605.5599428	693.0895186	569.3287549	415.3965733	578.5266604	1464.452366	305.5247537	2439.174126	1466.256099	683.3483849	247.0474487	272.3671706	175.4647909	260.3362226	179.7777698	122.6572967	132.3643155	150.9530515	391.721971
2.31_147.0843m/z	147.0843319	2.3126	pos	S-Methyl 4-methylpentanethioate	94040	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl thioesters	*		36.7	0	M+H	C7H14OS	3.55564274	415.2619847	561.2488638	494.2270966	220.6706105	1056.665265	265.5924963	196.6438967	1576.294277	1216.358728	328.1200199	204.839675	386.1672138	390.145116	556.484644	484.2168587	319.0266626	407.9541179	343.9556503	354.4818737
2.67_391.0712m/z	391.0712499	2.669566667	neg	2-hydroxy-3-[3-(4-hydroxy-3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid	HMDB0133270	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			36.7	0	M+FA-H	C14H18O8S	2.336107288	979.1861069	1136.273415	936.8183289	394.416643	1687.639806	563.2527818	1612.955681	0.000297236	110.5708366	1481.503648	846.6910211	71.87676151	1445.80338	2059.166852	1327.373285	1211.957091	1232.038148	653.9873294	954.3088265
3.64_623.0168m/z	623.0168089	3.640283333	neg	"[7,8,8,12,13,21-hexahydroxy-19-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.1?,??.0?,?.0??,??]tricosa-4,10,12,14-tetraen-22-yl]oxidanesulfonic acid"	HMDB0126659	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins			36.7	0	M+FA-H	C20H18O18S	-4.807318942	11138.21735	9493.774403	11716.14265	11216.5774	11317.78581	11260.61687	10552.70073	9071.914013	9672.548985	11690.34695	10693.29412	8668.216582	9621.113749	10584.31687	13986.98605	12314.90504	10954.81473	8942.94163	8588.614368
3.70_295.1273m/z	295.1272832	3.70115	neg	Desmethylmethotrimeprazine	1190	Unclassified	Unclassified	Unclassified			36.7	0	M-H2O-H	C18H22N2OS	-0.509423214	3369.676127	3593.828268	3767.840069	3190.971288	3944.702722	4511.852691	3780.441493	3870.682278	2393.864517	4652.389379	3400.06584	2141.11368	3331.936922	2891.675932	3427.25542	3755.837317	3832.313613	3908.43716	4190.256353
3.72_368.1563m/z	368.1563401	3.72035	pos	Minoxidil-O-glucuronide	1320	Unclassified	Unclassified	Unclassified			36.7	0	M+H-H2O	C15H23N5O7	-0.310828681	4855.847565	5201.446291	5554.013911	6417.704004	4568.582694	4994.246648	4505.28675	5002.164385	5425.846292	4342.841245	4936.754869	8516.606068	4711.173253	6919.576794	5203.878129	6214.052504	4711.72087	5485.472135	5376.722344
3.96_337.0543m/z	337.0543409	3.9553	neg	AICAR	HMDB0001517	"Nucleosides, nucleotides, and analogues"	Imidazole ribonucleosides and ribonucleotides	1-ribosyl-imidazolecarboxamides	**	C04677	36.7	0	M-H	C9H15N4O8P	-3.35081625	356.151615	295.134478	362.0334056	441.7494895	1.974242958	7.524842999	522.2365452	177.6302925	215.920134	137.0232634	303.736666	1286.749496	131.2767561	860.6576842	824.9827951	480.2886767	687.4705649	240.5874963	184.6205927
3.96_451.0711m/z	451.0711088	3.9553	neg	(Z)-Resveratrol 3-glucoside 5-sulfate	92050	Phenylpropanoids and polyketides	Stilbenes	Stilbene glycosides			36.7	0	M-H2O-H	C20H22O11S	1.419800924	2408.084995	2134.560938	2023.618599	1985.500717	2599.905008	2196.419547	1683.193965	3018.968369	3008.089259	2319.754195	1998.546459	2685.616791	2400.704691	1964.346369	2267.664661	2119.934629	2103.603401	2382.808269	2422.762967
4.04_349.0540m/z	349.0540284	4.038033333	neg	Taxifolin	HMDB0125371	Phenylpropanoids and polyketides	Flavonoids	Flavans	***		36.7	0	M+FA-H	C15H12O7	-8.147203834	558.8423796	531.2422253	646.0070953	575.7934361	395.1346412	622.3334412	444.2874547	0.000297236	0.000297236	1104.879104	507.8417364	0.000297236	584.9374653	478.5543045	534.5524312	392.8328265	623.7561867	483.7005855	465.7446127
4.16_409.1712m/z	409.1712166	4.161483333	neg	S-methyl-L-Thiocitrulline (hydrochloride)	44315	Unclassified	Unclassified	Unclassified			36.7	0	2M-H	C7H15N3O2S	3.65090107	383.8963688	306.5732877	304.2128251	79.23991779	103.2739329	59.15958477	81.79184193	1746.62712	1740.233062	0.000297236	0.000297236	460.7267599	0.000297236	54.84243615	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
4.33_153.0180m/z	153.0180245	4.330283333	neg	Gentisic acid	HMDB0000152	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	***	C00628	36.7	0	M-H	C7H6O4	-8.490618324	587.3626123	565.647026	564.7009084	529.490877	546.045395	696.0711184	478.1963627	510.4919983	385.2939039	732.7374218	556.3289746	556.4476305	478.7374004	410.812095	512.6126807	548.845739	464.174221	462.1371352	371.7609297
4.35_223.1324m/z	223.1323862	4.346933333	pos	1-Hydroxyibuprofen	HMDB0060565	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified			36.7	0	M+H	C13H18O3	-2.181901741	5241.296179	5002.494223	5367.115632	5398.594607	4939.858794	5318.489279	4632.948633	5248.598487	5662.676685	5170.715872	4953.315977	5437.828959	4969.848062	4760.282511	5711.13776	5215.95531	5012.073016	5017.180735	4654.96443
4.35_467.0287m/z	467.0286515	4.351383333	neg	"4-([2,2'-bithiophen]-5-yl)but-3-yn-1-ol"	LMFA12000354	Lipids and lipid-like molecules	Fatty Acyls	Oxygenated hydrocarbons			36.7	0	2M-H	C12H10OS2	2.807633269	636.0388778	776.8720904	813.4250589	264.5526978	228.2874267	278.6609753	380.1420398	177.1700325	2570.079711	486.1826825	335.5410704	1532.063056	2886.002192	489.0281843	442.1305562	231.4925391	1043.188692	489.060237	651.9036897
4.41_420.2199m/z	420.2199038	4.410033333	pos	"L-902,688"	45077	Unclassified	Unclassified	Unclassified			36.7	1.61	M+H	C21H27F2N5O2	-1.560551952	3783.793317	4512.993621	4197.748466	4205.921616	2702.774198	3939.396453	3132.668405	3204.658783	2462.590047	3154.993844	3659.243623	6484.924094	3137.674789	3482.431557	6352.616554	4927.789792	5174.894743	6346.323217	7425.559612
4.44_358.1620m/z	358.1620025	4.4373	neg	AM2201	85065	Unclassified	Unclassified	Unclassified			36.7	0	M-H	C24H22FNO	2.050153504	475.990713	430.9278743	405.101593	44.0746115	53.36290719	59.4086777	139.2574263	2536.809585	1858.322162	0.000297236	56.52411186	1191.636487	70.51123801	87.8565117	0.000297236	77.72991499	109.961905	65.34039555	0.000297236
4.63_189.0017m/z	189.0017298	4.62665	neg	2-Naphthalenesulfonic acid	71144	Unclassified	Unclassified	Unclassified			36.7	0	M-H2O-H	C10H8O3S	0.749200778	663.8118525	749.9468521	629.649128	2308.054967	8.266411045	10.4303206	1157.40084	10.55569388	127.816354	12.63416464	1323.737082	1145.991438	12.0843988	9.837258992	1140.765413	1204.973928	1192.596367	1106.086111	8.223086733
4.72_777.4273m/z	777.427294	4.717383333	pos	Lyciumoside IV	HMDB0033499	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		36.7	0	M+H	C38H64O16	0.74902494	4384.330499	2737.890579	3624.212644	2659.664369	5485.539614	3312.931164	5524.816245	1558.288403	749.8781171	5115.566724	2863.756234	60.29391327	7858.070688	4063.574674	3774.71835	3341.006707	4569.571957	2186.252173	5171.76681
4.76_493.2708m/z	493.2707816	4.759316667	pos	Coenzyme Q4	3909	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	*		36.7	0	M+K	C29H42O4	-1.510600135	687.1255106	617.854693	700.5770584	937.2174348	1045.796384	243.9696109	742.2770775	0.000297236	0.000297236	1088.171049	773.6370162	28.11554374	714.0738692	401.8389596	234.0813678	45.57018571	1008.657248	210.7312038	2175.675442
4.85_343.0839m/z	343.0838957	4.85115	neg	DIACETYLDIDEISOVALERYL-RHODOMYRTOXIN	44068	Unclassified	Unclassified	Unclassified			36.7	0	M-H	C18H16O7	4.560742463	1407.738106	1377.568036	1367.180914	1562.245675	1396.146657	1296.639034	2100.65321	1427.161458	1767.205236	1718.727827	1952.196283	1522.443139	1679.244607	1714.900681	1510.291783	1634.472645	1689.954829	1471.22869	1363.665335
5.00_203.1427m/z	203.1427073	5.003183333	pos	"13-Tetradecene-1,3-diyne-6,7-diol"	94100	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		36.7	0	M+H-H2O	C14H20O2	-1.518854051	2646.652246	2458.956736	2636.583436	2545.596348	2265.064665	2554.581043	2470.922023	2549.890461	2571.936924	2669.390603	2683.425226	2338.511089	2463.567794	2729.453838	2827.730717	2527.63392	2476.262347	2960.850159	2261.109914
5.17_210.0763m/z	210.0762767	5.168066667	neg	6-Maleimidocaproic acid	24061	Unclassified	Unclassified	Unclassified			36.7	0	M-H	C10H13NO4	-4.286322592	243.6184543	277.3743683	254.8146775	498.0533834	172.870151	345.4163175	467.8602514	33.58429374	164.1929418	557.011273	347.3765291	222.4505485	224.3494966	263.4132168	191.0334951	134.0895478	236.8420353	258.075748	233.3953187
5.17_256.0202m/z	256.0202053	5.168066667	neg	Lorcaserin sulfamate	HMDB0061153	Organoheterocyclic compounds	Benzazepines	Unclassified			36.7	0	M-H2O-H	C11H14ClNO3S	-0.892901873	579.5731129	770.5752181	470.9062454	673.1074554	591.8821542	655.7708497	355.6885208	1226.992095	1251.875089	633.6051898	298.587241	1292.979837	377.0780196	533.4960672	572.2287646	454.6981979	334.5539395	576.9690248	465.3403846
5.70_589.3034m/z	589.3034478	5.695966667	neg	I-Urobilin	HMDB0004160	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Bilirubins	**	C05794	36.7	0	M-H	C33H42N4O6	0.489741787	1075.17306	1270.970212	1246.095814	1969.221113	865.3613446	532.0325025	776.2029725	0.000297236	0.000297236	439.6197648	398.8153364	0.000297236	2061.223906	3955.953942	1868.502997	712.1324596	294.9449773	2206.06538	941.8641715
5.84_308.1251m/z	308.1250513	5.835483333	neg	Gamma-glutamyl-Tyrosine	86053	Unclassified	Unclassified	Unclassified			36.7	0	M-H	C14H19N3O5	-0.462401103	431.2594677	372.6686344	324.5171429	449.5364409	257.3214509	776.8247171	104.9862771	334.0011244	263.5613641	347.6438414	400.8637307	460.0814499	225.8459381	314.4095864	380.4472213	299.2678283	270.9634882	579.9339856	465.3380312
6.32_201.1270m/z	201.127039	6.321883333	pos	2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one	92561	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		36.7	0	M+H-H2O	C14H18O2	-1.616261785	419.8065701	332.7930564	292.4778676	436.3578352	385.2656288	407.5975989	419.9694773	384.0972435	318.8065477	152.6870206	380.3460346	282.9327065	342.6397377	321.0559778	341.5408798	278.3638193	308.1974748	202.8665539	357.6961271
7.05_225.1845m/z	225.1845334	7.049883333	pos	Goshuyic acid	93727	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		36.7	0	M+H	C14H24O2	-1.664237847	1344.958612	1348.661433	1369.024307	1452.882679	1075.262662	1206.297983	1249.895533	1220.003466	1612.371506	1322.353289	1493.081415	1106.181692	1352.127745	1194.840187	1621.446977	1408.817401	1327.443163	1215.353265	1303.907219
7.27_450.1930m/z	450.192968	7.271516667	pos	Artocommunol CA	LMPK12111534	Lipids and lipid-like molecules	Polyketides	Flavonoids			36.7	0	M+NH4	C26H24O6	4.290072978	2622.990578	2474.953786	1935.525775	4265.344577	1102.330403	3188.749733	1512.180479	2821.437129	1833.293107	1428.080729	2538.579455	3479.181735	3018.830833	2467.235064	3061.952614	2478.582288	3576.862959	4358.301817	4172.754447
7.49_387.1944m/z	387.1944367	7.4858	neg	Lincomycin	43230	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C06812	36.7	0	M-H2O-H	C18H34N2O6S	-3.643309313	1685.365015	2146.514659	1683.112457	1797.993978	892.1995951	2458.402704	666.5264062	2000.638623	684.2456468	1377.362018	718.1085363	635.1275847	3111.57533	2314.946743	1665.690139	1065.0833	1524.23233	1107.865879	1760.26383
8.52_309.1707m/z	309.1707448	8.518133333	neg	5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone	64192	Unclassified	Unclassified	Unclassified			36.7	0	M+FA-H	C16H24O3	-0.010113921	193.6563458	241.9196328	284.4256468	154.4269542	319.7695272	166.2843768	195.9946303	167.079093	170.901379	195.0333785	145.8820644	209.3969313	88.08105187	76.40650169	177.8406621	244.3640826	71.1031384	155.9107318	333.0923183
0.10_237.1481m/z	237.1481464	0.10495	pos	(-)-trans-C75	96552	Unclassified	Unclassified	Unclassified			36.6	0	M+H-H2O	C14H22O4	-1.473504727	14310.66408	13256.4143	14182.87624	14570.91437	13507.48942	14081.46445	15828.64527	15560.10693	14970.33298	15819.99151	15430.52772	12649.856	14423.01939	14938.51411	15791.8407	15033.13619	13990.49185	16003.96419	14625.96353
0.12_225.2210m/z	225.2209936	0.123416667	pos	Heptyl octanoate	HMDB0036218	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		36.6	0	M+H-H2O	C15H30O2	-1.231651552	2736.830368	3127.245422	3242.832966	3296.829406	3067.848044	3081.971305	3007.104246	3433.610242	3073.852998	3110.398131	3110.050593	3063.780739	2948.628432	3031.651435	3561.356223	3535.962767	2493.780257	3335.874439	2755.914336
0.48_235.1334m/z	235.1333645	0.477816667	neg	beta-Damascenone	85264	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			36.6	0	M+FA-H	C13H18O	-3.174605103	7167.284571	7274.152835	6665.523401	6059.698571	6635.642826	6409.60286	6827.483092	6356.381562	6292.993583	6714.986787	6458.125929	6487.123291	5618.288664	6201.167774	5965.033925	6366.064076	6007.364141	6633.868763	5243.38794
0.52_201.1123m/z	201.1122698	0.52135	neg	Oxalic acid dibutyl ester	94730	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives			36.6	0	M-H	C10H18O4	-4.763578029	1017.980656	738.2106447	929.6212087	709.3417625	757.7334441	576.4234727	730.3382697	805.95004	664.9359399	943.7836985	756.4262076	994.6213488	874.5561879	837.0353803	737.7391534	842.4377124	706.4240586	968.5276326	859.0818934
0.57_186.1118m/z	186.1118052	0.572433333	pos	4-Hepteneoylglycine	HMDB0094730	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.6	0	M+H	C9H15NO3	-3.59032022	536.9865775	664.3518159	670.63174	420.840569	839.4719935	624.2099054	303.650654	443.3827155	137.0218242	738.5449464	307.0558958	792.9595956	1225.867929	371.8197136	319.2236134	416.1144626	191.9546724	371.6560463	726.8169033
0.64_351.0187m/z	351.0187306	0.641183333	neg	"(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)oxidanesulfonic acid"	HMDB0125406	Phenylpropanoids and polyketides	Flavonoids	Sulfated flavonoids			36.6	0	M-H	C15H12O8S	2.041531876	6852.937703	7382.026558	7630.536298	9001.389165	5214.775673	7571.16067	5841.914707	5885.221955	6062.102749	7129.309447	6749.461167	9416.323032	7676.240045	7479.903205	7374.851327	8632.619922	8143.002698	9917.02927	8385.99782
0.70_240.0411n	479.0867203	0.695333333	neg	ALIZARIN	43807	Unclassified	Unclassified	Unclassified			36.6	0	"M-H, 2M-H"	C14H8O4	-4.950006859	31321.63556	34149.82108	32717.85869	16534.59352	56668.86865	34086.18245	43302.63867	19933.15212	15863.94168	43601.03289	18203.49477	9940.996598	54546.01246	36419.38727	65703.2697	13252.19573	49449.88158	12222.50237	18010.3542
0.71_291.0121m/z	291.0121433	0.712816667	neg	OXDEMETONMETHYL	44562	Unclassified	Unclassified	Unclassified			36.6	0	M+FA-H	C6H15O4PS2	-4.053443542	130885.9299	140068.3066	125617.4666	201210.9104	89277.39365	243928.9644	77166.06697	146666.515	185147.8996	119381.8451	145664.3516	158861.193	107623.5442	93950.48926	99218.9581	146032.0725	84927.45229	144099.0036	84830.79234
0.71_447.0589m/z	447.0588978	0.712816667	neg	"2,3-Dihydroxy-2,4-cyclopentadien-1-one"	94011	Organic acids and derivatives	Vinylogous acids	Unclassified			36.6	0	2M-H	C10H8O6	4.459849065	15155.15687	13235.93493	8522.813721	10888.55117	13268.1525	14642.62926	15612.6353	22534.03366	19472.77361	11129.87424	13879.99778	14523.65991	12367.7758	11407.82712	9264.345833	12393.40679	14381.29083	16352.59606	10954.37213
0.71_464.0774m/z	464.0774342	0.712816667	neg	Karakin	67020	Unclassified	Unclassified	Unclassified			36.6	0	M-H2O-H	C15H21N3O15	-4.122633564	14840.12388	18482.42077	21196.52073	5748.351982	28986.92064	26630.02103	17934.99215	31488.95327	23781.08042	19466.31047	15537.26026	13681.38604	9843.414165	11969.86458	14404.03304	10747.31233	21003.49701	12876.7234	15480.89186
0.73_375.1150m/z	375.1149693	0.7299	neg	Carbimazole	1519	Organoheterocyclic compounds	Azoles	Imidazoles		C07615	36.6	0	2M-H	C7H12N2O2S	-4.390853531	16524.94295	19494.02574	21425.28089	30004.41231	21331.72524	31726.80725	18385.56013	12426.61016	17813.00388	20780.26083	19306.68	17328.79864	22588.43153	23675.05488	24519.72394	11649.67152	14636.91304	15857.32967	17073.68798
0.75_606.0744m/z	606.0744082	0.746966667	neg	Uridine diphosphate-N-acetylglucosamine	41549	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine nucleotide sugars	**	C00043	36.6	0	M-H	C17H27N3O17P2	0.189339265	39178.39647	33166.51794	33571.44759	32551.40381	43484.61579	35271.80381	72297.57059	32183.23571	33120.83329	59449.45404	49746.02067	24050.43611	43032.12687	41880.03512	44422.28727	36441.22848	43410.05237	26668.91557	25608.78561
0.76_192.0129m/z	192.0128911	0.764266667	neg	Methylthiobenzoylglycine	2540	Unclassified	Unclassified	Unclassified			36.6	0	M-H2O-H	C9H9NO3S	1.981010033	307.1276612	570.0464574	520.2999573	318.1372873	121.6237668	1222.968668	660.5000372	651.8271049	612.0577599	469.0773927	483.6769623	548.8611867	371.2359598	522.9725439	353.7087156	290.515875	462.5878131	458.6272405	303.2081959
0.76_334.1240m/z	334.1240115	0.764	pos	tertatolol	96210	Organoheterocyclic compounds	Thiochromanes	Unclassified			36.6	0	M+K	C16H25NO2S	0.858505355	11374.822	12884.34047	10749.41472	9131.675221	16505.5616	12277.48321	12097.75026	6041.825324	8043.39541	12360.31961	11810.02754	8995.454425	10231.26395	13831.66604	11515.12689	9178.34349	10183.40079	9421.340316	13658.65701
0.78_471.0955m/z	471.0954614	0.781033333	pos	(Z)-Resveratrol 3-(2''-sulfoglucoside)	HMDB0037075	Phenylpropanoids and polyketides	Stilbenes	Stilbene glycosides			36.6	0	M+H	C20H22O11S	-0.207624915	10460.59324	8206.565801	14278.03388	4957.838617	15651.39705	10823.66411	17503.1556	3530.140586	2613.109574	14372.87105	12521.70384	5209.242437	12921.80208	9518.575621	13965.76284	13861.63117	11271.26312	9234.173876	10583.72173
0.82_219.1159m/z	219.1159382	0.816033333	pos	Thiofanox	72438	Unclassified	Unclassified	Unclassified			36.6	0	M+H	C9H18N2O2S	-1.086731807	2273.521925	1495.248234	2198.901886	2796.74039	0.000297236	752.6425802	680.8231549	0.000297236	1423.466999	0.000297236	2397.096511	4112.733586	1709.459608	2295.096465	4417.542155	2728.237167	1676.979991	3697.116314	2213.198337
0.86_215.0489m/z	215.0488764	0.85685	neg	Phenelzine sulfate	66641	Benzenoids	Benzene and substituted derivatives	Unclassified		C07430	36.6	0	M-H2O-H	C8H14N2O4S	-3.035142457	2798.732886	1919.00915	2621.501911	3194.430141	1988.541535	3571.90252	1772.21551	2100.17449	1847.153533	2829.939839	2121.057819	3145.211077	3123.307649	1908.07352	2543.55429	2310.452709	2737.116138	3031.347684	4044.448287
0.86_341.0294m/z	341.0293786	0.85685	neg	Medicagol	48339	Phenylpropanoids and polyketides	Isoflavonoids	Coumestans			36.6	0	M+FA-H	C16H8O6	-3.081510793	11834.17467	10200.89848	11023.06717	13189.70139	9833.292737	6639.775147	12420.02092	19854.62051	20222.41333	7392.532555	13392.09503	14294.78365	9337.94278	9127.971014	10781.52566	6072.300434	8761.864668	7552.483652	10499.61491
0.91_266.0220m/z	266.0219523	0.911233333	pos	9-Hydroxy-2-nitrofluorene	68693	Unclassified	Unclassified	Unclassified			36.6	0	M+K	C13H9NO3	2.426927752	2028.472574	1649.743036	1672.158188	1608.485547	2060.427402	2393.820252	1671.812732	1737.281895	1704.579616	2804.136556	1915.943251	1994.210536	2295.973786	1925.359399	1711.982733	2373.387232	1849.593913	1755.361296	2435.604853
0.91_286.2141n	287.2214133	0.911233333	pos	"2,2,4-Trimethyl-1,3-pentadienol diisobutyrate"	HMDB0059777	Organic acids and derivatives	Carboxylic acids and derivatives	Dicarboxylic acids and derivatives			36.6	0	"M+H, M+Na"	C16H30O4	-0.95218612	15744.58985	13010.43198	14038.32459	13033.17083	14645.10349	15197.27988	15260.84235	14763.30947	18547.28238	16508.83014	15846.4816	15567.98646	15562.09368	11961.87332	12718.85555	16548.81615	14115.12037	16105.83742	13499.879
0.95_243.2681m/z	243.2681406	0.94875	pos	Cetyl alcohol	LMFA05000061	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	**	C00823	36.6	0	M+H	C16H34O	-0.419213823	1046.53096	812.601088	1264.50264	1078.871199	1136.426715	1041.846471	793.6308161	1311.729016	1551.531752	1128.692482	1082.805323	1377.69115	1691.956402	1244.731782	1317.133377	1027.896653	1313.825641	1345.330906	1079.699629
1.08_317.0622m/z	317.0621725	1.081483333	neg	CITIOLONE	44336	Unclassified	Unclassified	Unclassified			36.6	0	2M-H	C6H9NO2S	-4.244883689	2628.936896	1794.713964	2582.313019	2335.996873	2563.54337	2818.429575	2682.105042	2322.424976	2802.809636	2423.022417	1741.758939	1911.377057	1605.583108	2407.055336	1674.671767	2154.966411	2484.019606	2021.020614	2483.573567
1.10_316.0413m/z	316.0412586	1.098716667	neg	ISOXICAM	44108	Unclassified	Unclassified	Unclassified			36.6	0	M-H2O-H	C14H13N3O5S	4.501387745	12505.52694	18504.75443	17888.33722	18464.75686	19555.5619	16609.63304	18160.82026	16090.165	14307.79132	20709.05769	20481.79548	14388.18244	20067.61651	20732.1329	17175.92073	19427.80112	18417.63018	16771.6854	16897.15691
1.18_369.1143m/z	369.1142551	1.1797	neg	Calomelanol D-1	LMPK12120495	Lipids and lipid-like molecules	Polyketides	Flavonoids			36.6	0	M-H2O-H	C24H20O5	2.634407995	1367.015957	885.3043689	1091.371189	1133.433432	1131.016925	1314.136135	1045.307415	907.377383	782.4221503	1211.735037	1399.957491	1239.060082	1426.218655	1531.823875	1327.505588	1745.509367	1422.130123	1675.559078	1584.829272
1.18_419.0273m/z	419.027302	1.1797	neg	Fluorocitric acid	87529	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives			36.6	0	2M-H	C6H7FO7	-1.388178819	2491.526181	3704.607778	3367.973091	4423.272729	4377.0449	3011.052378	4392.747615	3075.945356	4749.599429	5266.575895	4715.402969	2581.068417	3896.568916	3203.92168	3731.900423	3584.24574	3289.226538	3627.09926	2683.207557
1.18_599.2725m/z	599.2724973	1.1797	neg	SQMG(16:1(11Z)/0:0)	LMGL04010003	Lipids and lipid-like molecules	Glycerolipids	Glycosylmonoradylglycerols			36.6	0	M+FA-H	C25H46O11S	-3.227345223	4979.36185	4883.423681	5008.698419	3537.802163	4902.495716	5607.613131	4563.504649	3453.305061	3026.00409	4181.888793	4718.87141	5013.509519	5340.909442	4225.536176	4966.312001	4412.39638	5124.102071	6620.979759	7413.847899
1.22_205.0132m/z	205.0132223	1.220333333	neg	Flaviolin	72004	Unclassified	Unclassified	Unclassified			36.6	0	M-H	C10H6O5	-4.973299782	234.5287151	197.6356971	145.2586602	265.5089003	185.1332606	274.7159098	252.7993357	220.6619906	216.0325913	212.4403108	177.5260964	410.4187943	190.5016056	165.1054231	206.8117231	288.8763011	238.7396947	242.7413721	173.2425245
1.26_741.1706m/z	741.1706047	1.259833333	neg	Cyanidin 3-(6''-(E)-caffeylsambubioside)	46909	Unclassified	Unclassified	Unclassified			36.6	0	M-H	C35H34O18	4.536566072	3466.311121	4225.750764	4287.091309	1510.087607	6161.340641	1527.876934	1857.839937	21675.09612	2005.114132	0.000297236	1086.584529	1594.561833	2527.966126	1893.311382	0.000297236	1931.415031	448.6566989	2528.821178	1450.584236
1.34_461.0911m/z	461.0910794	1.336933333	neg	"{4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid"	HMDB0125858	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones			36.6	0	M+FA-H	C21H20O7S	-0.234106795	3904.387928	5148.640808	6883.988701	1835.726726	7707.600704	3005.466282	4273.388449	6652.422112	6283.064773	2880.31532	4640.0156	2430.962092	4347.551783	6162.327808	5297.160759	4048.850842	5394.993611	1984.49339	5408.04961
1.38_205.0132m/z	205.0132216	1.37855	neg	7-hydroxy-1-oxo-1H-isochromene-3-carboxylic acid	HMDB0128623	Phenylpropanoids and polyketides	Isocoumarins and derivatives	Unclassified			36.6	0	M-H	C10H6O5	-4.976252174	1277.72922	924.0413455	1146.477678	1121.301862	1251.501891	1051.146184	1176.556692	844.3065727	942.5563927	1172.109901	909.8949377	1229.442054	1153.941637	1108.168872	1053.174568	983.1722644	915.9021856	981.4984496	1263.453175
1.48_145.0687m/z	145.0686891	1.48375	neg	4-Methyl-4-(methylthio)-2-pentanone	92463	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			36.6	0	M-H	C7H14OS	-3.905840101	105.94943	125.7901105	78.52862167	68.10392076	104.9345387	77.57302439	82.57226499	381.454913	357.7664995	50.26640543	74.0692014	201.6657589	68.35883553	78.02090419	34.98992658	17.50237716	54.20908746	44.37165373	69.35745412
1.95_271.0590m/z	271.0590153	1.949816667	neg	Catechin	HMDB0002780	Phenylpropanoids and polyketides	Flavonoids	Flavans	***	C06562	36.6	0	M-H2O-H	C15H14O6	-7.521335914	473.5414665	524.0017526	485.0469643	34.28582061	229.4997323	105.8258405	57.32985534	7148.007012	1016.632998	126.9730681	0.000297236	190.8053685	93.61810693	59.59819009	47.03187353	57.07801718	33.49835069	0.000297236	55.52586059
10.01_159.0650m/z	159.0650446	10.0055	pos	2-Propylmalate	63240	Unclassified	Unclassified	Unclassified			36.6	0	M+H-H2O	C7H12O5	-0.798833684	2047.164368	1596.218627	1444.104046	1345.790726	1495.291351	1636.698661	1809.859067	1755.357589	1864.872757	1971.041798	1992.340593	1901.813861	1805.991206	1735.86849	1985.140116	2000.257357	1863.284734	1716.612022	1846.465261
10.28_280.1110m/z	280.1109539	10.27795	pos	"Dibenz[a,h]acridine"	72942	Unclassified	Unclassified	Unclassified			36.6	0	M+H	C21H13N	-4.019752256	10306.09854	10390.28784	11691.08282	12574.05192	12005.76496	11980.66245	11218.51878	6774.386884	8617.549534	11015.58946	9827.574498	10092.97209	14017.94126	12999.30064	12705.28635	13206.42173	12360.91308	12867.02001	12724.40177
10.42_293.2122m/z	293.212222	10.42301667	neg	"(all-Z)-8,11,14-Heptadecatrienal"	HMDB0041333	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	**	C16343	36.6	0	M+FA-H	C17H28O	0.014564027	499.855254	514.8109506	417.936793	250.8233757	468.0345828	517.780065	210.462329	1316.955101	663.8396472	322.8324483	162.1726149	728.7316812	181.1365565	251.2736344	334.3903528	319.3519668	238.9025465	288.5569969	271.7835878
10.44_379.0001m/z	379.0000572	10.44475	neg	"2-Methyl-1,4-naphthalenediol bis(dihydrogen phosphate)"	HMDB0032721	Benzenoids	Naphthalenes	Unclassified			36.6	0	M+FA-H	C11H12O8P2	3.334363071	2079.101849	2265.145582	2629.923589	2244.163889	2107.013801	2435.371675	2816.571114	2295.590103	2367.99995	2265.947948	2498.794306	1980.332086	2190.023132	2462.913647	2546.685788	2093.230758	2397.12795	2116.245577	2323.470033
10.59_579.0095m/z	579.0095347	10.59338333	neg	3-[3-methoxy-4-(sulfooxy)phenyl]-2-oxopropanoic acid	HMDB0126595	Benzenoids	Benzene and substituted derivatives	Phenylpyruvic acid derivatives			36.6	0	2M-H	C10H10O8S	-4.250650912	110971.0765	96907.35101	105412.5612	105854.1452	102005.0158	99495.35958	104842.7498	102905.321	101550.4749	103363.3618	105397.2617	99901.7087	106313.4385	104163.3813	103560.4145	110978.674	108745.9504	106832.2577	102114.8698
10.87_506.2867m/z	506.2867166	10.87058333	neg	PS(18:0/0:0)[U]	40831	Unclassified	Unclassified	Unclassified			36.6	0	M-H2O-H	C24H48NO9P	-4.018658656	2182.571345	1914.687397	1515.230423	1850.519986	1645.107023	1064.763522	1950.096918	191.0160605	1339.903503	1919.882087	2545.809235	1205.574223	3748.379106	3711.096691	1510.111176	1586.27996	1637.485137	2164.696401	1731.387191
10.87_640.2455m/z	640.2455411	10.87058333	neg	Taurocholic acid 3-sulfate	LMST05020031	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		36.6	5.66	M+FA-H	C26H45NO10S2	-1.932635565	4990.174363	4182.764301	4591.385429	4495.156934	4785.225425	4623.266119	6347.039898	4760.102231	6379.289277	4166.422667	5509.875808	5276.451909	6631.199933	6664.709463	4176.493672	5398.887251	4537.563494	4705.358572	5450.226148
11.42_540.3665m/z	540.3665475	11.42268333	neg	PC(O-1:0/O-16:0)[U]	40178	Unclassified	Unclassified	Unclassified			36.6	0	M+FA-H	C25H54NO6P	-1.070865145	1651.748094	1317.187104	1144.224804	1325.827665	1537.552972	2031.807295	1494.847554	1428.114139	1330.791655	961.6002646	1250.697933	1473.253402	992.1681242	703.2163409	1918.548305	2369.912959	1650.356863	2012.181348	773.9682928
11.67_357.3004m/z	357.3003968	11.66696667	pos	MG(18:1(11Z)/0:0/0:0)	HMDB0011566	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	***		36.6	0	M+H	C21H40O4	1.292636823	5124.877949	4897.765537	3730.953022	3770.856889	3693.982679	4293.888288	3050.321022	4956.90895	4652.524072	4660.372747	4210.441774	3175.376409	1338.69465	194.694592	2188.817059	4229.4729	5013.06328	4276.454962	4222.575176
11.78_437.2463m/z	437.2463467	11.78411667	neg	Dextromoramide	1981	Unclassified	Unclassified	Unclassified			36.6	0	M+FA-H	C25H32N2O2	4.501253997	761.5694728	722.0112389	567.1906624	1398.860114	556.9583577	1910.949285	732.4714683	1949.814149	992.4267123	961.4207426	620.2042054	920.6643013	1065.196241	1193.159119	1389.118	643.0792055	766.8625872	415.7291174	661.3468313
12.59_285.2434m/z	285.2433853	12.58548333	neg	"1,2-Epoxyhexadecane"	70106	Hydrocarbons	Saturated hydrocarbons	Alkanes		C14499	36.6	0	M+FA-H	C16H32O	-0.554487812	593.9804477	695.6758595	662.3301502	555.4466409	543.2393999	441.5913672	461.071476	443.1595478	455.0037691	356.0522218	505.041438	532.7702458	623.5685967	445.7939565	465.3428496	481.6534545	661.2940329	480.9263553	365.1198369
12.82_736.4920m/z	736.4920397	12.81668333	neg	"PE(14:0/22:5(7Z,10Z,13Z,16Z,19Z))"	60290	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	**	C00350	36.6	0	M-H	C41H72NO8P	-0.32373697	51024.06502	51665.1211	33476.43015	58002.60546	41326.09615	42513.1846	81142.08427	73397.96239	32248.53751	39820.8737	74374.75348	40200.22605	53757.44685	39622.98721	75027.83935	75277.65418	36207.30968	37944.76901	41291.42933
13.42_468.1816m/z	468.1815931	13.42078333	neg	NVP-BEZ235	64764	Unclassified	Unclassified	Unclassified			36.6	0	M-H	C30H23N5O	-2.964360804	4652.938711	4592.150765	4286.544971	3608.764307	7826.33397	4041.211799	3103.784229	6183.450498	6703.279399	3881.4378	4429.032649	6770.767179	7763.939344	5288.626896	5070.131669	4644.558764	4921.466513	4545.285386	5356.147486
14.14_313.0105m/z	313.0104631	14.13951667	neg	PQQH2	63124	Unclassified	Unclassified	Unclassified			36.6	0	M-H2O-H	C14H8N2O8	0.719849848	1723.649472	1242.676626	1180.700348	1765.238736	1827.362785	718.3046337	1343.351278	1656.323597	1731.231339	2261.375029	1873.954774	1806.533561	1255.333548	1550.855433	2117.910357	1786.020597	1111.944049	2426.434667	1002.436052
2.63_301.2384m/z	301.2383718	2.6272	neg	dodecyl butyrate	LMFA07010424	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		36.6	0	M+FA-H	C16H32O2	-0.239526865	1170.371448	1005.76503	1043.367146	1342.901941	1152.682683	1352.833755	1076.573183	1322.687703	776.4719905	982.3159694	1103.912661	1281.092954	1588.380081	1622.39728	1468.808913	1301.42413	1334.563601	1468.373711	1240.262327
2.75_307.9993m/z	307.9993417	2.754933333	neg	METHYL PARATHIONE	44552	Unclassified	Unclassified	Unclassified			36.6	0	M+FA-H	C8H10NO5PS	-2.247808439	2740.030316	2533.708735	2364.643133	3559.073669	2448.174259	3031.476877	3245.981076	1972.061191	2023.901588	2737.157915	2941.668843	2266.22896	3214.838022	3171.68141	2135.773613	2393.254294	2440.123476	3371.514269	3145.645995
2.97_267.0962m/z	267.0961557	2.966683333	neg	3-Hydroxynorpromazine	2143	Unclassified	Unclassified	Unclassified			36.6	0	M-H2O-H	C16H18N2OS	0.044048617	700.4958096	681.2655575	628.2375145	480.0611938	791.5513067	663.1288254	827.9849506	263.2478336	303.658353	752.2861578	689.8534579	207.4962465	1222.084152	1162.902003	873.6664476	619.5715598	791.0573768	522.3070779	1156.93217
2.97_345.1066m/z	345.1065625	2.966683333	neg	meta-O-Dealkylated flecainide lactam	HMDB0060832	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives			36.6	0	M-H	C15H17F3N2O4	-0.585817393	682.7591556	691.2214344	726.1511383	776.1199945	805.5458211	782.9365705	704.7512664	699.8311626	673.9708544	1006.801499	907.7717244	586.181127	654.2858613	566.0681709	617.6370959	662.4597421	649.3207311	723.6652587	847.9097356
3.39_415.2221m/z	415.2221022	3.393916667	pos	PA(16:0/0:0)[cyclic]	40949	Unclassified	Unclassified	Unclassified			36.6	0	M+Na	C19H37O6P	0.270174445	8401.000525	8647.349507	8412.952187	6442.252163	6505.145849	8521.0309	8744.725531	4814.512173	3556.799969	9151.669416	10291.49326	4891.271411	9431.769872	11588.81382	11018.40352	11387.22138	10649.80208	9328.86313	13757.93254
3.58_140.0684m/z	140.0684051	3.576816667	pos	5-amino-pentanoic acid	LMFA01100040	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates	**	C00431	36.6	0	M+Na	C5H11NO2	1.757875293	701.5581983	679.9008812	416.8360395	587.1679114	593.2678094	731.0863036	520.0778561	657.1354899	655.5779483	798.7278517	501.9228288	554.9988219	370.2379277	399.4261315	665.6174799	422.070796	555.9688947	293.7042571	386.6273101
3.60_362.1028m/z	362.1027552	3.597883333	neg	Dihydrochelirubine	64387	Unclassified	Unclassified	Unclassified			36.6	0	M-H	C21H17NO5	-1.765401346	1224.005963	1124.685554	932.9379849	564.6136073	1213.044369	981.5041151	790.4473539	1992.631747	1782.014397	1099.602357	692.7978727	1468.758156	748.4427432	769.7831057	934.8477962	889.2201638	656.9377472	1080.25266	1162.348027
3.74_552.2934m/z	552.293446	3.742016667	pos	ANTIMYCIN A (A1 shown)	44177	Unclassified	Unclassified	Unclassified			36.6	0	M+NH4	C27H38N2O9	3.537051618	2519.00167	4606.099523	3514.181244	1985.270562	2007.839813	2240.047737	6981.96126	1453.657321	1170.484078	5482.46105	4055.601132	612.6210957	6382.210853	4876.971682	4021.708625	3462.525502	3744.904957	3368.075695	5693.713349
3.85_345.2155m/z	345.2155144	3.847383333	pos	PC(O-5:0/0:0)[R]	40394	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			36.6	0	M+NH4	C13H30NO6P	1.87835148	507.4774352	544.5741874	566.2623863	626.010785	348.7114022	591.1927734	776.7817933	449.8687141	0.000297236	451.1570987	338.9636845	136.8368387	629.52199	698.0084949	445.1654783	358.9096932	763.129332	137.7361487	694.1793218
4.12_392.0552m/z	392.055152	4.119566667	neg	p-HydroxyPiroxicam	2033	Unclassified	Unclassified	Unclassified			36.6	0	M+FA-H	C15H13N3O5S	-1.850862483	1460.373521	1600.673854	1260.843993	1675.009149	1004.303129	2322.351685	1007.525766	1730.524439	1214.775312	1194.401217	942.2618579	1979.749656	1353.55914	1126.103496	1669.710277	1055.416546	1567.944549	1370.06426	2637.993915
4.37_333.9978m/z	333.9977676	4.372916667	neg	Hydroxytenoxicam	2712	Unclassified	Unclassified	Unclassified			36.6	0	M-H2O-H	C13H11N3O5S2	4.521649436	470.9131984	560.2266072	429.1859379	260.6876856	251.6655717	234.158433	335.3662412	1879.938569	2298.70294	300.4537053	372.6194818	1354.253141	128.2614759	256.8499963	273.4282823	293.7792464	150.2849749	216.2914032	246.4365547
4.47_582.0720m/z	582.0719908	4.470883333	pos	UDP-3-ketoglucose	63727	Unclassified	Unclassified	Unclassified			36.6	0	M+NH4	C15H22N2O17P2	-2.136751818	1565.767323	1353.183598	1567.079619	1439.01796	1355.858383	1195.077007	1257.970081	1079.616031	299.5778158	1603.419659	1775.11114	0.000297236	516.4880304	1209.943044	632.5471736	1895.265927	1344.897744	893.6622509	1580.961693
4.64_269.1743m/z	269.1743351	4.63615	pos	"1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone"	HMDB0038153	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols	*		36.6	0	M+H	C15H24O4	-1.493658955	2236.092954	2400.557128	2444.180886	2361.581427	2223.767698	2258.987041	1797.636107	2036.333306	2393.89438	2286.07576	2089.915554	2199.054174	2221.83449	2107.753813	2107.419147	2372.612383	2398.947724	1962.133723	2128.006894
4.81_252.0869m/z	252.086868	4.814416667	neg	Cantleyine	68022	Unclassified	Unclassified	Unclassified			36.6	0	M+FA-H	C11H13NO3	-4.24031757	369.4047847	219.6803604	371.930847	532.2490416	307.349739	431.1061449	229.1758617	975.7998703	770.735121	364.492713	86.26401837	335.401331	262.5911812	223.7394347	340.0697333	265.9175763	521.6374079	405.8297952	143.3379597
4.92_413.1503m/z	413.1503476	4.92085	pos	ESTRONE BENZOATE	44505	Unclassified	Unclassified	Unclassified			36.6	0	M+K	C25H26O3	-2.686341108	10860.22071	11053.11565	10277.36288	10157.38927	11486.74306	8498.856487	9286.30357	17430.76333	13471.2745	6072.92492	11094.94852	10453.54221	10628.86088	12276.65821	9069.048746	10848.24386	10988.21492	11715.19933	8347.900183
5.54_227.1270m/z	227.1270033	5.539733333	pos	Butopyronoxyl	72883	Unclassified	Unclassified	Unclassified			36.6	0	M+H	C12H18O4	-3.459330801	3117.46942	3306.379799	3330.908062	3209.833389	3029.798485	3374.100455	3221.675146	3298.16017	2903.16177	3172.376254	3263.700901	3349.58509	2874.101374	3356.063828	3447.376893	3173.616436	3206.369187	3273.497916	3272.642303
6.50_309.1708m/z	309.1707831	6.49905	neg	Dehydrojuvabione	67865	Unclassified	Unclassified	Unclassified			36.6	0	M+FA-H	C16H24O3	0.134612311	92.1026595	72.55069585	72.5883255	33.02653444	47.10684722	140.1718033	0.000297236	129.3808544	123.7850652	54.17009786	0.000297236	70.86198811	73.51168083	0.000297236	42.35956635	35.13535554	41.56856177	53.98522219	0.000297236
6.50_369.2388m/z	369.2387997	6.49905	neg	cis- and trans-5-Ethyl-4-methyl-2-(2-butyl)-thiazoline	88255	Organoheterocyclic compounds	Azolines	Thiazolines			36.6	0	2M-H	C10H19NS	-4.227276712	4608.670054	4143.628833	5006.892728	23827.66494	9777.99256	4598.024672	4183.011661	13093.07173	3341.710093	24586.13722	4582.154122	10663.295	3296.990698	15760.77985	51090.46123	36723.50133	9523.829881	12123.02914	4269.140901
6.57_294.0539m/z	294.0538828	6.565933333	neg	Albendazole-beta-hydroxysulphone	71270	Unclassified	Unclassified	Unclassified			36.6	0	M-H2O-H	C12H15N3O5S	-4.847736677	702.5607335	669.7502743	675.5082325	1120.703412	701.5150153	644.7317344	220.7751869	587.7460917	927.8387365	404.7035998	895.4084716	847.504363	315.9597523	372.7993544	657.500556	881.4495354	629.6692563	1090.488471	679.832881
7.12_212.1284m/z	212.128359	7.1247	neg	Isobutyryl-L-carnitine	LMFA07070075	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		36.6	0	M-H2O-H	C11H21NO4	-3.712004034	225.8810807	234.9705407	232.4443436	182.7784805	300.1103306	309.7930653	205.8602484	20.66075866	124.2518698	426.8340925	252.8689815	55.56084401	377.9795058	399.3632367	263.1710389	116.4752262	200.3474025	311.3704302	367.5665223
7.16_248.9960m/z	248.9960477	7.163366667	neg	4-Hydroxyriluzole	2323	Unclassified	Unclassified	Unclassified			36.6	0	M-H	C8H5F3N2O2S	3.764159407	2106.553088	3057.970672	2126.82882	2342.098584	3160.160641	2355.068617	2494.542174	2111.375301	2224.44619	2250.297803	3212.865926	2007.727724	2569.014558	2571.415706	2518.321847	2396.205727	2321.548057	2732.254426	2295.232085
7.49_201.1487m/z	201.1487023	7.4858	neg	3-hydroxyundecanoic acid	HMDB0061654	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives			36.6	0	M-H	C11H22O3	-4.530254338	1016.276923	971.7498013	1012.49622	969.2262384	1079.104235	1059.44425	959.4067478	883.4436192	889.376886	967.4045511	982.5750052	980.6055455	824.4162585	851.4356626	964.3645552	893.8080023	810.4347707	971.9858634	789.7602416
9.03_205.1947m/z	205.1947364	9.027933333	pos	delta-Amorphene	HMDB0030644	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		36.6	0	M+H	C15H24	-1.669150004	2511.28042	2509.442049	2257.714489	2294.11721	2532.518223	2368.672273	2315.870366	2442.866256	2003.265177	2507.601534	2415.825562	2597.497456	2289.268611	2281.391769	2266.974188	2651.333434	2234.457811	2531.31069	2249.295717
9.15_334.2347m/z	334.2347226	9.1487	pos	N-tetradecanoyl-homoserine lactone	LMFA08030038	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			36.6	0.0708	M+Na	C18H33NO3	-1.741432556	4168.281992	4165.827392	4185.847459	3012.49537	6559.886498	2203.78296	8116.464931	7081.237363	3053.384488	7329.952887	3294.733738	3399.557232	4574.224818	6002.902562	2909.898751	2300.561373	2613.550327	2271.946798	3868.996819
9.30_513.2892m/z	513.2891946	9.295433333	neg	eurysterol A sulfonic acid	LMST05020034	Lipids and lipid-like molecules	Sterol Lipids	Steroid conjugates			36.6	0	M-H	C27H46O7S	0.089802734	841.1311393	479.3951259	613.4281544	254.0198064	509.9948316	93.54073662	384.7966391	1290.002246	4614.650451	213.9559628	327.0116667	1111.139122	98.68962892	101.4120277	608.4464019	86.22654618	83.76578852	419.7749405	0.000297236
0.44_402.0269m/z	402.0269356	0.435666667	neg	YM-58483	45506	Unclassified	Unclassified	Unclassified			36.5	0	M-H2O-H	C15H9F6N5OS	3.744170106	18711.67217	18003.41311	17903.70883	17485.07835	18699.30455	16344.69203	17908.26817	17254.65854	17050.37427	19231.4945	17549.34645	18224.13092	18592.37528	18976.8567	18769.83603	19745.10004	16955.19557	18253.12489	17566.78904
0.61_180.9898m/z	180.989818	0.60835	pos	"cis,cis-muconic acid"	LMFA01170077	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C02480	36.5	0	M+K	C6H6O4	0.360919242	41476.34769	49645.36574	42769.68525	46648.73225	39499.65675	39501.59008	42062.8357	38991.39638	42973.36758	41837.59877	43685.04258	36176.65388	52873.46161	41626.85649	38541.17944	41141.99634	43513.8735	45228.45883	36976.24337
0.62_341.1917m/z	341.1916778	0.623133333	neg	"9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione"	70638	Unclassified	Unclassified	Unclassified			36.5	0	M-H2O-H	C22H29FO3	-1.538322045	3131.300497	2703.579425	3078.018577	3580.617897	2883.786002	2721.741723	2652.149795	2524.128803	1898.108944	2672.369318	3378.730127	3313.014035	3653.259668	3183.282121	2638.125048	3396.897624	3372.948735	3189.329328	4959.514782
0.64_309.0793m/z	309.079324	0.641183333	neg	"2-Naphthalenepropanol, 6-methoxy-a-methyl-, hydrogen sulfate"	1379	Unclassified	Unclassified	Unclassified			36.5	0	M-H	C15H18O5S	-2.883773392	25980.05677	25309.24948	26609.60316	30483.58514	25300.77507	23689.47072	27885.31907	19001.48006	15808.47118	22384.4846	30941.87229	17704.95651	27786.5936	26899.89348	26380.68822	29840.26676	27709.30893	33289.80373	26591.00586
0.64_485.0354m/z	485.0353681	0.641183333	neg	"3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,5-dihydroxy-4-methoxybenzoic acid"	HMDB0128346	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins			36.5	0	M-H2O-H	C22H16O14	-1.579218759	17923.70767	17688.14729	16069.38602	20951.58287	14256.27725	15602.43145	21157.54541	10332.82802	8641.948644	12894.78065	25391.22885	7653.786697	16352.95469	18260.75564	20620.66146	25464.25662	19144.20485	31348.69316	13240.45562
0.68_271.0813m/z	271.0813464	0.677333333	neg	ETHYL SYRINGATE	84963	Unclassified	Unclassified	Unclassified			36.5	0	M+FA-H	C11H14O5	-4.334568364	4298.478711	3022.38695	4786.136047	3946.315373	3369.992954	2784.579918	2669.957888	4299.303852	4204.582137	3605.543954	3709.640813	2867.429183	3953.215531	4091.819676	3118.79256	3507.789897	3173.013861	4815.774315	5820.557914
0.70_215.0320m/z	215.0319813	0.695333333	neg	"Benzo[b]naphtho[2,1-d]thiophene"	73542	Unclassified	Unclassified	Unclassified			36.5	0	M-H2O-H	C16H10S	-2.131711026	2371653.742	2644148.338	2289465.348	2886405.892	2466919.981	2569844.314	2960695.32	2449201.474	2452965.94	2344072.961	2646565.381	2287155.853	2052319.866	2393192.638	2597420.662	2987483.667	2777400.483	2585901.464	2257096.329
0.73_317.1088m/z	317.1088332	0.7299	neg	Tebupirimfos	72470	Unclassified	Unclassified	Unclassified			36.5	0	M-H	C13H23N2O3PS	-1.856498984	17215.26095	15397.81781	18456.95709	2334.572067	43490.87545	19009.4374	11578.90705	9211.585394	17006.14921	29884.2653	4956.249019	3428.895399	30564.32599	27854.31612	23894.82773	4037.76683	14769.43551	8454.831752	25960.44465
0.73_356.0753n	337.0574283	0.7299	neg	Caffeic acid 4-O-glucuronide	96065	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			36.5	0	"M-H2O-H, M+FA-H"	C15H16O10	2.591280261	44052.01821	48183.88431	37244.65966	53178.90138	38834.65464	47341.82381	36807.30349	66993.88653	48725.48837	40719.25907	46095.37139	48643.35808	33106.55531	37069.96293	40720.38133	51455.32745	39944.55785	44582.12736	41456.37358
0.75_369.1498m/z	369.1498092	0.7465	pos	N-Acetyl-9-O-acetylneuraminic acid	5759	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			36.5	0	M+NH4	C13H21NO10	-1.601098552	15855.82914	17821.83631	17797.02594	15114.41827	14293.8486	13999.28959	16844.22549	9497.053672	13979.41679	11892.50595	13443.32943	21736.2578	20940.24775	21927.55684	16979.25436	20007.51257	16073.21849	20610.88559	23682.36038
0.75_613.1395m/z	613.13947	0.746966667	neg	CMP-N-acetylneuraminic acid	434	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine nucleotide sugars	**	C00128	36.5	0	M-H	C20H31N4O16P	-0.848576078	14201.39102	18817.48124	13963.48789	15127.41352	17268.00209	14972.25873	11551.96231	29721.18783	24749.66389	16599.71568	19828.97094	18827.62669	13813.70724	14026.95249	17308.43619	12839.50238	17830.70253	18273.37606	11360.72567
0.78_256.0951m/z	256.0950775	0.781716667	neg	Benserazide	1290	Unclassified	Unclassified	Unclassified			36.5	0	M-H	C10H15N3O5	4.602611204	2289.936736	2265.2872	2847.001387	2994.090528	2775.424917	2374.265367	2656.549852	3089.257462	2640.166732	3063.380233	2371.355829	1679.723978	1956.388946	2096.108258	2484.023057	2677.141716	3661.672695	3375.149197	1749.954634
0.80_275.1362m/z	275.1361548	0.798133333	pos	N2-Succinyl-L-arginine	63477	Unclassified	Unclassified	Unclassified			36.5	0	M+H	C10H18N4O5	4.226693348	2050.386832	1509.234045	1475.182068	1051.221267	2477.050901	1334.246633	1072.974112	4866.074418	3350.121711	1579.124332	683.7975091	5997.909188	1060.342618	0.000297236	0.000297236	1588.354043	1138.804825	0.000297236	3562.145903
0.89_137.0788m/z	137.078798	0.89155	pos	2-Pentylthiophene	94771	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			36.5	0	M+H-H2O	C9H14S	3.016872234	5276.971265	4957.490889	4994.052898	4754.436243	5101.145152	5024.863905	5174.086722	4647.143955	3501.559448	5152.140011	5064.421335	4867.506188	5200.732393	4943.35241	5187.166633	4768.180852	4574.364673	5364.51593	7074.651766
0.90_383.1225m/z	383.1225483	0.898616667	neg	Quinic acid	HMDB0003072	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	***	C00296	36.5	0	2M-H	C7H12O6	7.936160403	4684.1558	4350.913234	4416.942278	4736.517095	5558.157992	4265.628981	3551.653003	3054.47561	2848.042329	5191.146825	4852.368935	3712.890251	4764.634802	3897.951889	3649.873821	3275.779349	3301.110379	3557.469401	8513.050246
0.93_193.0537m/z	193.0536808	0.929766667	pos	6-(Allylthio)purine	70821	Unclassified	Unclassified	Unclassified			36.5	0	M+H	C8H8N4S	-2.931333408	85.87227715	140.6082825	123.8553012	115.6268507	57.68536394	6.862433283	82.09841617	0.000297236	0.000297236	0.000297236	491.4127266	225.2814221	0.000297236	471.6766003	0.000297236	0.000297236	123.8007392	251.9140478	69.29086954
0.99_131.0896m/z	131.0895551	0.9872	pos	R-3-(Methylthio)-1-hexanol	HMDB0040153	Organosulfur compounds	Thioethers	Dialkylthioethers			36.5	0	M+H-H2O	C7H16OS	4.437612769	324.9247424	467.761843	465.3200124	360.8451955	792.4418965	627.4337696	385.6641492	472.3752602	296.6100817	600.0872295	283.1220002	205.602906	447.4328324	282.1460607	114.7355051	150.4699933	315.5294186	311.9104256	213.2891969
1.06_102.0552m/z	102.0552489	1.062216667	pos	DL-Homoserine	288	Unclassified	Unclassified	Unclassified			36.5	0	M+H-H2O	C4H9NO3	2.469425594	12760.9186	14809.59243	14366.87745	13435.17733	14773.54096	12765.67026	13162.82663	11103.1823	10199.84423	14098.72858	13813.58898	14442.00734	14215.05735	14614.2201	14676.0698	16070.38033	13412.97181	14989.19553	14159.63804
1.18_241.0802m/z	241.0801833	1.1797	neg	CAY10554	45242	Unclassified	Unclassified	Unclassified			36.5	0	M-H2O-H	C14H16N2OS	-1.190711149	884.7603711	799.8208519	847.506975	524.2774678	1580.419139	601.6983002	1043.389806	185.2917629	332.7422723	1470.912409	739.8308881	388.5172476	1258.012723	1572.388376	1097.844506	1180.091657	1092.754503	615.1502685	954.6655315
1.18_360.9954m/z	360.9954107	1.1797	neg	2-Methylthiobenzothiazole	68679	Unclassified	Unclassified	Unclassified			36.5	0	2M-H	C8H7NS2	-3.578289957	2252.825434	1489.739132	2010.827444	1420.215199	1180.639567	2108.768237	1866.033165	996.5864728	1205.556367	1616.081695	1796.278668	1576.965091	1812.32744	2104.38393	1695.8547	1518.212284	2443.549617	1601.341856	2175.823051
1.18_446.0842m/z	446.084172	1.1797	neg	"2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-3,5,7-trihydroxy-1λ?-chromen-1-ylium"	HMDB0125152	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			36.5	0	M-H	C21H19O11+	-2.880773166	5220.669644	4341.052777	5134.337523	5931.109669	5532.75154	5460.587113	5863.779959	4885.198032	5455.889658	5267.923637	6421.333781	4761.793964	7141.939648	6027.389181	5172.754115	5595.389016	5314.922918	6026.47644	6974.909654
1.32_347.1088m/z	347.108768	1.317533333	neg	Bicozamycin	68945	Unclassified	Unclassified	Unclassified			36.5	0	M+FA-H	C12H18N2O7	-2.766415554	937.9512897	1195.267996	1266.132767	758.6729134	1106.534315	1128.496146	814.8372676	3089.569944	3519.665985	918.190045	1136.540937	1512.520832	1023.560927	1086.76708	1189.50505	1013.575929	906.4007729	948.9229887	1161.116848
1.34_176.9843m/z	176.9842909	1.335283333	pos	Methyl propyl trisulfide	87989	Organosulfur compounds	Organic trisulfides	Unclassified			36.5	0	M+Na	C4H10S3	3.941253519	1057.678149	1066.29705	1347.471533	418.6737664	1307.650437	191.1959249	432.0192703	2186.312129	2325.770366	254.7990571	721.1828627	1451.133459	1414.901442	1287.916263	1170.816932	860.0790372	899.9633455	764.683737	1277.187661
1.34_288.0538m/z	288.0537762	1.336933333	neg	Mono-N-depropylprobenecid	2091	Unclassified	Unclassified	Unclassified			36.5	0	M+FA-H	C10H13NO4S	-3.931645961	2480.325355	2510.588692	2718.0033	1298.781388	2696.392518	1300.299847	1427.403175	4511.312934	3238.092967	1170.586063	2209.908595	2889.577205	2300.982258	3180.393717	2632.652015	2383.517963	2248.356815	1637.02373	3169.069115
1.42_206.0485m/z	206.0484845	1.420133333	neg	S-Allylcysteine	HMDB0034323	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C16759	36.5	0	M+FA-H	C6H11NO2S	-4.768485419	549.0755901	603.8878486	606.2026978	0.000297236	20.96770051	28.7806405	25.69646869	5425.251629	2488.328704	42.01333979	0.000297236	1574.97767	0.000297236	0.000297236	0.000297236	0.000297236	27.41464088	0.000297236	0.000297236
1.59_450.9806m/z	450.9805838	1.59115	neg	"2,2'-Dithenyl sulfide"	HMDB0032982	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			36.5	0	2M-H	C10H10S3	-2.359271219	3501.137472	3892.942027	3808.619154	2735.224596	4238.565351	4486.344171	3427.810624	2245.235806	2254.541379	3650.840989	2611.033346	4017.978172	4057.143386	3514.318258	4514.629684	3742.326539	4058.05968	4297.605806	5243.290201
1.65_222.0436m/z	222.043577	1.6536	neg	Isoalliin	HMDB0029441	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	*	C08295	36.5	1.37	M+FA-H	C6H11NO3S	-3.332829206	950.0287315	980.9104625	924.2817271	1346.829157	407.5796929	979.4200994	581.4420261	1357.518605	985.6749724	411.9330014	686.8124177	1747.198701	840.7372099	581.457565	779.3251679	677.8756106	964.3739468	1262.261681	1496.316846
1.82_423.0941m/z	423.094133	1.822516667	neg	"3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)propane-1,2-dione"	HMDB0128848	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones			36.5	0	M+FA-H	C18H18O9	2.242864885	1212.039775	1221.113987	1046.512371	968.3091487	1124.311025	902.6755432	1143.844446	2017.046085	1765.827231	640.075737	1436.823412	2117.86432	935.6901892	1181.851555	792.1740879	1111.508968	905.3839906	770.1483145	1129.966978
1.98_212.1209m/z	212.1209401	1.98295	pos	Methiuron	72828	Unclassified	Unclassified	Unclassified			36.5	0	M+NH4	C10H14N2S	-3.374252288	5691.396833	6153.470707	5609.625042	5354.331566	7109.151189	8208.001744	9342.480065	4102.641822	3869.774584	10337.38605	6722.947632	2675.997789	7845.845015	8392.723404	6157.84831	4842.322824	5978.630356	4268.915323	7778.204682
10.13_606.3028m/z	606.3027689	10.12653333	neg	PKHdiA-PE	LMGP20020016	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			36.5	0	M-H	C28H50NO11P	-3.462422503	3960.654086	4437.985784	2949.254291	2621.015013	7963.051287	4602.084133	3568.561485	4542.489657	6907.296236	4140.842242	3320.083258	4837.980384	5297.044777	4411.692549	4187.589737	2673.884031	3636.355034	3506.405137	4100.814313
10.40_1019.6101m/z	1019.610085	10.40193333	neg	"PIM1(19:2(9Z,12Z)/18:0)"	LMGP15010048	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositolglycans			36.5	0	M-H2O-H	C52H95O18P	2.23681163	3455.908429	2920.117819	4283.410501	3311.123888	7126.472746	4211.944752	5681.823542	4316.856884	8275.907866	4667.438395	2427.09663	8856.291647	6983.997308	5927.217123	7425.529746	5345.602099	7931.696244	7696.049608	6462.526663
10.47_667.0200m/z	667.0200197	10.46646667	neg	[3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid	HMDB0133344	Phenylpropanoids and polyketides	Flavonoids	Flavones			36.5	0	2M-H	C15H10O7S	-3.220235302	5222.118299	4708.072275	5485.568104	5190.892863	4429.913278	5653.787902	5979.002584	4847.471273	3596.893145	5685.085711	5458.423657	5094.221336	5298.852342	5699.771998	5321.734946	5603.425013	5029.782824	5976.564625	3453.136318
10.68_509.0221m/z	509.0220692	10.67961667	neg	Phosfolan	72762	Unclassified	Unclassified	Unclassified			36.5	0	2M-H	C7H14NO3PS2	-2.349310146	14789.71725	14936.23042	15060.85005	14951.98528	14200.14662	13867.34183	15991.49771	14444.26093	14148.88256	15587.08114	14354.60748	13714.94489	15127.66987	13736.47892	14434.56018	15149.79751	14014.28217	14898.72895	15289.83111
10.85_475.0193m/z	475.0192754	10.84901667	neg	"(E)-4-(6-methyl-1,2-dithiin-3-yl)but-1-en-3-yn-1-yl acetate"	LMFA12000368	Lipids and lipid-like molecules	Fatty Acyls	Oxygenated hydrocarbons			36.5	0	2M-H	C11H10O2S2	4.429853184	4174.897728	4333.258456	4399.649377	4148.351057	4008.850508	4716.377068	5659.21161	5054.008652	5207.711218	4053.801128	5260.13809	5480.041164	4638.511902	4559.644149	5318.565397	4795.046855	4525.098029	4631.557781	4046.076567
10.94_305.1522m/z	305.1522192	10.94183333	pos	Tetranor-12(R)-HETE	35513	Unclassified	Unclassified	Unclassified			36.5	0	M+K	C16H26O3	3.254811711	2332.876763	1542.255904	2039.90827	2169.918971	2321.748758	2197.053345	2144.502875	2434.836799	2339.57486	1853.780283	1917.030116	1598.240944	2638.047885	1970.071296	2396.018939	2055.394681	2279.473763	2275.497645	2533.345245
11.57_1159.7129m/z	1159.712863	11.57193333	neg	Ganglioside GM3 (d18:1/18:1(11Z))	62631	Lipids and lipid-like molecules	Sphingolipids	Glycosphingolipids	*		36.5	0	M-H2O-H	C59H106N2O21	1.608229327	26237.44347	27195.95923	22920.04859	20251.45832	22026.79116	25738.1918	32496.70707	12438.22949	15996.46543	19062.61332	22790.42404	27725.13203	31732.3473	31999.82397	28435.71034	27657.74065	31407.39784	20678.65077	21912.80047
12.00_622.3701m/z	622.3700973	11.99595	neg	PC(18:0/3:1(2E))	LMGP01010830	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			36.5	0	M+FA-H	C29H56NO8P	-4.260567738	3797.710082	4181.758003	4685.3946	4315.34584	3397.249877	4348.265882	5397.226799	3339.927919	3679.526858	2622.571601	4914.514451	3313.618455	4359.736097	4224.098557	3312.604344	5164.01365	5447.532066	3752.101804	3072.841194
12.08_335.1509m/z	335.1509247	12.07563333	pos	Palmatine	64373	Unclassified	Unclassified	Unclassified			36.5	0	M+H-H2O	C21H22NO4+	-1.903332094	7254.987874	4767.877906	7640.25234	4494.08444	12116.83486	7548.182071	4508.219229	12908.5864	15164.24651	7002.242643	5332.261531	9972.881823	8091.169381	5999.844163	5973.972865	4906.88767	6262.54323	5260.40023	6321.446766
12.54_663.4717m/z	663.4717057	12.54275	neg	"1-(O-alpha-D-glucopyranosyl)-25-keto-(1,3R,27R)-octacosanetriol"	46601	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides			36.5	0	M+FA-H	C34H66O9	4.558247231	7204.91067	8378.571964	6574.872371	13102.62951	4591.571499	5945.093384	15855.33264	2536.619592	10130.46748	8712.676301	10686.06462	13840.89714	14077.67944	12743.06641	6830.853814	5007.167594	6706.691546	3320.6898	14095.74669
12.54_859.5995m/z	859.5995161	12.54093333	pos	"PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))"	60992	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		36.5	0	M+NH4	C49H80NO8P	4.20101065	95869.64283	76614.01503	102897.4784	129973.873	88701.67122	74064.63862	84842.56233	95017.71331	100447.5245	91014.01707	83693.28976	104768.2227	94357.39921	89165.39379	103457.6067	169860.9147	102827.4722	129445.8224	105111.1974
12.74_352.3213m/z	352.3212956	12.74431667	pos	"8,11,14-docosatriennoic acid"	34832	Unclassified	Unclassified	Unclassified			36.5	0	M+NH4	C22H38O2	0.866295736	2700.649345	2052.005052	3106.706823	2595.610429	2925.552341	3060.954383	3555.956705	1520.101076	1419.492396	1596.741174	2355.02982	1604.676097	2379.358058	1520.086172	2104.029602	2865.06958	2314.00516	2040.248735	1930.602081
12.96_351.2537m/z	351.2537338	12.96181667	neg	Benzylpiperazine	85052	Unclassified	Unclassified	Unclassified			36.5	0	2M-H	C11H16N2	-4.788551187	205.1141854	298.402531	189.6921999	0.000297236	281.6888205	164.099663	167.2570494	298.773648	336.1699377	154.7547153	0.000297236	213.0527762	186.3942016	0.000297236	0.000297236	156.7309243	151.7858233	0.000297236	134.9327577
13.00_714.5076m/z	714.5075546	13.00416667	neg	PE(14:1(9Z)/20:1(11Z))	HMDB0008867	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		36.5	0	M-H	C39H74NO8P	-0.522610975	33322.09018	41419.76968	42554.72314	41666.29279	44578.96815	43684.82018	42250.38246	45954.49311	44563.20773	49169.31415	46350.79799	47131.05599	1190.477144	27086.55764	38930.41588	51971.71223	60475.23068	55682.53926	49251.72925
13.27_407.0131m/z	407.0130622	13.27386667	neg	D-Galacturonic acid calcium salt	71721	Unclassified	Unclassified	Unclassified			36.5	0	M-H2O-H	C12H18CaO14	-3.152154983	2909.228837	4011.535977	4043.641789	2976.132089	4121.690672	4717.060613	3126.991429	4796.048175	5242.607558	3228.817635	4838.428198	5022.665873	3360.708569	3947.425348	2994.514343	3926.170542	2373.17557	4431.755088	2657.940162
14.52_381.2313m/z	381.2312928	14.51888333	neg	Cotinine methonium ion	HMDB0001365	Organoheterocyclic compounds	Pyridines and derivatives	Pyrrolidinylpyridines			36.5	0	2M-H	C11H15N2O+	4.429263642	5342.817911	5511.154083	4768.970758	1986.91454	521.0313716	1026.198708	1693.144314	430.7825044	1129.705681	543.6843742	1110.608266	2206.411671	963.4201526	1903.364155	1552.943316	527.1530047	1056.974716	2190.915343	1498.158041
15.89_227.2365m/z	227.2365121	15.891	pos	Heptyl ketone	HMDB0059813	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			36.5	0	M+H	C15H30O	-1.900122341	3506.743906	2580.416114	3251.210905	3330.634632	3238.636245	3643.793461	3889.550267	3905.80752	3473.490228	3864.336303	4095.040604	3598.245174	3890.371164	3480.589826	3625.47228	3779.947924	3427.675696	3615.508119	2894.464276
2.05_899.2797m/z	899.2796561	2.054766667	neg	"6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-6-[3-(2,4-dihydroxyphenyl)propanoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0126396	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			36.5	0	M+FA-H	C46H46O16	3.357028731	2770.31448	2210.355884	2940.901489	638.1119597	2867.767113	968.2879934	2281.97519	799.1705663	0.000297236	2070.972542	1073.366885	2086.617167	1945.047846	0.000297236	2738.74779	2176.150998	2074.746154	1322.394325	3921.19434
2.08_299.9729m/z	299.9729432	2.075433333	neg	"5-Trifluoromethyl-2,4-disulfamoylaniline"	3181	Unclassified	Unclassified	Unclassified			36.5	0	M-H2O-H	C7H8F3N3O4S2	-0.150714371	11112.24101	10131.76816	10439.80898	10959.23538	11489.48859	10758.28504	11276.88213	11087.87398	10226.91623	10241.33733	10288.21162	10239.08698	11118.4763	11071.07904	10477.65877	11732.71985	10968.68451	11233.9245	10758.18987
3.39_295.1274m/z	295.1273657	3.394966667	neg	Methdilazine	HMDB0015038	Organoheterocyclic compounds	Benzothiazines	Phenothiazines		C07175	36.5	0	M-H	C18H20N2S	-0.26167112	684.5447907	669.5761351	703.183691	257.6967266	1110.503301	611.6004124	1047.543735	186.0434294	196.4670046	1141.719025	815.7524079	122.2920987	1162.1361	1285.838908	852.8984837	632.6759878	811.434615	438.2036929	756.2189059
3.51_357.0679m/z	357.0679214	3.51475	neg	Inosine-5'-carboxylate	65946	Unclassified	Unclassified	Unclassified			36.5	0	M+FA-H	C11H12N4O7	-2.82055573	235.7798344	354.8458477	331.4475731	91.98057685	655.1883388	429.2061389	637.1377416	58.30085621	73.2898876	652.5815072	456.9849022	0.000297236	347.9963445	453.8827611	207.5928539	185.6554619	194.7162922	0.000297236	340.7547124
3.53_273.0754m/z	273.0754123	3.534466667	neg	Phloretin	HMDB0003306	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones	***	C00774	36.5	0	M-H	C15H14O5	-5.235019337	3102.441494	2750.069435	2886.716786	3036.649516	2854.093736	2885.333908	3085.781021	2454.441716	2514.258675	2841.286012	3178.439406	2654.125294	3029.89374	3438.546111	2715.672943	2770.244705	3035.564094	3055.348774	3380.68735
3.53_623.0874m/z	623.0874489	3.534466667	neg	"(5-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid"	HMDB0135073	Phenylpropanoids and polyketides	Flavonoids	Biflavonoids and polyflavonoids			36.5	0	M-H2O-H	C30H26O14S	1.500527915	3054.673439	3759.720578	4093.26117	4697.938893	3204.753425	4858.039199	3975.214668	3499.450903	3716.959141	4668.064186	4033.865779	4057.870711	3162.898948	5510.186366	3533.8202	4575.290012	4587.038546	4687.967816	3858.182348
3.53_859.1882m/z	859.1881823	3.534466667	neg	"5-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-13-(4-hydroxy-3-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0?,??.0?,?.0??,??]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol"	HMDB0125927	Phenylpropanoids and polyketides	Flavonoids	Biflavonoids and polyflavonoids			36.5	0	M-H2O-H	C46H38O18	0.238090168	7103.07235	7849.54962	7810.707564	6258.552187	6735.303717	7059.60602	7114.446878	4898.547317	5867.633666	7979.067389	9125.555148	6500.35181	6118.309557	7120.570122	8379.102873	7804.475658	8219.218734	8203.828283	9788.310371
3.60_339.0782m/z	339.0781697	3.597883333	neg	Cyanthoate	72733	Unclassified	Unclassified	Unclassified			36.5	0	M+FA-H	C10H19N2O4PS	-1.183107639	513.7056569	474.2587242	368.9265485	377.3833097	608.4966446	535.6060241	1087.463555	341.5828904	580.5031011	467.0023125	496.5622225	197.0023575	650.768322	581.1793983	524.1333944	421.5103325	396.159888	272.2264445	232.7670543
3.70_177.1273m/z	177.1273045	3.699366667	pos	Menthadienyl acetate	HMDB0038292	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		36.5	0	M+H-H2O	C12H18O2	-0.448424106	1710.661053	1450.108841	1521.569335	1483.009924	1563.880683	1709.65908	1706.677869	1641.471874	1323.473876	1566.534206	1620.606121	1539.877024	1466.808672	1663.294374	1546.079113	1946.248442	1474.954042	1573.77888	1524.229795
3.96_462.1763m/z	462.1762753	3.9553	neg	Ritodrine glucuronide 2	2358	Unclassified	Unclassified	Unclassified			36.5	0	M-H	C23H29NO9	-1.467634931	1941.760411	1569.141585	1685.821606	1830.597584	1626.068207	1675.368438	3249.002995	283.3950201	806.9314422	1778.014141	1837.31318	918.7812623	4974.883844	2699.474171	2215.978635	1216.464475	2284.245965	1074.299152	2340.200067
4.12_821.6404m/z	821.640376	4.11915	pos	PS(O-18:0/20:1(11Z))	78681	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			36.5	0	M+NH4	C44H86NO9P	3.148920414	3190.578478	3715.063133	3913.58075	4044.182235	3293.125249	7910.969034	1780.583752	3673.314365	7814.109874	3154.676084	3620.941184	3464.620304	1318.006292	587.4528234	636.1557147	973.563443	2211.643846	1377.406049	0.000297236
4.24_489.9561m/z	489.9561339	4.243883333	pos	Zalcitabine triphosphate	3065	Unclassified	Unclassified	Unclassified			36.5	0	M+K	C9H16N3O12P3	-3.785130197	342.746249	246.6054765	374.3942413	607.0045776	964.6833412	673.9758247	1206.422909	0.000297236	0.000297236	1181.962648	0.000297236	0.000297236	590.542286	937.5828222	719.922216	420.3199514	913.280349	157.0142601	1068.56473
4.29_493.2070m/z	493.2069542	4.288083333	neg	2-Methoxyestrone 3-glucuronide	HMDB0004482	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	**	C11132	36.5	0	M+FA-H	C24H32O8	-2.156590206	820.784511	825.9626859	861.905197	1066.199558	1051.93637	641.0399535	895.6740524	1410.116816	1243.644097	952.8471109	1054.907028	985.5754137	754.0027763	552.5992864	386.2096604	949.8093254	659.9239147	778.9973976	744.2209883
4.48_159.0843m/z	159.0843424	4.47925	neg	"2-Methyl-4-propyl-1,3-oxathiane"	HMDB0031572	Organoheterocyclic compounds	Oxathianes	Unclassified			36.5	0	M-H	C8H16OS	-3.543624	40.47484867	40.84165488	44.10736655	0.000297236	15.67211693	17.52235357	0.000297236	117.81346	162.0535043	0.000297236	0.000297236	66.53754464	0.000297236	13.01533196	0.000297236	0.000297236	0.000297236	14.65606795	14.77233593
4.54_360.2027m/z	360.2027163	4.5414	neg	Butoctamide hydrogen succinate	69512	Unclassified	Unclassified	Unclassified			36.5	0	M+FA-H	C16H29NO5	-0.189002809	119.8740695	151.0663364	180.5129382	0.000297236	56.33633021	381.3073409	74.14711969	940.3663088	362.346723	196.3044033	63.53863661	238.5845431	67.16755869	0.000297236	0.000297236	56.87873771	0.000297236	0.000297236	80.20006607
4.60_261.1844m/z	261.1844266	4.595183333	pos	2-Polyprenyl-6-methoxyphenol	HMDB0060355	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	**	C17552	36.5	0	M+H	C17H24O2	-1.8442589	1239.62616	1358.438611	1460.038858	1351.540631	1373.003123	1363.378441	1310.341707	1320.062021	1816.51593	1585.129108	1342.192281	1546.830215	1420.812653	1546.508815	1604.849736	1453.223804	1439.57343	1470.179494	1323.418113
4.75_338.0833m/z	338.0832822	4.7531	neg	Deacetoxycephalosporin C	64547	Unclassified	Unclassified	Unclassified			36.5	0	M-H2O-H	C14H19N3O6S	4.668227643	7165.761856	7717.188297	7355.603923	7791.362482	6071.691259	10287.52755	6305.734228	7307.750682	5456.055937	6931.186381	5518.973976	8508.242778	7310.07595	6326.502986	8929.981557	6133.607167	8010.769195	8585.302011	12902.7271
4.85_262.1117m/z	262.1117274	4.85115	neg	7-Mercaptoheptanoylthreonine	71251	Unclassified	Unclassified	Unclassified			36.5	0	M-H	C11H21NO4S	-0.476288537	122.6574091	153.1811951	171.036335	135.6588147	180.0147739	164.1028589	195.4901769	552.7849655	369.8171838	123.3408413	110.276894	188.9830717	191.0553718	123.8727918	173.3307534	83.41802212	157.1384955	176.8244656	132.6268724
5.04_206.0813m/z	206.0812937	5.038466667	neg	Rhexifoline	68065	Unclassified	Unclassified	Unclassified			36.5	0	M-H	C11H13NO3	-4.699106988	87.25463359	125.3598017	144.42276	91.48591919	119.7817852	826.1557588	67.78795548	19.73460974	0.000297236	247.0826464	90.74803873	0.000297236	30.5631542	25.54576059	191.0164636	104.6975089	110.5354486	95.27775745	49.06455823
5.24_361.2190m/z	361.2190414	5.239933333	pos	"9-Fluoro-2alpha-methylpregn-4-ene-3,11,20-trione"	70747	Unclassified	Unclassified	Unclassified			36.5	0	M+H	C22H29FO3	4.697093251	3533.124298	3192.904691	3118.36763	645.7258435	5643.097486	2914.928567	3737.533533	4675.263431	1867.053808	1606.156837	1878.484209	2738.00343	1186.432224	2508.076893	1318.19843	3846.186856	2186.073366	1829.997923	5990.243786
5.77_329.1174m/z	329.1173835	5.771433333	neg	Erybraedin E	LMPK12070010	Lipids and lipid-like molecules	Polyketides	Flavonoids			36.5	0	M-H2O-H	C22H20O4	-2.684160617	358.8734116	404.3650857	339.7183168	1208.202556	0.000297236	52.36844618	1035.796596	595.2946819	941.1629969	51.26715453	716.4615867	1099.585427	44.36161372	53.32795622	369.5827259	383.6367678	603.9158341	298.0851057	48.90501695
6.07_505.2032m/z	505.203246	6.0661	neg	13-Hydroxypergolide glucuronide	1794	Unclassified	Unclassified	Unclassified			36.5	0	M-H	C25H34N2O7S	3.65453646	8144.548901	8134.558261	8677.091073	15205.14541	3486.251654	10744.10106	6329.346111	15232.62412	6837.896634	3073.993233	5611.410514	15161.14108	5698.760774	10466.79246	7187.335326	9025.766345	9223.843323	11847.54189	9460.253566
6.50_359.2107m/z	359.2107291	6.49905	neg	2-Undecyl-4(1H)-quinolinone N-oxide	HMDB0032995	Organoheterocyclic compounds	Quinolines and derivatives	Quinolones and derivatives			36.5	0	M+FA-H	C20H28NO2	1.66157481	119.2502869	170.7963163	182.6218033	1691.861705	547.4156934	0.000297236	142.5970341	802.668143	0.000297236	1668.711272	202.4373183	572.2342575	155.5516705	1134.233441	4159.163433	2525.683702	379.1230211	603.3884346	63.9514175
6.93_290.1010m/z	290.100971	6.9307	neg	Ketotifen	HMDB0015056	Organoheterocyclic compounds	Cycloheptathiophenes	Unclassified			36.5	0	M-H2O-H	C19H19NOS	0.248775339	873.6572746	944.9836686	803.1554298	1000.632182	1519.011937	746.8178159	1428.889827	236.8558692	587.0994108	1416.645473	979.5224845	661.4252954	1197.26289	1091.841759	901.4705415	767.2768716	1258.161192	1268.2073	1033.159414
8.31_272.1852m/z	272.1851569	8.310216667	pos	3-hydroxyhexanoyl carnitine	HMDB0061633	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		36.5	0	M+H-H2O	C14H27NO5	-1.65241998	1318.375361	1569.220228	1350.631867	950.6580779	1495.46795	957.1894894	1287.853275	2136.92836	2003.414702	943.2638919	1128.769091	2107.736838	910.641794	941.8630806	806.0984475	833.9079091	825.5517102	793.3569124	920.9555921
9.83_528.3155m/z	528.3154622	9.832916667	neg	Tumonoic Acid H	65436	Unclassified	Unclassified	Unclassified			36.5	0	M+FA-H	C26H45NO7	-4.84856416	1098.921392	1130.187127	975.2989307	452.1896338	1332.408153	1496.464303	419.8909641	2801.32218	2402.367092	835.7874663	690.449512	1347.414522	1684.600261	1573.859472	836.1000963	915.2852032	977.1983092	839.5585789	716.2715669
9.86_304.1456m/z	304.1455509	9.8569	pos	Retigabine	69720	Unclassified	Unclassified	Unclassified			36.5	0	M+H	C16H18FN3O2	-0.100845066	93.92456677	75.58452665	116.1358175	0.000297236	0.000297236	101.2198459	208.9680721	0.000297236	230.7334953	0.000297236	89.39636248	379.1773465	87.40273556	102.1630621	239.7325255	102.1822655	114.5666209	0.000297236	172.5185658
0.38_223.1479m/z	223.147936	0.3825	pos	Dehydrofalcarinone	66981	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds		C08445	36.4	0	M+H-H2O	C17H20O	-0.795193022	4584.172129	3615.359765	3906.433977	3945.1753	4275.587009	4000.422869	4753.197513	3597.671494	3960.340407	3660.263314	4395.099481	3834.659689	4038.734175	3745.164322	3514.686174	4231.554973	3365.844109	4202.650564	3745.51601
0.59_158.0028m/z	158.002845	0.589883333	pos	Benzothiazole	88833	Organoheterocyclic compounds	Benzothiazoles	Unclassified			36.4	0	M+Na	C7H5NS	-4.783412718	5619.505671	6895.003514	6581.066302	4902.323581	4145.33119	3047.09652	4876.251379	7235.443781	9395.982013	5977.45751	4843.803963	5796.696245	4739.538814	5778.149597	5381.288797	5328.310451	4185.552886	5031.270349	4382.909927
0.61_341.0638m/z	341.0638043	0.60835	pos	"5,7,2',5'-Tetrahydroxy-6-methoxyflavanone"	53077	Unclassified	Unclassified	Unclassified			36.4	0	M+Na	C16H14O7	1.983181595	6721.726068	7050.019798	5876.882263	6557.053955	8229.95271	7330.433385	6324.301293	11528.90067	8613.14708	5064.82713	5403.850293	11682.29421	5783.931188	4985.121104	6174.178041	6327.108192	7175.686395	7690.792088	3973.520391
0.62_477.1668m/z	477.1667586	0.623133333	neg	Deoxypumiloside	71299	Unclassified	Unclassified	Unclassified			36.4	0	M-H2O-H	C26H28N2O8	0.068229515	3870.952672	2320.233011	3283.599014	3124.519549	2559.716442	2738.47154	2568.589699	2239.851529	1366.067012	2356.089462	3576.507351	2000.768351	4365.598919	3582.755809	2938.445144	3686.949768	2662.800464	4373.567561	4199.736812
0.64_136.0733m/z	136.0733447	0.643516667	pos	Epsilon-caprolactam	HMDB0062769	Organoheterocyclic compounds	Lactams	Caprolactams	**	C06593	36.4	0	M+Na	C6H11NO	0.530576665	8537.002156	8158.679082	6725.557291	9565.639251	5650.771562	5299.418719	9442.857666	8643.494882	7198.688256	6840.785603	8438.789041	14339.53012	7666.472656	7815.472114	7835.469978	7517.261639	7443.25854	7681.405177	8356.17072
0.71_292.0721m/z	292.0721474	0.712816667	neg	Icilin	64735	Unclassified	Unclassified	Unclassified			36.4	0	M-H2O-H	C16H13N3O4	-1.984681011	56243.59438	73037.48607	50532.03369	44331.25815	109327.7168	69004.34503	96646.85801	76014.80067	57039.04195	84885.26463	57487.54799	30618.50173	95330.15882	64046.779	147028.0962	53188.79941	74488.59804	54512.443	30763.29565
0.71_392.0599m/z	392.0599481	0.712816667	neg	2'-Deoxyguanosine 5'-monophosphate	HMDB0001044	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine deoxyribonucleotides	**	C00362	36.4	0	M+FA-H	C10H14N5O7P	-3.85867694	6113.192317	5874.936892	6816.259399	6022.319896	6011.798779	6918.302304	3485.805479	3265.269702	3727.805883	6054.023555	7531.278854	7481.238777	6532.27819	5985.305935	3484.117257	6599.136276	3175.170564	4407.545133	7196.647053
0.75_479.1172m/z	479.1171661	0.746966667	neg	"3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)propanoic acid"	HMDB0128682	Organoheterocyclic compounds	Benzodioxoles	Unclassified			36.4	0	2M-H	C11H12O6	-4.860468914	1326.947878	1253.373716	1456.762787	3519.467685	503.3635733	651.2182812	1129.435847	1159.609484	1772.765876	0.000297236	804.3703372	1398.149801	621.9668202	1828.419516	3045.640304	1479.400205	2944.811421	2061.009999	954.8509169
0.76_306.1292m/z	306.1292067	0.764	pos	Methitural	66681	Unclassified	Unclassified	Unclassified			36.4	0	M+NH4	C12H20N2O2S2	-4.29973888	4322.669588	7213.238186	6928.63266	4908.194184	10092.58284	5264.39619	8638.465425	2280.911579	1879.063504	9033.250568	4066.241254	3985.70876	8044.874412	6583.180579	5402.538653	5620.845596	6693.680251	3836.881021	7095.666571
0.90_374.1098m/z	374.1098375	0.898616667	neg	Lithospermoside	71891	Unclassified	Unclassified	Unclassified			36.4	0	M+FA-H	C14H19NO8	1.726012928	1055.77521	893.2760241	1209.310867	650.9202635	781.3675402	1300.3427	323.4389593	902.8756278	1579.127148	1103.786129	784.6127211	1958.927362	1061.727606	1094.765468	899.0050897	470.0026837	665.7498536	664.2925398	1201.574716
1.02_203.0339m/z	203.0338861	1.022333333	neg	2-Succinylbenzoate	63982	Unclassified	Unclassified	Unclassified			36.4	0	M-H2O-H	C11H10O5	-4.93680293	1844.750627	2073.556415	1942.381704	2011.048644	2117.750612	1833.922037	1931.124495	1740.886538	1734.778879	2037.14239	2041.157248	1643.071923	1976.738763	2189.279393	1974.340815	2075.093729	2329.996077	2027.76542	1908.268211
1.04_257.0577m/z	257.0576952	1.043083333	neg	Questiomycin A	HMDB0030483	Organoheterocyclic compounds	Benzoxazines	Phenoxazines	**	C02161	36.4	0	M+FA-H	C12H8N2O2	4.313833385	346.3148388	442.7706233	355.0359688	526.8170865	372.0978683	442.0317962	267.9655989	391.9152096	429.2446584	394.0166354	670.0141298	340.0915229	192.6924225	552.2067405	823.945733	536.7459588	480.992336	329.0777524	350.5693496
1.04_467.0765m/z	467.0764694	1.043083333	neg	Garciduol C	86856	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			36.4	0	M-H2O-H	C27H18O9	-1.587338413	803.0385708	747.8609381	923.6935633	1005.458562	1385.962372	1183.880705	129.1742275	657.0930786	0.000297236	2006.841811	919.3635716	499.7013969	2266.031204	1220.058168	919.6083088	566.9154886	1087.496611	0.000297236	1466.219844
1.10_441.0806m/z	441.0806233	1.098716667	neg	(-)-Catechin 3-O-gallate	HMDB0029255	Phenylpropanoids and polyketides	Flavonoids	Flavans	***		36.4	0	M-H	C22H18O10	-4.743518664	3583.278058	4612.544722	3843.431424	2001.62354	4801.081901	5645.187297	5434.56903	1102.522665	1226.0112	4175.740244	5188.589259	4328.392233	4830.347342	5578.89154	6002.128264	6883.50556	5961.250724	3664.579305	3534.041293
1.18_503.0485m/z	503.048474	1.1797	neg	"2,4,5-trihydroxy-3-[3-hydroxy-4-methoxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzoic acid"	HMDB0128345	Phenylpropanoids and polyketides	Depsides and depsidones	Unclassified			36.4	0	M-H	C22H16O14	3.462355195	2207.139556	1702.839144	1790.891099	1501.042638	1658.792591	1577.876857	1980.228954	978.8903971	893.944495	1434.850732	1221.702279	1607.312751	2394.505357	1758.430511	1228.400884	1558.119841	1538.623585	1282.123148	1572.023654
1.22_456.0266m/z	456.0266224	1.220333333	neg	Protogonyautoxin I	HMDB0033511	Phenylpropanoids and polyketides	"Saxitoxins, gonyautoxins, and derivatives"	Unclassified	*		36.4	0	M-H2O-H	C10H17N7O11S2	3.614577186	4909.706632	5781.771848	4168.901672	6982.866434	3280.363329	4723.933111	4481.647208	2726.681398	3335.488938	3960.369252	5701.539115	4928.926292	6138.106299	4592.112399	5652.545571	4855.289321	4503.331122	5721.527095	4910.850824
1.24_307.9822m/z	307.9821744	1.239083333	pos	xanthurenic acid 8-O-sulfate	HMDB0059741	Organoheterocyclic compounds	Quinolines and derivatives	Quinoline carboxylic acids			36.4	0	M+Na	C10H7NO7S	-4.803110072	2557.038219	2031.984545	3117.204987	0.000297236	9838.914408	0.000297236	2712.276941	0.000297236	380.103187	7540.270798	954.5424926	218.0147886	4202.825278	8440.570708	6375.471551	3505.916162	2890.570226	239.359217	1070.176891
1.26_536.1614n	1071.315543	1.259833333	neg	Galabiose	HMDB0029902	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C00760  	36.4	0	"M+FA-H, 2M-H"	C18H32O18	4.64128441	47308.33662	41471.77624	40417.27845	47870.64383	92959.58082	64897.3604	96243.04572	8113.832929	22143.70164	103093.1942	58322.71719	5929.531811	50775.27623	42172.56249	66346.2188	44724.75458	36796.7803	29714.27894	60593.98982
1.28_265.0410m/z	265.0409664	1.278416667	neg	Thidiazuron	72579	Unclassified	Unclassified	Unclassified			36.4	0	M+FA-H	C9H8N4OS	4.006710473	2721.327458	3888.608794	3529.255997	3862.176581	2215.971076	2318.559743	3069.136864	3953.149564	5118.996073	1981.553346	3166.620664	5094.972295	3997.381632	3668.128196	2306.7508	2962.542822	2709.526845	3152.630843	5417.57705
1.30_226.0745m/z	226.0744568	1.297066667	neg	Debromohymenialdisine	73418	Unclassified	Unclassified	Unclassified			36.4	0	M-H2O-H	C11H11N5O2	4.175162196	1971.465973	1823.99775	2021.307175	1608.134999	1481.690659	1892.16638	2299.205072	1500.376827	363.1391103	1561.078085	1636.285865	1542.402013	2107.416637	1766.44278	1375.565169	1684.411019	1854.908822	1590.772929	1946.233516
1.30_359.1113m/z	359.1113435	1.297066667	neg	"7,8-Dihydropteroic acid"	HMDB0001412	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	**	C00921	36.4	0	M+FA-H	C14H14N6O3	1.28075703	5409.673711	4455.124717	4496.162885	3397.72749	4123.759259	3334.860468	4318.694775	3899.611426	3562.494731	3382.425519	4842.433651	5241.312281	4911.524661	4765.222803	4100.483933	5153.778074	4451.20804	5774.72122	3523.092276
1.71_212.1153m/z	212.1153101	1.70895	pos	Caffeine	HMDB0001847	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	***	C07481	36.4	0	M+NH4	C8H10N4O2	5.713931043	428.4919746	367.0659388	595.6372796	189.6963651	549.3705995	679.1653586	596.7836448	364.5391151	349.7261829	226.0501252	296.1734435	113.0009534	439.4821034	568.3901194	502.4404912	329.4001868	337.9043357	240.1784536	680.7466113
10.04_553.3262m/z	553.3262403	10.04158333	neg	Promacyl	72715	Unclassified	Unclassified	Unclassified			36.4	0	2M-H	C16H23NO3	-3.73508377	9249.560209	11248.37539	10445.09123	6281.859457	8700.649453	8382.840408	8298.283196	3625.911841	3776.090259	8958.869823	6768.505968	5987.957124	9293.652853	8615.851554	8420.416118	7790.198728	7807.047567	5971.465047	8043.979035
10.30_816.2931m/z	816.2931216	10.29658333	neg	Phyllanthusol B	91107	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			36.4	0	M+FA-H	C35H49NO18	-0.058306132	8954.771843	6577.601952	8381.600815	10230.68991	8777.661436	8636.531816	7668.013986	7444.828361	8094.740055	9407.295304	8885.186961	7549.285161	9009.052739	9439.880812	8162.452181	9635.219771	12064.26974	11673.17444	11973.02125
10.61_548.3362m/z	548.336167	10.61446667	neg	"4S,5R-antillatoxin A"	65430	Unclassified	Unclassified	Unclassified			36.4	0	M+FA-H	C28H45N3O5	4.057985646	2336.425631	2127.041575	2883.866707	2857.5379	1961.269376	1425.426489	3340.229197	7179.528797	6217.079483	1113.809651	2350.554261	4590.395362	1447.766382	1177.23789	4269.601328	4276.508734	4230.699308	3248.319305	1395.345312
10.67_949.6237m/z	949.6237292	10.67348333	pos	"di-trans,poly-cis-undecaprenyl diphosphate"	LMPR03030008	Lipids and lipid-like molecules	Prenol lipids	Polyprenols	**	C04574	36.4	0	M+Na	C55H92O7P2	2.892116829	24940.43949	22710.70406	21471.67341	25659.28518	28837.72678	27325.9922	27686.03428	11864.56692	14269.39805	17260.22305	12716.16567	21827.07725	36596.85258	35266.29588	18634.79885	28811.37949	25807.2813	20784.74038	27625.17256
10.91_481.2573m/z	481.2573291	10.9122	neg	"1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]amino]"	1573	Unclassified	Unclassified	Unclassified			36.4	0	2M-H	C12H19NO4	3.710239166	552.9573911	710.7257281	568.9953041	674.2833927	2210.294084	1510.676335	245.9500203	542.0908512	1055.948455	626.724964	189.1466048	377.0019519	1211.291021	1054.590634	626.9343876	468.9126981	647.9134395	710.51671	1429.66647
10.93_466.3305m/z	466.3305248	10.93288333	neg	UNC0224	64826	Unclassified	Unclassified	Unclassified			36.4	0	M-H2O-H	C26H43N7O2	1.117340233	4077.052958	3967.159058	3946.373692	5245.517694	4204.548156	5093.86121	5275.343026	3111.540239	4791.948158	3699.88221	6115.400111	3347.987862	6200.464623	5861.720949	4814.441426	4457.237708	4508.387646	4990.833088	6185.053754
10.95_450.2640m/z	450.2639932	10.9545	neg	Cytochalasin Opho	HMDB0035366	Alkaloids and derivatives	Cytochalasans	Unclassified			36.4	0	M-H	C28H37NO4	-2.191604612	1513.184433	2271.112195	1819.524753	2054.328397	2199.453545	2036.887939	1489.051241	182.1620935	317.4764245	1196.117289	1454.074938	1181.800934	2860.190806	2451.747349	2118.780835	2091.366142	2463.792537	1719.575357	2322.053855
11.36_577.0673m/z	577.0672653	11.35938333	neg	GYY 4137	64818	Unclassified	Unclassified	Unclassified			36.4	0	2M-H	C11H16NO2PS2	4.371409555	7328.638401	4650.699633	6293.879409	4624.08712	6147.383867	5344.166025	6495.923552	5331.627476	4886.249342	6381.217969	6740.355362	6571.206032	6430.508797	5582.32234	6134.399634	7495.420649	5683.716677	6181.142118	5781.110458
11.49_305.0225m/z	305.022527	11.48636667	neg	4-Carboxy-4'-sulfoazobenzene	66485	Unclassified	Unclassified	Unclassified			36.4	0	M-H	C13H10N2O5S	-4.048591416	2555.966233	2537.336717	2415.663227	2342.09148	2801.70843	2617.235236	2783.825822	2587.44866	3127.633956	3008.319574	2794.199603	2421.544216	2645.024867	2099.479928	2722.601221	3040.632968	2464.898861	2908.850329	2421.128971
11.49_565.2870m/z	565.2869669	11.48636667	neg	Hordatine A	HMDB0030461	Phenylpropanoids and polyketides	2-arylbenzofuran flavonoids	Unclassified		C08307	36.4	0.876	M-H	C28H38N8O5	-4.013872298	7001.439	6487.133295	6845.939666	7411.131827	7332.155215	6776.832334	7392.419156	5381.922885	4828.008422	5625.757745	6811.974744	7875.930291	11141.05669	9225.871787	6605.884401	7191.314954	7267.812835	6700.31517	7197.160781
11.49_592.3231m/z	592.3231384	11.48636667	neg	OG-PE	LMGP20020036	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			36.4	0	M-H	C28H52NO10P	-4.160631391	3349.207076	2834.179746	3331.299391	3049.130426	3002.615779	2528.83264	2605.758394	1682.562004	1657.640529	1756.431809	1714.856369	2099.445628	3990.04621	3266.690252	2438.558091	2707.475601	2723.89994	2715.512352	3607.904072
12.10_495.3425m/z	495.3424615	12.09616667	pos	27-Hydroxyisomangiferolic acid	91240	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	**	C17568	36.4	0	M+Na	C30H48O4	-4.274777971	22499.919	19846.481	23345.00736	23031.37256	22471.75963	21572.95371	23308.6518	19144.40257	24972.50997	18911.46814	23284.59273	21731.67701	21626.20017	24712.78977	19141.12035	23798.27271	26422.44086	22712.20288	23879.43399
12.54_519.1505m/z	519.1505354	12.54275	neg	Lippioside I	89813	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		36.4	0	M-H2O-H	C25H30O13	-0.491438864	4936.611621	4432.605433	4149.434707	4759.728279	4749.393476	4551.621738	4095.642368	4256.33105	5024.538011	4972.822748	5424.249377	5126.488051	5602.365257	5122.496893	5588.246418	4646.282967	4112.599281	4112.621336	4038.202161
12.95_371.2267m/z	371.226694	12.94513333	pos	1-epi-Fortimicin B	71974	Unclassified	Unclassified	Unclassified			36.4	0	M+Na	C15H32N4O5	0.5834562	5744.222987	4190.364767	5627.062514	4529.40916	5664.973825	5102.137824	6472.951416	5541.070261	3073.916135	5276.785916	5545.384664	4939.559835	5409.430931	3680.725734	5786.045197	5838.091617	6708.003499	5376.618317	5871.960919
15.50_429.0871m/z	429.0870725	15.5042	pos	Sclerotiorin	62989	Unclassified	Unclassified	Unclassified			36.4	0	M+K	C21H23ClO5	1.314643732	2995.245304	2828.8665	2879.704073	3187.098238	3459.469661	3103.006326	2899.99388	3152.199252	3036.608806	3322.526726	3052.838964	2502.449135	3090.425853	2655.42469	3685.277123	3483.814098	2781.629298	2998.614858	3177.709505
2.10_453.0115m/z	453.0115056	2.097366667	neg	Primisulfuron	72644	Unclassified	Unclassified	Unclassified			36.4	0	M-H	C14H10F4N4O7S	-4.07586816	7008.453414	8239.254854	8281.966916	8037.745899	8284.032864	8397.108168	8268.693197	8065.125859	8232.292773	8173.443156	7253.89162	7753.520814	7518.434306	7398.474829	7459.145973	7796.578887	8076.366769	9032.359353	7130.477302
2.14_213.1847m/z	213.1847279	2.13775	pos	"8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane"	102874	Unclassified	Unclassified	Unclassified			36.4	0	M+H	C13H24O2	-0.841337731	35391.76285	29579.81919	30890.46803	33960.82537	29645.63341	33026.22873	32962.58988	32455.73785	30601.31287	32181.73491	35391.87841	31402.59129	29761.51742	30516.43376	32988.95916	31315.45257	31593.4193	31893.76702	29098.9853
2.82_284.1871m/z	284.1870929	2.823766667	pos	TEGASEROD	44186	Unclassified	Unclassified	Unclassified			36.4	0	M+H-H2O	C16H23N5O	0.401113442	2089.600064	2867.986817	2556.937318	1964.923645	3117.346957	2340.923148	3437.994424	3143.034866	2501.023166	1959.334774	3329.015134	4510.810381	3179.543836	3424.642597	2887.15723	3436.202786	2011.184694	2332.575454	3492.446723
2.93_253.0302m/z	253.0301822	2.9252	neg	7-Aminocephalosporanic acid	64538	Unclassified	Unclassified	Unclassified			36.4	0	M-H2O-H	C10H12N2O5S	4.891991811	716.0920036	855.2200092	877.0306008	589.7919603	866.1411628	692.0464229	448.5088451	3091.754156	2255.222921	680.5717823	585.438202	1277.35028	564.7358033	453.6994258	369.7576769	346.2245713	486.1471241	538.2024367	222.845435
3.35_177.1273m/z	177.127284	3.353616667	pos	8-Ocimenyl acetate	HMDB0039685	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		36.4	0	M+H-H2O	C12H18O2	-0.55399058	4296.527033	4390.006251	3995.696183	4151.554035	4317.065613	4350.559513	4682.846059	4126.200733	4164.096164	4388.809254	4337.350349	4548.848826	3951.807305	4242.099278	4147.713005	4462.835467	4021.057008	4332.94225	3904.337959
3.70_280.1453n	263.1420127	3.699366667	pos	7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one	HMDB0033295	Phenylpropanoids and polyketides	Diarylheptanoids	Linear diarylheptanoids			36.4	0	"M+H-H2O, M+H"	C19H20O2	-3.672988156	981.5993778	1028.650671	892.6817059	593.5790159	1263.259339	831.6789819	1561.638373	352.1360409	253.1777544	1333.39549	791.4797398	443.6659417	1362.841471	1659.164214	1816.510168	1194.841039	1299.731827	750.4933812	1417.14239
3.80_257.1739m/z	257.1738533	3.80485	pos	3-Hydroxytetradecanedioic acid	5383	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		36.4	0	M+H-H2O	C14H26O5	-3.218415598	1518.839386	1508.786245	1430.365911	1633.535167	1687.776873	1378.809808	1508.26641	1352.507174	1173.875674	1919.849834	1279.339503	1433.442127	1412.823588	1649.904345	2008.491546	1714.654671	1391.33207	1799.831486	2012.507104
3.89_535.2769m/z	535.2768727	3.890083333	pos	"PS(18:4(6Z,9Z,12Z,15Z)/0:0)"	78845	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			36.4	0	M+NH4	C24H40NO9P	-1.974551835	3713.486148	2806.434945	2887.679433	4674.13697	5531.633947	5717.109393	3163.112759	994.463169	9.944658924	3552.650699	3994.375793	2342.062425	1709.196091	2407.622675	3056.02589	4690.364445	4770.646718	3312.875448	4345.399074
3.96_351.0731m/z	351.0730642	3.9553	neg	Decarbamoylgonyautoxin III	94677	Phenylpropanoids and polyketides	"Saxitoxins, gonyautoxins, and derivatives"	Unclassified	*		36.4	0	M-H	C9H16N6O7S	0.632745799	260.6024819	239.4937505	286.0919624	260.4073516	350.9215276	312.8554629	293.5238112	397.0144739	504.1284377	447.9505102	337.1969745	468.8507268	335.1874821	211.9754439	409.6348088	290.6249523	278.7182512	336.6454054	347.7709591
4.31_399.2311m/z	399.2311167	4.306116667	pos	"CPA(18:2(9Z,12Z)/0:0)"	58642	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	*		36.4	0	M+H-H2O	C21H37O6P	3.914601955	1102.958128	1212.471728	898.2493358	1288.057725	931.9702913	1799.580079	909.5801522	1035.546227	637.3111494	815.7614244	823.9638608	456.8057863	1150.550796	1155.924011	1476.230163	1045.714318	1669.26068	1488.509244	1534.782665
4.71_193.0690m/z	193.0689662	4.7107	neg	"S-2,5-Dimethyl-3-furanyl 3-methylbutanethioate"	92121	Organosulfur compounds	Thioethers	Aryl thioethers			36.4	0	M-H2O-H	C11H16O2S	-1.383756577	53.09480045	46.01619761	51.26651192	0.000297236	0.000297236	0.000297236	0.000297236	262.868031	388.5630343	16.60569674	18.72083501	203.2002359	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	18.39129595	0.000297236
4.92_268.0262m/z	268.0262367	4.92085	pos	N-Tris[hydroxymethyl]methyl-2-aminoethanesulfonic acid  [TES]	44793	Unclassified	Unclassified	Unclassified			36.4	0	M+K	C6H15NO6S	4.673073829	946.4588422	1114.471203	1079.187695	1909.043412	1246.69042	797.133295	1667.440832	1947.999258	1860.692622	1632.78011	1444.73827	1008.208924	2078.476128	1969.733041	1808.658727	2299.541291	1139.911559	1465.204779	1823.414923
5.06_202.0170m/z	202.017031	5.0602	neg	S-(3-oxo-3-carboxy-n-propyl)cysteine	HMDB0002135	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.4	0	M-H2O-H	C7H11NO5S	-4.168166743	149.6454672	185.3846884	190.2421891	150.3263007	119.615018	219.4098156	159.6212657	329.2419192	330.3550258	181.0610055	190.4272274	180.740574	189.596942	126.4862648	121.3168101	101.5125969	183.5614451	145.7276331	173.2765042
5.12_218.1383m/z	218.13827	5.123166667	pos	Matsutakic acid A	HMDB0036715	Organic acids and derivatives	Hydroxy acids and derivatives	Medium-chain hydroxy acids and derivatives			36.4	0	M+NH4	C10H16O4	-2.071550538	1717.668803	1479.342164	1449.423331	1348.634032	1862.104808	1536.068805	1321.945172	1649.763136	2091.967083	1356.765331	1872.230352	1198.69129	1335.037141	1874.014379	2006.818401	2052.446243	2196.101305	1458.914115	2205.761189
5.62_231.1374m/z	231.1374263	5.618966667	pos	"15-octadecene-9,11,13-triynoic acid"	LMFA01030559	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		36.4	0	M+H	C15H18O2	-2.302680203	642.9265277	716.5510057	760.8685951	784.5774915	699.4113665	747.6831494	720.4335824	629.7267843	640.5568241	611.4136013	623.6629584	657.7568215	351.8978502	526.4241127	634.5823616	588.4337385	581.4372974	772.5213069	620.173167
7.49_487.1926m/z	487.192559	7.4858	neg	14-Hydroxypergolide glucuronide	1793	Unclassified	Unclassified	Unclassified			36.4	0	M-H2O-H	C25H34N2O7S	3.413069996	6123.458055	5788.506028	5551.069281	6667.055633	3865.885333	8247.470432	3655.407378	7828.499288	3726.545086	5557.365553	4317.883306	3859.853229	12561.08388	8405.589926	7571.713029	4979.733929	5695.97155	5335.658515	7283.919227
7.83_257.2106m/z	257.2106102	7.832266667	pos	MG(i-12:0/0:0/0:0)	HMDB0072860	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	*		36.4	0	M+H-H2O	C15H30O4	-1.863624355	989.4504386	1059.141642	815.1946055	942.8399355	915.9697146	973.2976029	981.580565	797.366205	916.2650951	868.8121152	1018.2891	793.7103423	845.9712297	1067.307179	902.2632965	1012.568841	1022.643053	944.6328125	917.9660137
8.67_271.2264m/z	271.226426	8.668066667	pos	8-keto palmitic acid	LMFA01060055	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		36.4	0	M+H	C16H30O3	-1.277783911	2733.708191	2482.799092	3020.194974	2942.417045	2730.66506	2807.193583	2647.022817	2678.545103	3415.247633	3032.230525	2849.820073	2849.410751	2502.107553	2654.156326	2925.338925	3228.992424	2999.580538	2661.841123	2576.650243
9.87_484.2894m/z	484.2894121	9.874866667	neg	Pederin	71091	Unclassified	Unclassified	Unclassified			36.4	0	M-H2O-H	C25H45NO9	-4.32897203	1115.600327	1467.96792	1189.544334	1528.065835	1964.081448	1243.014218	1693.600929	2079.604199	3086.221267	743.804277	1664.873129	2722.757698	1684.937298	1480.609255	1362.029011	1162.934626	1138.462028	1152.5755	1354.775432
0.16_195.1380m/z	195.1380238	0.159816667	neg	11-oxo-dodecanoic acid	74726	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			36.3	0	M-H2O-H	C12H22O3	-4.808079862	1724.332058	1585.126652	1681.509018	1507.400795	1666.347225	1592.44175	1639.959817	1648.579522	1867.996562	1788.569363	1710.833029	1620.829318	1686.292081	1749.698572	1634.369773	1894.909418	1585.769925	1603.651567	1721.099595
0.36_269.2835m/z	269.2835433	0.364	pos	Hexanal dihexyl acetal	88357	Organic oxygen compounds	Organooxygen compounds	Ethers			36.3	0	M+H-H2O	C18H38O2	-1.21868311	10452.94675	7923.520342	8878.270204	8666.117858	8082.840027	9538.278896	9959.182485	9926.877199	9714.366635	9403.026943	9686.377309	9068.992444	8466.631242	8697.433949	8619.349698	9415.509781	8215.539364	8649.377422	9144.829663
0.62_325.1509m/z	325.1508888	0.623133333	neg	(R)-Lisofylline	45571	Unclassified	Unclassified	Unclassified			36.3	0	M+FA-H	C13H20N4O3	-3.050450519	397.887476	421.4187735	293.8091361	467.9629735	375.395571	376.7331729	656.5609183	339.8612413	430.8328518	293.605959	321.1710815	793.4619667	428.5097439	389.8076197	326.6756522	223.2848042	381.5242825	330.9785079	493.8593497
0.62_409.1800m/z	409.1800069	0.623133333	neg	Benfuracarb	68816	Unclassified	Unclassified	Unclassified			36.3	0	M-H	C20H30N2O5S	-0.633227338	4145.291342	3105.951149	3774.304059	4237.665224	3316.591457	3207.379875	2546.317829	2951.790671	1902.669695	3474.330487	3630.262301	2834.75429	5324.967341	4242.246862	2925.609002	3342.345492	3387.21782	4355.70984	5088.10467
0.62_427.0034m/z	427.003417	0.623133333	neg	Ticarcillin disodium	69762	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C07139	36.3	0	M-H	C15H14N2Na2O6S2	4.267988177	9421.875697	8622.159989	8261.247451	9748.521443	8838.111887	8643.734577	10290.33848	6530.557769	7649.977006	8066.075604	11585.17652	7285.166084	9290.519411	10769.37994	8717.808568	11116.8769	9499.140162	11413.26925	8043.654086
0.71_343.0907m/z	343.0906742	0.712816667	neg	7-Methylxanthosine	64465	Unclassified	Unclassified	Unclassified			36.3	0	M+FA-H	C11H14N4O6	3.814868799	8103.897716	8462.651685	5192.481756	10435.64859	2565.523289	4063.546321	8632.643414	4807.310597	3198.920706	3391.162576	9724.275365	6624.439051	8216.247314	6218.694081	9730.854221	8082.51672	8281.639484	6242.919226	4959.543584
0.71_381.0644m/z	381.0644009	0.712816667	neg	{4-[(1E)-3-(4-hydroxy-2-methoxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid	HMDB0130353	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Cinnamylphenols			36.3	0	M+FA-H	C16H16O6S	-1.670012603	46248.07203	47412.06991	44257.681	50810.98205	57246.09976	59788.63856	43219.53742	76311.35655	54918.81723	48552.16999	47356.20798	45010.17	33661.5502	39929.92392	39958.76205	40305.29039	36565.57225	50003.18857	45521.78965
0.71_403.1484m/z	403.1483978	0.712816667	neg	Fluoranthene	73126	Unclassified	Unclassified	Unclassified			36.3	0	2M-H	C16H10	-2.0447792	4092.797169	3014.735408	3551.698364	0.000297236	7878.916498	5608.854801	9065.630186	357.4231557	2014.550482	13302.92355	2463.581882	406.8064568	9201.105445	8396.190598	16763.11094	3686.930793	13912.85935	351.6911444	1797.530251
0.73_292.9233m/z	292.9233283	0.7299	neg	(±)-Glycerol 1-monophosphate K salt (1:2)	94876	Unclassified	Unclassified	Unclassified			36.3	0	M+FA-H	C3H7K2O6P	-1.260656919	118009.6844	109386.4889	120774.3736	160885.644	87986.51068	95451.67156	108965.5015	94462.82831	106270.5916	89931.51205	128409.0006	139544.7579	125343.8382	132674.7684	123637.7884	148058.5411	120657.5408	161541.7935	136109.1443
0.85_383.0805m/z	383.0805195	0.850933333	pos	"3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-sulfino-3,4-dihydro-2H-1-benzopyran-7-olate"	HMDB0127811	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids			36.3	0	M+H	C17H18O8S	2.629092574	74812.63013	66644.84228	73895.27963	57479.59925	90350.28711	65035.93165	81502.74324	35551.28789	37031.25153	78666.07003	65030.37904	49376.41167	80909.50878	66096.27874	62074.34704	68923.01434	72015.1995	59646.36168	70173.932
0.86_317.0623m/z	317.0622678	0.85685	neg	Captopril-cysteine disulfide	HMDB0060562	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.3	0	M-H2O-H	C12H20N2O5S2	-3.733756561	1253.975396	1112.520688	1069.367119	1663.767127	204.5363238	899.6735006	743.8839229	1505.817274	1406.723457	1074.438386	971.5229396	1599.256147	641.7459401	930.4977975	752.849896	616.2634525	437.2279769	847.7516747	1471.768642
0.96_269.0255m/z	269.0254875	0.958133333	neg	Terbufos	72471	Unclassified	Unclassified	Unclassified			36.3	0	M-H2O-H	C9H21O2PS3	-2.78055456	51887.41551	54763.85304	59197.32861	50153.80123	54474.52369	57907.72795	60407.78244	54043.83985	56820.92194	60698.02364	58438.07817	45242.04618	57348.18417	49368.41603	56154.08566	51564.05511	53525.21517	59370.58433	65908.90665
1.12_296.0795m/z	296.0795052	1.118383333	pos	CARMOFUR	43550	Unclassified	Unclassified	Unclassified			36.3	0	M+K	C11H16FN3O3	-4.754758017	2344.750102	2337.275586	1576.749068	2427.641716	2430.015882	2697.831101	2891.220693	1886.255628	2460.74552	2336.681929	1795.943676	765.2307486	2204.255321	2133.284796	2339.646316	3069.670673	2578.069111	1305.2309	2392.393719
1.12_299.0376m/z	299.0376137	1.118516667	neg	Cysteine-Homocysteine disulfide	40	Unclassified	Unclassified	Unclassified			36.3	0	M+FA-H	C7H14N2O4S2	-0.34688195	1495.895365	1488.013181	1370.541921	1355.695934	2103.2163	1936.376782	1652.977883	2810.649281	1495.963011	2701.775855	1312.493359	821.3982059	1041.318345	1196.388183	1667.403813	1935.216375	2779.107215	603.5848313	946.1180142
1.26_451.1080m/z	451.1079721	1.259833333	neg	"[(1-{10-butanoyl-5,7-dihydroxy-8,8-dimethyl-2-oxo-2H,6H,7H,8H-pyrano[3,2-g]chromen-4-yl}propan-2-yl)oxy]sulfonic acid"	HMDB0130104	Phenylpropanoids and polyketides	Coumarins and derivatives	Pyranocoumarins			36.3	1.47	M-H2O-H	C21H26O10S	2.43584884	13636.53872	13667.41802	14882.89781	7952.373563	22826.30244	4460.420825	9812.543379	68982.86123	16078.81009	3718.926707	6597.551336	10023.86168	13250.8098	7439.900207	6779.243708	4766.398644	7178.523504	10133.05859	9398.83667
1.26_593.1127m/z	593.1127222	1.259833333	neg	Sulindac sulfone glucuronide	2609	Unclassified	Unclassified	Unclassified			36.3	0	M+FA-H	C26H25FO10S	-1.326223049	29842.33411	29669.11069	32792.05209	34587.5853	39469.82383	37964.67059	44087.31132	19222.87282	25430.6761	40437.65186	32882.26939	9820.530499	32010.07384	30560.0756	35061.48615	31756.22131	29754.62909	31011.88863	31762.54282
1.28_205.0643m/z	205.0643056	1.278416667	neg	Methionyl-Glycine	HMDB0028973	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.3	0	M-H	C7H14N2O3S	-4.51930714	964.8166438	747.9390648	1166.893265	245.8122683	1282.885412	590.6958394	990.2865656	0.000297236	196.6127886	811.3272213	602.9392178	201.3038004	1086.720278	1494.986778	922.1284221	922.5997323	1287.45199	444.1073617	1108.295156
1.28_270.0809m/z	270.0809012	1.278416667	neg	Methiocarb	72437	Unclassified	Unclassified	Unclassified			36.3	0	M+FA-H	C11H15NO2S	1.548912063	2844.443852	2633.793529	2754.070885	2040.874207	2886.014258	3736.091479	3712.269021	1977.692801	2185.728886	3830.788175	3374.925318	1661.680099	3122.545954	3012.527655	2981.842922	3010.276138	2849.188583	2578.830284	3200.726208
1.34_256.9506m/z	256.9506418	1.335283333	pos	4-hydroxybenzoic acid-4-O-sulphate	HMDB0059982	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			36.3	0	M+K	C7H6O6S	-4.702963499	4495.407328	3954.213012	5243.831091	1535.130015	4945.813874	1752.667424	2451.361626	7414.261683	8837.863127	1561.109819	3265.591476	5421.007075	4097.977702	5169.855149	4050.506013	3921.214799	4335.305634	2464.450183	4539.381333
1.34_450.1333m/z	450.133274	1.336933333	neg	"(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene"	HMDB0060299	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C14793	36.3	0	M-H	C20H25N3O7S	-1.708478406	1446.79799	985.4123751	1438.699309	136.4270636	1736.797311	207.6216479	332.6798298	3318.000603	2502.962623	212.21037	895.996556	1422.37353	924.9184155	2254.735685	1636.805594	845.1516756	699.6142127	571.8224739	1427.729201
1.44_244.1533m/z	244.1532803	1.438566667	pos	"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid"	LMFA01170130	Unclassified	Unclassified	Unclassified			36.3	0	M+NH4	C12H18O4	-4.662499894	1600.348932	1279.570751	1313.812744	1398.689811	1387.0637	1383.184919	1212.488164	1058.6998	906.2674781	1365.145487	1252.543023	849.4986083	1262.647772	1089.566422	1155.052082	983.5345565	1028.745634	972.6439165	1399.670389
1.53_307.1221m/z	307.1220599	1.533166667	pos	Daimuron	72235	Unclassified	Unclassified	Unclassified			36.3	0	M+K	C17H20N2O	4.991505099	32166.66042	35725.9795	31224.27103	38203.62884	31436.48261	24547.4506	26071.44443	19569.87757	24139.97652	23049.54761	29945.70136	35231.17351	42687.69971	43051.2431	38705.06289	39578.91309	37463.95377	46479.24871	37363.35179
1.53_464.0759m/z	464.0759039	1.526883333	neg	N-Acetyl-5'-hydroxysulfapyridine glucuronide	2556	Unclassified	Unclassified	Unclassified			36.3	0	M-H2O-H	C19H21N3O10S	-2.111145111	1222.970395	1324.078804	1383.431056	1007.213435	685.1169216	4546.885034	511.4026671	3598.363497	3743.20324	1167.570402	740.6689388	665.3108008	498.5584653	258.1217769	186.9925647	494.1799857	213.2217095	210.1318198	158.4148945
1.59_238.0209m/z	238.0208825	1.59115	neg	ERYSOLIN	43501	Unclassified	Unclassified	Unclassified			36.3	0	M+FA-H	C6H11NO2S2	-2.28458591	1645.78573	1716.802413	1660.151176	3681.918942	1775.603753	428.3491973	2445.552605	304.1448757	370.9908647	769.5304006	1927.818868	1305.138619	1660.836937	1400.949096	2503.019787	2316.133878	2808.311525	1922.065671	2076.481846
1.78_521.2463m/z	521.2463236	1.781066667	neg	Yellow OB	73226	Unclassified	Unclassified	Unclassified			36.3	0	2M-H	C17H15N3	0.775640366	87.76648566	90.47145837	107.5658379	105.716436	121.8798136	138.0692551	147.16949	103.7314549	0.000297236	194.5342588	311.2833311	228.8949909	0.000297236	100.1597527	0.000297236	131.8322023	235.8632822	247.1696156	203.8773395
1.95_298.0770m/z	298.0770362	1.949816667	neg	3-O-Methylrimiterol sulfate	2339	Unclassified	Unclassified	Unclassified			36.3	0	M-H2O-H	C13H19NO6S	4.947907746	429.2786028	355.8567952	463.3257298	14.97572839	53.76871159	32.97854798	22.76088739	8207.649544	1389.389265	11.92473288	20.23333389	130.456376	26.51974104	30.07801616	15.89525302	37.99218517	22.17352542	36.72729822	24.90361165
1.98_299.0806m/z	299.0806332	1.98295	pos	5'-S-Methyl-5'-thioinosine	73361	Unclassified	Unclassified	Unclassified			36.3	0	M+H	C11H14N4O4S	-0.735278836	8030.659119	10133.29789	8194.980874	9718.382827	8211.898049	7829.778975	7415.407511	4558.856527	3224.835995	8928.501677	7318.911356	7208.412065	9809.895927	9581.05732	10119.94209	9949.054221	8670.226761	8317.836879	10392.34059
10.06_476.2394m/z	476.2394477	10.06331667	neg	Almitrine	869	Benzenoids	Benzene and substituted derivatives	Diphenylmethanes			36.3	0	M-H	C26H29F2N7	3.088016338	2017.41065	1254.038414	1873.692955	2274.749795	2261.407423	2610.267658	3748.104207	1485.378165	2200.436805	2269.662473	2751.172593	1949.072044	2863.823099	3044.598367	2349.624117	1853.674762	2218.605984	2393.620554	2684.720257
10.25_648.2084m/z	648.208377	10.25406667	neg	7-Hydroxypipotiazine glucuronide	1971	Unclassified	Unclassified	Unclassified			36.3	0	M-H2O-H	C30H41N3O10S2	4.318836535	5741.415101	5389.245866	6122.425855	6939.231276	6994.306523	5977.917192	6731.305022	3504.295023	3196.524201	5266.015872	5662.069739	3661.530586	6683.712491	4244.277647	5184.531287	6554.618108	7607.349604	6126.810528	5143.013083
10.36_237.2209m/z	237.2208899	10.36063333	pos	11-hexadecenoic acid	34925	Unclassified	Unclassified	Unclassified			36.3	0	M+H-H2O	C16H30O2	-1.58134477	436.7436197	670.1250193	604.0656357	572.5135518	591.4243008	507.6079155	663.7062015	608.3968587	703.4244384	499.1565299	521.4757691	570.5472965	603.1990633	441.9347661	489.9380629	481.5103063	337.7797174	236.0209823	553.580907
10.38_530.2512m/z	530.251164	10.38106667	pos	Raucaffricine	64344	Unclassified	Unclassified	Unclassified			36.3	0	M+NH4	C27H32N2O8	2.874701366	1338.23096	1162.108623	1821.122846	1264.414294	3129.678618	3131.200693	1249.749874	610.5390187	1362.341445	1229.166039	1102.705088	2754.945418	3047.412555	1601.288231	1685.317903	2572.196381	1588.03202	1529.657967	3786.311537
10.42_295.2276m/z	295.2275555	10.42301667	neg	"3E,4Z,7,11-Tetramethyl-6,10-tridecadienal"	46459	Unclassified	Unclassified	Unclassified			36.3	0	M+FA-H	C17H30O	-1.250647686	418.547396	403.0728211	560.4162178	143.99394	673.3677971	499.6325753	225.6247198	944.6892418	580.5206347	357.7421584	272.4438232	838.5417897	346.6453099	163.5333944	524.1895881	408.251786	378.6288253	400.3274863	155.4496995
10.66_513.0349m/z	513.0349043	10.65788333	neg	"[5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid"	HMDB0132728	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			36.3	0	M-H	C20H18O14S	0.884221054	3273.433823	2237.290852	4077.636735	3531.061014	3758.228337	3780.246339	3545.51096	2994.383291	2713.174799	3411.141699	3784.393899	1603.046725	3196.499213	2665.231919	3505.700085	2689.66354	2769.727879	2841.775241	2775.688635
10.69_255.2314m/z	255.231399	10.69353333	pos	(Z)-14-Methyl-6-pentadecenoic acid	95819	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		36.3	0	M+H	C16H30O2	-1.800231219	2970.906459	2535.239668	2917.809238	2589.147017	3171.837853	2691.065014	2115.547018	2666.486976	3878.211695	2612.194274	2638.431738	2664.577074	2318.728458	2638.691822	2678.355321	2616.095532	2244.864295	2708.666654	2913.870461
10.74_461.0993m/z	461.0993301	10.74271667	neg	O-Carbamoyl-deacetylcephalosporin C	64546	Unclassified	Unclassified	Unclassified			36.3	0	M+FA-H	C15H20N4O8S	2.265283189	5335.42558	4175.017553	4177.651768	4675.348122	4667.422596	4868.852599	3896.775866	4437.845766	4452.278103	4129.829835	4649.948769	4318.7594	4832.58452	4283.016573	5245.139067	5002.764118	4245.050152	4307.971938	4236.011054
10.76_491.0136m/z	491.0135643	10.76428333	neg	Amobam	72255	Organic acids and derivatives	Dithiocarbamic acids and derivatives	Dithiocarbamic acid esters			36.3	0	2M-H	C4H14N4S4	1.178406304	5798.341963	5913.665664	5752.935936	7560.496744	6232.258399	6397.620116	5622.121074	6396.378157	6347.559203	6174.022389	7004.916323	4548.340122	5580.555343	6256.739445	6109.575558	6330.049963	5842.292356	6259.890636	6464.447833
11.04_534.2812m/z	534.2812013	11.04015	neg	PS-PE	LMGP20020033	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			36.3	0	M-H2O-H	C25H48NO10P	-4.592273077	1394.758769	965.3283604	1422.841124	1655.843618	1529.495818	1212.504162	1932.918259	1268.833634	1873.651197	1008.465477	1808.196977	2278.51602	1769.86268	1073.401146	1975.854386	1946.744831	2270.006776	1338.591848	1332.877662
11.17_561.0924m/z	561.092355	11.16756667	neg	"(3-{3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid"	HMDB0126698	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			36.3	0.115	M+FA-H	C21H24O13S	0.756344016	11408.38573	8399.77474	8941.630271	9594.214573	9249.01802	9458.192776	9530.342133	8892.995605	11008.66455	9942.397548	8865.6146	12083.62764	10686.99185	10180.27767	10879.91414	10142.05199	11135.81563	10513.48655	9209.220434
11.19_551.0501m/z	551.0500844	11.1889	neg	"5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene"	HMDB0034454	Organoheterocyclic compounds	Bi- and oligothiophenes	Unclassified		C04485	36.3	0	2M-H	C14H12O2S2	2.930067701	3657.775096	2497.099745	3218.567643	2284.38196	3329.773896	3151.714103	3092.79327	3199.167307	3251.237372	2947.961456	2687.687537	3761.501046	2843.010384	3663.578999	3434.509764	3914.597758	3096.100978	3756.584198	3640.831956
11.29_586.4517m/z	586.4516913	11.2942	pos	Sulfobacin SL3	LMSP00000021	Lipids and lipid-like molecules	Sphingolipids	Other Sphingolipids			36.3	0.616	M+H-H2O	C33H65NO6S	2.849853931	16885.73757	14937.91467	15913.09906	17542.28127	14671.36057	14552.48514	15531.59651	16118.32338	15295.395	15577.71332	15997.69888	15969.87317	14456.60484	14629.04792	19394.76716	18649.70846	16008.58451	15062.88744	17106.4225
11.56_590.4256m/z	590.4255806	11.56191667	pos	IC202A	LMFA08020182	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			36.3	0	M+NH4	C27H52N6O7	3.506446002	1439.437659	1775.802717	2087.740005	1302.282589	0.000297236	0.000297236	2826.479053	498.978258	1864.245198	422.9801989	3251.546288	713.5496576	633.1585066	15335.58053	513.1634196	614.4520429	11703.77887	2069.06883	2962.875086
11.95_295.2276m/z	295.2276064	11.95288333	neg	"8,11-Heptadecadienal"	HMDB0041334	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes	*		36.3	0	M+FA-H	C17H30O	-1.047139823	667.8888511	583.3062315	688.8320708	343.5399205	738.3691082	364.9365751	365.9690632	459.8361568	285.1491816	444.4612934	357.1602865	343.4639554	770.6342693	575.8385609	495.4719683	449.1893795	404.153338	382.8766589	342.4834252
12.04_513.3217m/z	513.3216746	12.03886667	neg	Ganoderic acid DM	HMDB0032837	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	*		36.3	0	M+FA-H	C30H44O4	-1.042299014	360.9190298	492.6307365	356.1753616	465.9056742	782.7078543	245.1932484	706.5651081	1004.968036	1201.602252	1209.377012	1276.34719	461.2693716	0.000297236	827.0055434	609.3886873	380.9744256	302.7217645	344.6146727	0.000297236
12.25_499.0181m/z	499.0181271	12.24875	neg	"4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diol"	LMFA12000362	Lipids and lipid-like molecules	Fatty Acyls	Oxygenated hydrocarbons			36.3	0	2M-H	C12H10O2S2	1.920699453	9874.959467	10402.38182	9424.613875	9624.269315	9599.268684	8631.805354	9332.818034	9209.314019	8569.581692	9334.691996	10085.15705	9783.314921	11313.74451	9398.137628	10638.33255	10030.50233	9039.981245	10014.51015	9243.269711
12.54_339.2089m/z	339.2089228	12.54275	neg	"14,19-Dihydroaspidospermatine"	86912	Alkaloids and derivatives	Strychnos alkaloids	Unclassified			36.3	0	M-H	C21H28N2O2	3.295153792	1117.989985	865.043582	995.668005	1475.815086	1177.43458	1764.356386	1923.684192	2101.834521	2338.614092	895.7363649	1095.075531	2789.692083	1553.027527	2411.660337	1310.192316	1302.949438	1538.279221	1940.554498	800.0128575
12.63_397.2260m/z	397.2260331	12.62753333	neg	Forasartan	85498	Organoheterocyclic compounds	Pyridines and derivatives	Phenylpyridines			36.3	0	M-H2O-H	C23H28N8	0.43541545	22872.91701	22414.61559	21441.31043	11421.70726	12173.70478	9849.082099	12756.95784	12690.59929	14970.12762	9093.929596	13240.17418	14573.88196	9546.915734	22822.32133	9778.092806	8745.694503	11669.09402	19518.43853	13109.47071
12.70_876.6811m/z	876.6811026	12.70366667	pos	PC(24:1(15Z)/P-18:1(11Z))	60265	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		36.3	0	M+Na	C50H96NO7P	-0.654975732	36243.01371	46516.38345	51297.56006	46541.99648	38424.67977	45268.98404	39713.89152	31728.33856	31563.57785	43755.16833	30428.43518	53145.72146	65958.22655	51958.79845	56285.58572	46138.48808	47734.75993	54814.48874	53956.42143
12.77_415.0015m/z	415.0015394	12.77473333	neg	(Z)-[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide	HMDB0032653	Organosulfur compounds	Sulfoxides	Unclassified			36.3	0	2M-H	C7H12OS3	-2.981077524	3845.751172	2797.401639	3185.194232	3710.129103	3245.28821	3871.137703	3546.084313	3935.211028	4350.554001	3740.300557	4085.10528	3177.121364	3759.438658	3663.297033	3504.209049	4517.618192	3343.991021	3180.878397	3219.54195
13.03_429.2966m/z	429.2965528	13.02666667	pos	"MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0)"	HMDB0011554	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	*		36.3	0	M+Na	C25H42O4	-2.406408632	26001.60007	28627.66376	27886.48946	24498.98263	26884.1309	25242.92938	24913.17833	23728.48485	27837.62399	22047.48595	25008.04748	29857.46831	32398.87873	34174.65251	30188.80007	32394.43097	27923.32584	29626.04817	27625.65801
13.35_136.1118m/z	136.1118434	13.34966667	pos	"(S)-(-)-N,alpha-Dimethylbenzylamine"	103465	Unclassified	Unclassified	Unclassified			36.3	0	M+H	C9H13N	-1.720530132	4871.587719	3630.062671	4534.375575	4665.745769	4093.837779	4012.032362	4883.905071	5742.787428	4628.260689	5187.456642	5064.573724	4005.968897	4398.812942	4769.944103	4675.668225	5253.84335	4569.434997	4771.234684	4131.565166
14.30_310.0249n	291.0070928	14.3008	neg	"O-Ethyl S,S-diphenyl phosphorodithioate"	HMDB0031781	Benzenoids	Benzene and substituted derivatives	Unclassified		C14436	36.3	3.64	"M-H2O-H, M+FA-H"	C14H15O2PS2	-0.562608882	709382.6263	719422.2638	718798.8835	733371.1611	717639.0815	715528.3384	751864.7855	754811.8082	745672.5485	744012.1164	776784.5823	680433.7735	659603.5342	676532.2028	714743.2933	753932.9282	703557.792	738823.5722	680209.8571
15.70_113.1074m/z	113.1074189	15.69795	pos	N-Acetylputrescine	HMDB0002064	Organic acids and derivatives	Carboximidic acids and derivatives	Carboximidic acids	**	C02714	36.3	0	M+H-H2O	C6H14N2O	0.722848059	13233.70097	14537.80092	14302.9183	15013.33936	11131.43251	11483.58936	12990.00596	10605.93723	11724.31437	12372.48412	13094.36557	13382.49847	12471.42375	12908.11785	13881.67482	16801.46257	13063.48116	13943.44599	12319.08136
2.31_197.0371m/z	197.0371333	2.3126	pos	Sulfacetamide	2527	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides			36.3	0	M+H-H2O	C8H10N2O3S	-3.698745213	620.9254158	672.8677954	959.836567	261.3565467	1177.279599	451.2373904	372.6788162	2080.740431	1588.268177	406.5902468	334.4101045	572.845353	644.0046247	768.3424488	615.6955249	646.8290493	515.4676505	470.841298	558.1448115
2.74_150.0493m/z	150.0492507	2.743033333	pos	Zapotidine	HMDB0030383	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives			36.3	0	M+H-H2O	C7H9N3S	4.912611405	1309.863346	1557.225694	1362.5993	1303.273944	1035.586844	1226.443605	1105.191508	1148.616257	1240.418035	1474.102408	1351.22932	1539.07807	1640.078655	1328.105707	1098.879712	1194.571032	802.9484159	1263.655947	1273.127739
3.53_555.1002m/z	555.1001574	3.534466667	neg	"3,4,5-trihydroxy-6-{[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid"	HMDB0128791	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			36.3	0	M+FA-H	C22H22O14	1.958725943	6729.145544	7250.858485	6519.442852	6965.045477	5983.541785	7471.503793	7096.214687	6277.940649	5945.939265	7861.351228	7943.836164	7286.647608	6300.917913	7044.559924	6647.001932	7355.845307	8976.548284	8607.961519	7643.594575
3.64_349.0991m/z	349.0990804	3.640283333	neg	DIAZINON	44239	Organic acids and derivatives	Organic thiophosphoric acids and derivatives	Thiophosphoric acid esters		C14324	36.3	0	M+FA-H	C12H21N2O3PS	-0.56785343	1653.494715	1836.317045	1885.867713	664.591066	1218.210973	1928.985276	1336.870462	1217.127827	1723.320473	1886.904277	1313.56719	1329.633565	1515.584502	1151.022962	1918.392324	1559.500367	1706.406483	1532.022614	1292.49799
3.80_280.1875m/z	280.1875419	3.80485	pos	N-Lauroylglycine	HMDB0013272	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.3	0	M+Na	C14H27NO3	-3.003563692	4790.591913	4892.789328	4381.196667	4822.327282	3095.677863	4541.981582	5009.734652	2074.621563	1485.909237	4151.874259	6297.155294	2107.963688	4672.94019	4719.969893	3568.322345	3739.168187	4630.278887	4265.819643	8179.048042
3.89_936.3877m/z	936.387745	3.892883333	neg	Leucokinin I	71114	Unclassified	Unclassified	Unclassified			36.3	0	M+FA-H	C41H53N11O12	2.272831896	1163.121812	841.863792	733.1320801	558.7894894	643.7425168	579.1490217	481.2552868	824.8972116	355.3572344	247.178403	1054.766045	335.1163394	321.835819	867.5937026	738.9405455	1407.645995	869.8537423	1188.425468	1292.816096
3.96_295.1195m/z	295.1194619	3.9553	neg	Helinorbisabone	HMDB0032116	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		36.3	0	M+FA-H	C14H18O4	2.998598293	286.1289174	335.0813682	211.3648453	346.2132758	378.9140398	325.8457543	304.7593333	343.6804049	318.5340916	342.7649877	286.6685912	398.8275018	286.4693733	236.959976	281.6631061	291.2430716	284.9698977	383.5743581	355.2416914
5.46_217.1946m/z	217.1945985	5.458316667	pos	Cyperotundone	HMDB0036578	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*	C17501	36.3	0	M+H	C16H24	-2.214228548	470.4444069	270.9013296	381.5351067	437.2850549	389.4061508	466.8443963	346.2644109	463.0446969	481.7372362	443.2833503	420.1450589	602.1309502	518.5716137	449.9021989	393.3069985	472.1855816	372.9630039	372.0882385	417.2303586
5.81_334.0883m/z	334.0883409	5.813733333	neg	"Cyclopenta[c]pyrrole, benzoic acid deriv"	3116	Unclassified	Unclassified	Unclassified			36.3	0	M-H2O-H	C15H19N3O5S	4.645298159	2381.603854	2626.201417	2723.22384	2996.467566	2475.53383	5150.708073	4427.112085	484.094003	2525.348992	4420.505975	4148.584115	2649.91329	2818.688194	3383.850557	2573.639231	1717.320397	2830.796796	1736.39191	2952.400047
5.84_251.1627m/z	251.1626974	5.839466667	pos	Menthyl lactate	HMDB0037212	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		36.3	0	M+Na	C13H24O3	4.085247441	4606.704533	4895.781391	4850.383286	5850.652575	4867.43821	4913.858581	5338.140765	5061.003056	5787.34056	5431.157231	5258.912259	5949.427344	5236.382469	5130.946143	5737.908373	5218.861858	5030.675741	5459.858653	4986.060837
5.90_295.0773m/z	295.0772871	5.899433333	neg	NS-398	63036	Unclassified	Unclassified	Unclassified			36.3	0	M-H2O-H	C13H18N2O5S	4.729497599	825.8254252	758.4990188	778.7611652	900.0553381	762.1040952	572.5704222	487.855921	1292.888874	1660.246867	346.4137526	875.164834	1205.795166	543.2886654	595.451135	707.0052286	881.5992996	513.2688018	410.5360972	791.914724
9.64_255.2315m/z	255.2314659	9.6446	pos	5-Hydroxyhexadecanoic acid	HMDB0112184	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		36.3	0	M+H-H2O	C16H32O3	-1.43528234	3671.958241	3278.426037	3405.805587	3613.021275	3467.277656	3406.846154	3552.970524	3659.538774	3732.369054	3653.444603	3431.590904	3516.762436	3299.146699	3637.915214	3428.471334	3495.857409	3332.894804	3517.810247	3377.561198
9.77_416.2098n	439.1989657	9.77185	pos	JP83	45144	Unclassified	Unclassified	Unclassified			36.3	0	"M+NH4, M+Na, M+H"	C26H28N2O3	-0.563252106	36015.79681	39540.56469	37987.39232	26494.3877	36107.20142	28627.5172	27782.91643	52756.94779	26848.02056	25627.68828	29997.5242	32808.82224	35167.05095	31565.09904	24997.05998	30400.08578	27800.24734	29650.30597	27836.90039
9.85_311.1322m/z	311.1322042	9.854016667	neg	Olanzapine	58286	Organoheterocyclic compounds	Benzodiazepines	Unclassified		C07322	36.3	0	M-H	C17H20N4S	-4.443444	1455.36232	1390.762427	1459.640446	1691.701759	2011.786088	1537.683128	1885.208937	1111.995445	1644.073105	1153.593285	1477.832212	1287.432954	1433.032448	1338.228119	1446.926029	1051.563225	1398.667068	1646.176796	1253.602506
0.61_332.2795m/z	332.2794825	0.60835	pos	"9,13-dihydroxy-11-octadecenoic acid"	35503	Unclassified	Unclassified	Unclassified			36.2	0	M+NH4	C18H34O4	-0.167471351	2296.893174	2383.58363	2762.688692	4010.465203	3476.300059	2006.838457	2784.534097	1139.313166	2683.114765	3436.06324	4917.56703	1127.89144	3062.447464	2272.726451	740.2167935	1348.986872	2404.312036	1388.171194	1872.969039
0.62_435.1452m/z	435.1451554	0.623133333	neg	Mesuagin	LMPK12100030	Phenylpropanoids and polyketides	Neoflavonoids	Prenylated neoflavonoids			36.2	0	M+FA-H	C24H22O5	0.58622904	2618.20962	2196.126132	2901.784653	3065.156597	1942.942916	1815.958936	1216.416502	1822.355718	1238.497531	2753.311273	3903.305825	3291.105244	3917.896225	2637.250951	2451.932551	2564.253707	3387.031741	3730.99196	4086.179121
0.62_701.2090m/z	701.2090415	0.623133333	neg	Ramontoside	93541	"Lignans, neolignans and related compounds"	Lignan glycosides	Unclassified			36.2	0	M-H	C34H38O16	0.473993524	1091.424693	777.1910441	1123.064463	636.9254666	0.000297236	0.000297236	0.000297236	977.9729322	560.2139974	397.0944737	0.000297236	466.2661014	2007.478502	1360.764701	0.000297236	1369.56809	731.4148593	1403.747404	2337.003205
0.64_223.0522m/z	223.0522357	0.641183333	neg	2-Amino-5-nitrobenzophenone	1570	Unclassified	Unclassified	Unclassified			36.2	0	M-H2O-H	C13H10N2O3	3.861055475	9999.701126	9912.379894	9255.212402	11131.56417	10422.03899	10196.01232	9455.471064	9004.205847	8834.164618	10277.33294	10451.21614	9949.940306	11851.68587	11096.22649	9946.307776	11051.22822	11507.6828	10912.42607	13095.44541
0.73_274.0512m/z	274.0512186	0.7299	neg	Lamivudine	HMDB0014847	"Nucleosides, nucleotides, and analogues"	Nucleoside and nucleotide analogues	3'-thia pyrimidine nucleosides	**	C07065	36.2	0	M+FA-H	C8H11N3O3S	3.944342493	15883.24003	16848.42345	15096.78939	18286.21899	11108.238	11525.73724	15506.49005	9456.173237	11951.57468	8784.470774	14245.90831	22949.66684	15960.86066	15733.75411	13939.89381	12982.92792	14660.77866	15329.57725	17878.4801
0.78_379.0314m/z	379.0314082	0.781716667	neg	Urate D-ribonucleotide	65954	Unclassified	Unclassified	Unclassified			36.2	0	M-H	C10H13N4O10P	4.618891337	3817.758924	4046.704324	4457.599823	5866.622609	4649.170231	4117.323544	4199.03048	6039.617031	4541.337682	3469.434185	6039.063354	5963.426575	3411.469455	3090.094639	4170.768748	4348.233525	3902.595091	4788.818438	6713.126774
0.82_280.0110m/z	280.0110349	0.819	neg	Menazon	72757	Unclassified	Unclassified	Unclassified			36.2	0	M-H	C6H12N5O2PS2	4.654714455	5678.255519	6236.247068	5046.510001	5581.251405	5860.667859	6661.074636	5461.150068	7267.377008	8831.49013	6509.176632	5651.525117	6546.402851	3494.515074	3893.987433	4904.737116	3890.432504	4242.976296	3803.456309	5339.530619
0.90_354.0433m/z	354.0432981	0.898616667	neg	Sulfoxotolrestat	2882	Unclassified	Unclassified	Unclassified			36.2	0	M-H2O-H	C16H14F3NO4S	4.223416412	1026.710908	1272.608529	1216.339826	1334.298494	1356.882415	1813.371229	903.5843917	1568.65882	1160.902682	1548.253948	800.3466845	1757.149426	1255.134626	1418.434752	1097.059609	759.3235869	1136.999441	1333.035311	1223.1489
1.04_217.0518m/z	217.0517979	1.043083333	neg	FRAXIDIN METHYL ETHER	43772	Unclassified	Unclassified	Unclassified			36.2	0	M-H2O-H	C12H12O5	4.93732862	864.6632691	741.9620566	1177.567137	156.2301183	813.3028912	546.0588459	1263.381166	3621.225453	2597.864274	47.87288171	142.7473259	1511.225863	2118.719686	84.12181902	640.5149738	863.2703226	69.84141957	929.9712502	281.4380232
1.12_353.1341m/z	353.134087	1.118383333	pos	Cotinine glucuronide	HMDB0001013	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine ribonucleotides	**	C00190	36.2	0	M+H	C16H20N2O7	-0.682732232	1878.58839	1791.176056	1492.104072	3964.855722	586.7135002	3165.937598	11.44072647	1922.859433	945.9218861	401.5205579	1562.595613	1080.460158	1506.516592	581.2844519	1974.321361	2408.958902	1660.63971	5624.415225	3414.38562
1.14_217.0031m/z	217.0030848	1.13905	pos	Riluzole	2321	Organoheterocyclic compounds	Benzothiazoles	Unclassified		C07937	36.2	0	M+H-H2O	C8H5F3N2OS	-4.680878233	1289.055578	1539.374815	1027.743031	1357.092271	1284.708737	1151.503309	868.2749991	1208.97638	1361.616654	1236.559054	1054.853348	1859.34897	1841.344919	1619.379144	1390.166258	1219.545533	1069.339452	1349.200503	1488.415326
1.36_375.1143m/z	375.1142772	1.355533333	pos	"Dibenzo[h,rst]pentaphene"	73095	Unclassified	Unclassified	Unclassified			36.2	0	M+Na	C28H16	-0.409055057	8076.397624	9985.18432	9148.284415	6012.849724	13840.26801	12414.8292	4511.50297	14059.4164	19951.43741	13218.14054	5523.62676	11312.3653	3844.982739	5129.901839	7910.286066	7319.860677	7917.860884	7107.547476	9753.861006
1.48_147.0765m/z	147.0764561	1.4757	pos	Isoglutamine	2819	Unclassified	Unclassified	Unclassified			36.2	0	M+H	C5H10N2O3	0.256609427	769.362543	1068.583359	1227.443942	854.6880912	1072.701256	1232.988618	972.3831482	626.2680175	356.5420554	815.1933805	460.6039456	1270.142604	1024.36157	1180.454489	1180.803709	1091.139445	1037.886864	1082.715521	1378.164639
1.65_320.0919m/z	320.0918664	1.6536	neg	S-Methyl GSH	69008	Unclassified	Unclassified	Unclassified			36.2	0	M-H	C11H19N3O6S	-0.976409419	429.220316	499.3715025	449.8017464	496.2809495	365.8790464	1280.4037	536.9006234	157.0366334	60.08757882	952.7335037	345.2865387	301.4974768	344.6293848	271.2097155	382.3534695	324.6111993	477.6804659	437.2086332	379.7606669
10.02_624.3129m/z	624.3129489	10.02045	neg	OS-PE	LMGP20020035	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			36.2	0	M+FA-H	C27H50NO10P	-4.293714521	1475.657374	1065.801058	1165.453563	1137.815936	1304.335007	1440.548847	1720.585428	1547.846415	1909.959293	1762.781823	1420.155517	1559.184945	1683.856969	1602.582164	1716.271713	1174.158562	1902.224145	1102.809419	1755.48559
10.08_570.2505m/z	570.2504576	10.08475	neg	Quinagolide glucuronide	2212	Unclassified	Unclassified	Unclassified			36.2	0	M-H	C26H41N3O9S	2.421213279	879.6516241	958.4989546	705.9718857	976.4125521	935.3914752	633.2469994	675.175096	1205.840899	470.3328299	736.7931361	936.0032276	1194.858063	1220.569271	1653.42412	659.4161571	497.3363174	724.4768711	1097.760014	671.9062976
10.25_1023.5449m/z	1023.544928	10.25406667	neg	Ganoderenic acid D	91237	Lipids and lipid-like molecules	Prenol lipids	Triterpenoids	*		36.2	0	2M-H	C30H40O7	-2.539955351	11704.50395	10740.28312	10508.79779	16040.39064	12988.81714	16643.89301	18234.67812	4451.831515	7140.405596	10077.39852	11548.94233	7437.165029	14389.45739	14977.92566	16049.87259	14912.09579	18008.2549	14308.33463	14703.63506
10.28_583.0385m/z	583.0385272	10.2751	neg	"5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene"	66245	Unclassified	Unclassified	Unclassified			36.2	0	2M-H	C14H12O3S2	0.395797948	124480.136	119888.6697	123654.7981	123914.992	124758.6659	123381.2892	122820.6045	125870.1384	119877.7617	125554.2255	127826.4463	115280.8047	126666.3487	128527.1961	127223.7997	128983.5885	128931.368	129066.7527	121324.2313
10.51_451.0185m/z	451.0185214	10.50996667	neg	2-hydroxy-3-({3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoyl}oxy)butanedioic acid	HMDB0127951	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			36.2	0	M+FA-H	C14H14O12S	-0.68562001	16710.67771	16658.8783	16328.04956	16908.74162	16378.03209	16770.90038	17509.22284	17165.22004	17904.20176	17268.50199	18189.88556	16171.63716	16647.61518	16809.13139	15988.70483	16803.86927	16934.30843	18654.53171	15145.57892
10.81_561.0924m/z	561.0924133	10.80621667	neg	"({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxan-2-yl}methoxy)sulfonic acid"	HMDB0126699	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			36.2	0	M+FA-H	C21H24O13S	0.869278625	3397.896864	1822.399161	2781.064754	2113.295613	2892.418836	3104.914514	3214.4209	2468.958606	3383.024664	2050.027592	2588.926813	3587.550547	2635.72763	2870.860619	2728.711438	3563.736127	3075.882537	2954.236291	2721.803192
10.93_529.3601m/z	529.360066	10.93288333	neg	UH-301	69163	Unclassified	Unclassified	Unclassified			36.2	0	2M-H	C16H24FNO	-1.966194462	2517.201817	1584.822966	1949.540834	2203.484204	2144.715392	2946.61623	2495.978805	1408.825226	1949.425345	1820.984576	2360.642243	1648.090786	2822.029167	2366.494003	1964.978487	1894.775357	1843.615725	2109.877908	2801.64914
11.58_310.1612m/z	310.1612262	11.58355	pos	Histidinyl-Histidine	85793	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.2	0	M+NH4	C12H16N6O3	-3.381123734	18202.6771	14195.63391	20634.29941	21777.13985	19447.08295	21590.72172	22147.11203	16819.32635	17290.78444	17368.10791	19769.20589	15978.17172	17499.4993	21164.0005	21452.45679	21760.75654	24422.06407	20802.34544	21613.16105
11.67_889.5286m/z	889.5285744	11.66696667	pos	"1,2,3-(8R,9R-epoxy-17E-octadecen-4,6-diynoyl)-sn-glycerol"	LMGL03016882	Lipids and lipid-like molecules	Glycerolipids	Triradylglycerols			36.2	0	M+H	C56H72O9	4.123865687	28034.04525	41344.53604	25434.20085	23582.76246	23149.17587	22722.60931	25043.33545	30727.78023	28544.49801	29460.8241	27330.08995	46924.35018	7814.15586	16971.54419	15045.11868	16818.41605	17875.22978	25211.14931	13935.84298
12.54_697.4421m/z	697.4421081	12.54275	neg	"PA(P-16:0/18:4(6Z,9Z,12Z,15Z))"	LMGP10030015	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates			36.2	0	M+FA-H	C37H65O7P	-4.423150913	1655.557937	1933.248171	2464.800457	1654.836321	2276.351705	3074.895477	3132.628939	3671.763351	2897.337574	2235.64322	1949.018488	5245.096794	2697.094889	4554.339556	3855.607558	2956.531065	2224.96114	3416.189678	2009.486955
12.97_800.5198m/z	800.5198148	12.96666667	pos	PS(O-16:0/19:1(9Z))	LMGP03020011	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			36.2	0	M+K	C41H80NO9P	-0.542376271	14602.40564	13709.20118	8413.028503	18745.07457	20802.19477	24193.08653	28159.42107	31974.81908	15027.63505	5383.688202	26843.69306	14227.95139	2546.470182	0.000297236	204.4292045	1961.791767	1612.743337	5458.975758	16588.14124
14.97_248.9962m/z	248.9961501	14.96568333	neg	5-Hydroxyriluzole	2324	Unclassified	Unclassified	Unclassified			36.2	0	M-H	C8H5F3N2O2S	4.173984756	1684.779297	1373.955805	1592.803717	1712.351808	1937.230615	909.0050962	1283.476789	1276.90628	1802.467856	1173.250456	1575.003642	1558.888317	1480.345676	1304.715006	1565.257619	1750.049638	1770.105996	2268.639103	1950.28526
15.70_211.1317m/z	211.131742	15.69795	pos	"9,12-dioxo-dodecanoic acid"	74730	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			36.2	0	M+H-H2O	C12H20O4	-4.948334766	3407.491556	3013.238822	2800.144553	2688.426353	2864.917151	3115.987524	3234.190962	2856.086205	2767.046837	3349.530328	2930.266167	3366.296306	3012.463446	3372.442393	3521.348425	3527.720076	3032.626796	3319.349272	2888.791382
15.76_241.2520m/z	241.2520103	15.75651667	pos	2-methylpentadecanal	46413	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes			36.2	0	M+H	C16H32O	-2.421587395	1965.715089	1699.786547	2164.614177	2269.819067	2020.94363	2234.164496	2484.368382	2023.660075	2765.790314	2269.626369	2123.694108	1431.929042	2367.105343	1911.193807	2224.962147	2123.89065	2614.233829	2692.95199	1901.251996
2.05_583.1173m/z	583.1173129	2.054766667	neg	N-Acetylsulfadiazine	2436	Unclassified	Unclassified	Unclassified			36.2	0	2M-H	C12H12N4O3S	-2.453649569	1524.134019	1995.762546	2371.610337	2671.118523	1832.219963	2605.510231	1611.572551	2071.38375	1111.611495	1522.643972	2222.093049	1128.920779	2876.748545	3031.975156	2190.272809	1884.395507	2597.869468	1806.162144	3125.731288
2.25_324.1218m/z	324.1217898	2.24635	neg	Diaminomethylpteroic acid (DAMPA)	740	Unclassified	Unclassified	Unclassified			36.2	0	M-H	C15H15N7O2	1.056313313	170.1614314	253.5203422	147.3533268	73.33296667	291.0040855	428.688153	0.000297236	833.6389243	603.2922124	211.8374542	42.3704882	55.66920211	52.94936501	51.90763543	96.23886182	0.000297236	0.000297236	60.85786864	163.1689778
2.29_366.2044m/z	366.2044077	2.292833333	pos	PC(O-6:0/2:0)[U]	40153	Unclassified	Unclassified	Unclassified			36.2	0	M+H-H2O	C16H34NO7P	1.061794816	3135.014769	3755.391388	3203.023347	4613.786886	3347.97346	1430.552868	4379.243235	3683.522958	2064.6752	2677.816994	4031.750919	3742.295812	4480.606421	3303.434834	2213.212899	2511.626074	2268.030926	2643.312567	3294.965549
2.41_147.1166m/z	147.1165608	2.412083333	pos	Santalone	91828	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*		36.2	0	M+H-H2O	C11H16O	-1.621473789	4390.196464	4044.241785	4197.61534	3890.370342	4505.622236	4033.010964	4224.685103	3802.785585	3702.35872	4467.172207	4160.088099	4047.174945	3838.626155	4356.9979	4453.331746	4392.81074	3781.946521	4186.559313	4264.711783
2.75_403.0059m/z	403.005893	2.754933333	neg	Aluminoparaaminosalicylate calcium	69536	Unclassified	Unclassified	Unclassified			36.2	0	M-H	C14H13AlCaN2O8	4.577786579	1341.078135	994.1442102	1246.368457	1447.876466	1181.385718	1737.681437	1798.886525	743.8843946	805.4571581	1248.796733	1550.28295	1123.55213	2216.823398	1348.900325	1175.521171	1383.133957	1320.249345	1741.667052	1116.179743
3.46_254.0373n	235.0194367	3.455066667	neg	N-acetyl zonisamide	HMDB0060603	Organoheterocyclic compounds	Benzisoxazoles	Unclassified			36.2	0	"M-H2O-H, M-H"	C10H10N2O4S	4.526978233	1527.014771	1588.027487	1707.627036	1166.924744	2202.226166	1762.228604	1378.916557	4717.232066	3203.332435	1972.096472	1265.705694	1343.529932	1498.905395	1322.672211	1288.04367	961.1095905	1144.79112	1241.132856	1387.971896
3.53_1017.2725m/z	1017.272503	3.534466667	neg	"N6,N6,O-Tridemethylpuromycin-5'-phosphate"	64573	Unclassified	Unclassified	Unclassified			36.2	0	2M-H	C19H24N7O8P	-4.924862696	2768.123068	3302.199199	3611.872193	2897.898884	3691.160794	2332.52625	4531.416983	2211.144631	1994.155681	3044.842053	3123.484854	3630.685326	3610.691211	4001.99112	3432.355161	4864.150766	3047.175884	5047.707807	5446.738328
3.54_300.0424m/z	300.0423549	3.538083333	pos	Flumequine	HMDB0041895	Organoheterocyclic compounds	Quinolines and derivatives	Quinoline carboxylic acids			36.2	0	M+K	C14H12FNO3	-3.54148623	2546.222321	2928.93767	2671.615936	3230.069514	2661.7207	3481.445966	2815.262434	2382.489686	1774.099167	2546.896238	1978.962381	2952.245242	2985.532896	2763.066358	2040.353016	3096.341759	3073.087372	2754.346279	2727.130763
3.64_421.0515m/z	421.0515135	3.640283333	neg	CAY10565	45277	Unclassified	Unclassified	Unclassified			36.2	0	2M-H	C9H9NO3S	-4.355652505	29492.0044	28859.76283	31668.59095	30250.91093	36917.91842	28783.2113	26882.56638	27860.62602	24082.98234	34409.93366	30595.64931	22652.99013	32232.07589	29948.7603	37749.4917	34732.68719	33612.09242	27510.09984	28466.3923
3.76_339.0701m/z	339.0701404	3.764833333	neg	"{[(6E)-3-oxo-1,7-diphenylhepta-4,6-dien-1-yl]oxy}sulfonic acid"	HMDB0133921	Phenylpropanoids and polyketides	Diarylheptanoids	Linear diarylheptanoids			36.2	0	M-H2O-H	C19H18O5S	1.359679014	731.8872602	688.5997985	895.3730461	751.1975966	1095.838297	861.7407039	721.1144853	715.9464944	844.8576287	868.6337144	583.3600643	1019.820295	878.6199479	749.689603	927.4968045	780.8048911	840.655541	657.4216993	772.0741189
3.76_396.0465m/z	396.0465278	3.764833333	neg	Cephaloridine	44138	Unclassified	Unclassified	Unclassified			36.2	0	M-H2O-H	C19H17N3O4S2	-4.045411264	1779.754887	1663.868754	1850.809806	2177.05248	1607.547184	5521.729684	712.4602813	2557.144233	3370.198982	2278.108995	1511.50895	1772.646521	1547.573989	861.6132114	974.2659828	1346.798684	891.4270224	947.0533964	538.5336662
3.93_610.3153m/z	610.3152553	3.930916667	pos	Dabigatran etexilate	85565	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			36.2	0	M+H-H2O	C34H41N7O5	2.592079322	1231.517701	1726.357652	1340.499803	2562.883108	1695.048288	1240.104978	3066.286198	1497.34162	3719.653995	4383.114473	2111.206325	3570.611125	1496.232989	3135.846712	611.4737264	3003.498572	3529.960749	4174.051268	3999.868203
4.18_485.0257m/z	485.0257394	4.1837	pos	Deoxycytidine triphosphate (dCTP)	3574	Unclassified	Unclassified	Unclassified			36.2	0	M+NH4	C9H16N3O13P3	4.960185569	689.1066523	719.5080348	538.8839111	639.6315302	642.3254533	398.57654	1266.800135	894.1825667	880.0165604	1609.948486	1163.409828	0.000297236	205.7485736	261.3687397	524.0109945	922.444154	927.9507497	1011.202374	251.4947187
4.27_423.1423m/z	423.1423111	4.267633333	neg	6-Hydroxymelatonin glucuronide	HMDB0060786	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			36.2	0	M-H	C19H24N2O9	3.317662869	1325.953199	1510.135056	1303.078784	1616.956608	1245.407745	1921.882124	1543.62709	1249.679264	1321.01366	1398.406783	1457.623252	1358.005907	1458.545868	1261.044269	1556.50658	1963.736565	1571.099068	1850.178882	2042.22718
4.43_700.3661m/z	700.3660537	4.431116667	pos	OOB-PI	LMGP20050019	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			36.2	0	M+NH4	C31H55O14P	-1.047706135	2677.333828	2125.823387	2802.707675	2420.319432	3494.619351	1162.822174	5097.11767	608.2227373	604.4624959	3049.1427	2165.014149	2672.135021	3280.263677	4665.290404	1521.984258	3444.631453	1835.360567	1266.656789	2058.708733
4.48_224.9622m/z	224.9622123	4.47925	neg	oltipraz	96195	Organoheterocyclic compounds	Diazines	Pyrazines			36.2	0	M-H	C8H6N2S3	0.785632196	875.5988573	956.745445	845.3511887	876.4412133	866.7992576	950.9260145	804.160483	932.3336031	997.5604429	909.2507463	1236.041063	861.4038326	816.639741	765.2666579	888.3228753	914.3513356	860.563192	1006.000081	1044.56174
4.49_535.2356m/z	535.2356462	4.4914	pos	Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]	93391	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		36.2	0	M+Na	C22H40O13	-0.909453186	995.8283994	1042.705676	884.4765099	1695.637014	1120.025906	1084.321521	1411.620443	1316.471476	1073.664697	583.10999	951.4715926	1265.260324	1227.834041	235.466452	662.0250364	1098.409019	803.4366938	1852.074857	1607.22741
4.61_285.0873m/z	285.0872827	4.6053	neg	5-ethyl-2-nitro-9h-carbazole	96370	Unclassified	Unclassified	Unclassified			36.2	0	M+FA-H	C14H12N2O2	-3.322859113	302.5275563	297.8786789	271.2944823	966.2526616	0.419918737	20.40044961	430.1163196	0.390742834	65.87994044	0.012568843	669.1870249	578.1053816	0.000297236	0.000297236	392.5637708	595.5071341	746.3957464	677.487461	0.000297236
4.73_345.1551m/z	345.1550774	4.73175	neg	Nepetaside	92890	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		36.2	0	M-H	C16H26O8	-1.195809379	257.6569739	473.4579104	362.9421648	125.0856163	392.4304904	388.4372116	159.3079087	809.2733121	709.9254698	285.868953	139.2690589	53.5479537	168.4275398	109.7385568	231.1145444	50.61251213	165.3303513	56.5981415	179.6992488
4.91_257.0752m/z	257.075226	4.91215	neg	Benzo[ghi]perylene	69963	Unclassified	Unclassified	Unclassified			36.2	0	M-H2O-H	C22H12	-3.018221333	1617.858789	1530.620547	1451.261496	733.5577892	2410.884248	952.2491253	1153.700631	2124.548354	2039.355019	1060.826395	1378.843536	1183.824181	1582.767357	2085.077108	1832.608658	1352.987423	1662.891732	1276.066269	1824.71059
6.40_493.1514m/z	493.1513926	6.404283333	neg	Cycloartomunoxanthone	49939	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			36.2	0	M+FA-H	C26H24O7	2.20161619	1700.41767	1422.489355	1409.201576	1815.889583	604.3893998	2626.610956	1539.124496	1856.915677	709.6660154	1843.426634	2190.516707	645.0689403	680.5844674	1419.351024	1710.638361	1725.034742	2174.439302	1955.047457	691.3590077
7.43_527.0808m/z	527.0807603	7.432483333	neg	"3,4,5-trihydroxy-6-({17-hydroxy-11,18-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0?,?.0?,?.0??,??]icosa-1(12),2(9),4,10,14,16,18-heptaen-15-yl}oxy)oxane-2-carboxylic acid"	HMDB0128906	Phenylpropanoids and polyketides	Sterigmatocystins	Unclassified			36.2	0	M-H2O-H	C25H22O14	-4.310408401	1951.657104	1709.928351	2410.108616	1839.311642	1993.808853	2177.640777	2048.98492	1916.799647	1713.035607	1957.969727	2040.330464	2086.965169	1950.151302	2502.281399	2562.229872	2289.221853	1689.629361	2056.603676	1526.540042
7.75_634.2649m/z	634.264939	7.749183333	neg	Rifamycin W-hemiacetal	63723	Unclassified	Unclassified	Unclassified			36.2	0	M-H2O-H	C35H43NO11	-1.272198756	596.8637805	618.5836241	527.6679153	205.9537386	491.3994503	282.1443431	0.000297236	675.8945898	434.8156775	368.3078244	136.8951498	85.15631099	198.4885539	338.9160005	7556.141617	334.2025164	793.1834092	2025.374596	514.2722944
7.89_953.5373m/z	953.5373482	7.888333333	neg	"PI(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	LMGP06010013	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			36.2	0	M+FA-H	C49H81O13P	-2.568886365	28482.71119	23322.46171	26766.26208	26750.78544	30544.20975	28077.87103	28240.79168	23878.14759	25398.55432	24165.61385	24532.59356	23837.80571	25613.5543	28216.56458	23020.82613	28753.84519	27160.95515	25353.20201	24995.40526
9.31_253.2157m/z	253.215658	9.3109	pos	Palmitolinoleic acid	73950	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C08362	36.2	0	M+H	C16H28O2	-2.174968038	3559.929078	2944.860219	3477.222561	3355.814433	3412.373858	3453.305929	3277.122466	3486.004332	3560.090816	3530.719819	3326.744956	3228.313484	3394.216061	3287.10884	3499.504456	3419.565789	3435.085592	3195.331812	3421.257717
9.81_255.2314m/z	255.2313524	9.81395	pos	7-Hydroxyhexadecanoic acid	HMDB0112185	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		36.2	0	M+H-H2O	C16H32O3	-1.852141877	5047.285987	4365.377947	4505.223938	5458.078795	4917.673477	5344.436553	4903.267256	5008.314306	4965.382795	5186.725013	4941.8342	4713.357713	4271.962633	5077.549618	4654.703666	5697.80062	5532.542309	5098.451729	4751.85899
0.14_175.0387m/z	175.0387471	0.137916667	neg	CRESOPYRINE	43914	Unclassified	Unclassified	Unclassified	***		36.1	0	M-H2O-H	C10H10O4	-6.80508943	1064.596047	985.2616611	1181.433452	1198.280861	1247.525453	1014.703574	1060.679838	1071.706558	1059.686294	1049.257656	1141.678863	1047.333953	1154.960397	1101.670384	1049.385083	1085.379628	1054.982291	1146.481344	1139.852514
0.21_269.2836m/z	269.2835643	0.2131	pos	"iso-1,2-octadecanediol"	46026	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			36.1	0	M+H-H2O	C18H38O2	-1.145323136	5798.585404	6757.703501	6315.465512	6846.976706	6054.215758	6900.515001	6686.603391	7762.375441	5987.427526	7003.700051	6733.300358	6586.124215	5976.38823	5994.645195	7231.463661	6848.238791	5662.11085	7784.543453	6491.220189
0.50_251.1793m/z	251.1793368	0.49665	pos	Hexahomomethionine	64512	Unclassified	Unclassified	Unclassified			36.1	0	M+NH4	C11H23NO2S	2.407355055	2558.399772	2663.373644	2273.734232	2203.045923	2780.056979	4210.138031	3043.273319	2569.216981	3133.584521	2726.050266	3315.954471	2799.868282	2558.45923	2467.080325	2653.828553	3935.251182	3121.295657	2809.840427	2988.298611
0.62_322.0105m/z	322.0105156	0.623133333	neg	Riluzolamide	2332	Unclassified	Unclassified	Unclassified			36.1	0	M+FA-H	C9H6F3N3O2S	-3.499348235	1348.930531	1390.89273	802.5622406	991.7108511	859.3025357	1455.255346	1585.52376	557.6156199	1035.207672	631.166333	684.8052712	1326.026303	664.9495295	851.1619726	1269.635948	1510.204083	802.9614434	2037.537363	1003.692684
0.62_365.0550m/z	365.055046	0.623133333	neg	4-hydroxy-5-[3-methoxy-4-(sulfooxy)phenyl]pentanoic acid	HMDB0127778	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		36.1	0	M+FA-H	C12H16O8S	0.795554828	756.9602442	951.6261293	1256.289124	1163.994151	238.8719604	951.6514911	500.1708014	0.000297236	464.0938779	463.7476275	1490.851652	351.2369855	1119.746976	1513.670237	913.6283548	1020.436704	1286.871228	1588.521561	629.9430388
0.63_379.0795m/z	379.0795045	0.62635	pos	"6-(2-benzyl-3-oxopropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0133636	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		36.1	0	M+K	C16H20O8	1.55481882	6114.777752	5863.739449	5248.94223	7512.671633	5535.434446	4272.01477	6594.670847	4486.601793	5020.648681	4767.602518	6394.577759	9055.540128	7229.076701	6938.643819	5602.345218	5678.891939	5983.118162	7719.083751	3686.874006
0.64_444.0556m/z	444.0555585	0.641183333	neg	Adenylosuccinate	3551	Benzenoids	Benzene and substituted derivatives	Biphenyls and derivatives	**	C03794	36.1	0	M-H2O-H	C14H18N5O11P	-1.389499278	5712.26054	5156.542012	5621.145424	6372.789714	5889.732142	5713.942107	4569.893263	4942.922885	7493.874264	6897.688113	4834.279587	4969.049303	5911.975577	4535.018458	4361.854567	4951.949375	6238.439179	3625.966877	6758.125871
0.66_259.0638m/z	259.0638447	0.658766667	neg	Ethyl 3-[(2-furanylmethyl)thio]propanoate	94596	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			36.1	0	M+FA-H	C10H14O3S	-3.37989242	1321.585718	1528.019021	1175.754549	1497.507422	1006.183306	1246.679092	1036.540915	1608.094656	1508.147762	931.0384966	568.592581	1795.710131	1414.154605	1438.676375	1294.514877	1287.911542	976.424462	1249.784844	1753.731373
0.75_262.0615m/z	262.0615105	0.746966667	neg	CAY10550	45294	Unclassified	Unclassified	Unclassified			36.1	0	M-H2O-H	C15H11N3O3	-2.453304007	1626.122267	1533.915052	2224.66037	3267.174407	879.1179125	2894.853017	1819.506404	1387.687634	2199.83013	1047.215682	2522.128808	2081.820397	2668.855745	2603.164465	2014.648738	2149.973941	2086.119382	3766.358858	2253.554103
0.75_473.1440m/z	473.1439874	0.746966667	neg	SB 243213	69192	Unclassified	Unclassified	Unclassified			36.1	0	M+FA-H	C22H19F3N4O2	-0.52792342	1370.898999	1345.710508	1838.43457	0.000297236	1749.636409	1283.585874	2146.452764	0.000297236	0.000297236	6383.541715	0.000297236	1200.558554	0.000297236	4792.981754	578.8101017	0.000297236	1642.942664	0.000297236	3285.834896
0.80_435.0853m/z	435.0852715	0.801	neg	"8,16-dihydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-12-methyl-3,13-dioxapentacyclo[10.7.1.0?,??.0?,?.0??,??]icosa-2(10),4,6,8,14(19),15,17-heptaen-11-one"	HMDB0137763	Phenylpropanoids and polyketides	2-arylbenzofuran flavonoids	Unclassified			36.1	5.04	M-H2O-H	C27H18O7	-4.713167521	11957.68214	15915.97926	15961.81012	11461.53907	7699.287485	17575.2283	7068.738953	8960.227714	12469.73275	16005.95547	22517.30123	8779.186559	11440.56848	14094.71561	18196.18921	13582.02016	13176.20029	12052.77656	19653.49366
0.80_493.1107m/z	493.110716	0.801	neg	Temocaprilat	69022	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C11373	36.1	0	M+FA-H	C21H24N2O5S2	-0.336465888	6159.475982	7500.182976	6666.911011	5200.012083	4747.274337	8786.253095	3716.97068	5384.118023	9439.388864	10279.85375	9295.220908	3751.342805	4284.01268	5310.811013	5949.7662	6948.510853	3958.720626	4156.910734	10824.58132
0.94_231.0482m/z	231.0481698	0.937716667	neg	"(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein"	87387	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		36.1	0	M-H	C13H12O2S	-1.527159704	1020.157472	1141.306021	1134.200378	1059.434269	978.7525047	783.1029461	1260.196783	1228.927556	1183.043813	678.9820539	714.717139	1450.412712	1209.384973	926.3582733	658.8271896	649.2810213	744.5461625	629.5963622	963.2097202
0.95_275.0084m/z	275.0084278	0.94875	pos	Brassinin	89196	Organoheterocyclic compounds	Indoles and derivatives	Indoles			36.1	0	M+K	C11H12N2S2	4.572424887	97157.09684	94040.0754	104380.8743	79950.54071	93725.2206	108424.6423	112079.3197	79520.66186	73641.80628	112090.0069	83167.38918	92726.92401	96744.66025	97449.19875	106871.6379	90627.69562	116944.5558	96875.66235	129568.7024
0.96_204.0446m/z	204.0445651	0.958133333	neg	2-Aminoanthraquinone	70066	Unclassified	Unclassified	Unclassified			36.1	0	M-H2O-H	C14H9NO2	-4.134954389	41.01553498	57.39393981	54.74031745	89.26732473	81.02911342	213.1638513	0.000297236	64.11516886	0.000297236	85.29142201	63.40281803	51.56983266	74.78779024	202.6635329	40.79475776	125.5012481	0.000297236	52.26217621	0.000297236
1.03_333.0632m/z	333.0632156	1.026666667	pos	AG-490	45246	Unclassified	Unclassified	Unclassified			36.1	0	M+K	C17H14N2O3	-1.308269673	5984.508288	6146.641996	5767.966316	7261.433551	6944.776534	5840.274528	5558.022316	3516.292832	2255.706005	7287.334424	4801.896394	3663.543016	5830.20411	6154.274803	6606.666619	5705.206486	6960.007913	3996.521622	4781.283685
1.06_397.1004m/z	397.100438	1.063433333	neg	"6-({6-[(acetyloxy)methyl]-2,4,5-trihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0125230	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			36.1	0	M-H	C14H22O13	4.204097888	13961.55305	13923.19002	15453.52234	20047.0463	15019.3716	13822.37764	14017.58266	15452.1458	16396.97806	12511.90578	16568.0362	21200.34256	12672.47485	10998.40771	13920.15361	12119.50131	11661.14382	13567.02299	15309.50463
1.18_318.0236m/z	318.0236436	1.1797	neg	Amidithion	72722	Unclassified	Unclassified	Unclassified			36.1	0	M+FA-H	C7H16NO4PS2	-1.450140226	837.2501108	789.1451186	1116.487765	798.5143049	1123.431291	898.3621624	1138.339031	1139.20617	641.6702892	432.2746758	1015.274097	901.0424055	1013.634377	1249.79312	1064.40322	944.5386802	1027.585882	1093.110637	1378.478371
1.26_590.0797m/z	590.0796541	1.25845	pos	UDP-N-acetyl-D-galactosamine	3675	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine nucleotide sugars	**	C00203	36.1	0	M+H-H2O	C17H27N3O17P2	2.261026644	6478.363421	5829.655016	4164.546753	8988.853165	4639.836822	9497.988326	9733.384997	1507.262498	2474.679373	5576.717794	10589.84743	991.9682748	4798.413405	1943.941488	4120.116359	6875.716187	7091.237527	3608.04308	6508.782528
1.34_559.0598m/z	559.0597573	1.336933333	neg	"4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid"	HMDB0126661	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins			36.1	0	M+FA-H	C20H18O16	4.026612228	897.1391349	697.5111329	628.884613	0.000297236	1124.025237	0.000297236	0.000297236	5239.123949	4090.208341	0.000297236	344.6283598	1205.86375	202.8563901	1111.113063	695.4057897	925.9845696	395.3788305	0.000297236	908.4319196
1.40_222.0437m/z	222.0436728	1.3988	neg	Cycloalliin	HMDB0029417	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			36.1	0	M+FA-H	C6H11NO3S	-2.791878867	810.3744235	729.7384976	873.7696121	1097.877163	434.5815078	739.0267413	293.2390772	1014.118707	894.6283843	366.8334808	535.9128966	1420.114771	669.1534544	335.3973435	666.5251567	547.4089851	697.9238404	1122.90048	1293.109506
1.46_347.1072m/z	347.1071911	1.4621	neg	"Dibenzo[a,h]pyrene"	72945	Unclassified	Unclassified	Unclassified			36.1	0	M+FA-H	C24H14	-1.860924553	906.669456	1074.176434	1008.511994	1250.439768	858.2667132	1628.410242	957.3040006	1526.575656	1860.377724	1351.221882	819.2903749	767.5857897	850.1890266	666.5273694	815.6508261	1010.022656	737.1487414	906.6851251	678.4305804
1.53_396.0887m/z	396.0887345	1.526883333	neg	Cephalosporin C	43890	Organic nitrogen compounds	Organonitrogen compounds	Nitrogen mustard compounds	**	C00916	36.1	0	M-H2O-H	C16H21N3O8S	3.950698434	3697.138237	3915.36192	3957.367521	3832.925615	2494.151025	13493.54564	2191.546203	9965.548254	11842.82167	4299.834505	2390.043933	2714.435812	2185.450509	1822.154406	1184.271803	1967.803538	1317.357554	1625.58329	900.3379025
1.55_310.1388m/z	310.138819	1.554083333	pos	Glutaminyltyrosine	HMDB0028809	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36.1	0	M+H	C14H19N3O5	-3.002314061	1283.821023	1456.171923	1329.176407	1272.913515	1721.757176	2950.601804	1229.229268	1291.590541	2165.188627	1978.142333	853.760323	905.1761793	1419.509534	1111.424798	1086.357841	1254.295845	1263.575538	774.8841611	852.80205
1.67_344.1870m/z	344.1870132	1.670633333	pos	6-beta-Naltrexol	HMDB0060784	Benzenoids	Phenanthrenes and derivatives	Unclassified			36.1	5.98	M+H	C20H25NO4	4.01667933	1666.498882	2264.35207	2458.734083	1895.472315	1773.790289	2599.428877	2212.755143	892.4357172	1131.367508	2203.221861	2319.148074	1431.185832	2254.67461	2243.497559	2387.788342	2588.309219	2684.961049	2726.903863	2860.350632
1.86_281.0259m/z	281.0258771	1.8645	pos	1-Pyrenylsulfate	72113	Unclassified	Unclassified	Unclassified			36.1	0	M+H-H2O	C16H10O4S	-2.732695063	1686.1787	1907.599102	2056.326683	394.435042	734.8140821	1003.940222	608.8337316	6256.445442	8782.601341	624.3714037	542.0465032	3763.048846	961.4742961	544.3731266	784.2398956	577.2032529	701.9542737	685.9518787	1148.129852
10.19_547.0029m/z	547.0028951	10.19105	neg	"6-{[1-carboxy-8-hydroxy-3,5-dioxo-9-(sulfooxy)-1H,2H,3H,5H-cyclopenta[c]isochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0133722	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			36.1	0	M-H	C19H16O17S	-1.183359678	3452.432219	2740.723541	2477.443169	2122.942174	2136.779273	2464.686334	2276.391779	2237.643709	2284.38653	2215.881157	2585.833874	2120.077096	2455.952301	1814.914091	2365.699159	2408.46276	2083.72367	2486.970912	2283.887862
10.26_292.1107m/z	292.1107299	10.25731667	pos	Nefopam	1482	Unclassified	Unclassified	Unclassified			36.1	0	M+K	C17H19NO	3.585188786	6688.81117	6239.10619	7226.760752	8708.384211	8952.083811	8191.111413	6748.29403	2355.271821	2927.642283	7594.879016	7233.73495	4775.206078	9779.192257	8456.466306	9521.437935	8687.785533	8179.284825	8803.203423	9869.211885
10.30_629.3206m/z	629.3206335	10.29658333	neg	Cholic acid glucuronide	57962	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	*		36.1	0	M+FA-H	C30H48O11	4.737617257	4395.87459	3115.549743	3516.385147	4761.031419	4103.839464	5125.824011	5115.577502	2749.32162	2920.242056	3846.577877	3429.64883	3082.888168	5169.800242	4709.174928	4795.379796	4278.11545	4361.70762	4826.327554	5671.761639
10.94_572.4358m/z	572.435799	10.94183333	pos	Sulfobacin SL8	LMSP00000023	Lipids and lipid-like molecules	Sphingolipids	Other Sphingolipids			36.1	0	M+H-H2O	C32H63NO6S	2.506704243	13124.4494	11902.34582	13233.11341	13280.69769	17073.85381	10738.81953	12648.88052	13707.17851	12941.66493	13397.54574	13194.4625	11058.04705	13419.72541	14256.75646	15045.16529	11329.46251	14444.41673	16385.11151	12960.05241
10.96_305.2379m/z	305.237882	10.9628	pos	Aprindine	85517	Benzenoids	Indanes	Unclassified			36.1	0	M+H-H2O	C22H30N2	0.84176943	3427.28293	3894.398653	3286.61263	2982.921691	2384.4383	3922.028803	2297.081286	4572.080913	1645.429667	3394.334242	2610.471451	5522.499588	2132.716387	2435.317869	4242.90493	4043.091035	4880.952575	5461.292699	4414.492971
11.11_325.1687m/z	325.1686546	11.10751667	pos	W146	45167	Unclassified	Unclassified	Unclassified			36.1	0	M+H-H2O	C16H27N2O4P	3.211490905	17935.71376	17428.27136	21880.36212	21771.75545	19199.08285	17941.19646	22582.25232	20135.72569	18686.45388	17682.07701	21345.90518	16694.87145	20380.67654	18279.79229	16981.13213	18897.23002	18212.56586	21849.3941	21488.80813
12.18_876.6813m/z	876.6812636	12.17966667	pos	PC(24:1(15Z)/P-18:1(9Z))	60266	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		36.1	0	M+Na	C50H96NO7P	-0.466359115	48368.47461	75431.94959	57346.41321	45845.68171	50211.85594	59685.11637	50325.98357	54728.82187	45651.69346	52605.35508	47760.55775	79524.14162	73266.65533	69717.48526	70614.30014	54970.8099	54277.84666	59262.31525	59339.77771
12.54_729.5891m/z	729.5890667	12.54093333	pos	SM(d18:1/18:1(9Z))	LMSP03010029	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	**	C00550	36.1	0	M+H	C41H81N2O6P	-1.969208016	36102.98104	33242.75088	25205.53019	34751.70573	21875.92791	40077.29668	33598.06798	44517.8349	37010.80751	42866.4168	40981.77681	573.4215525	3349.937103	6490.474276	18258.53507	11777.52043	13093.91896	18014.93727	28617.80869
12.58_200.0122m/z	200.012224	12.5819	pos	Indole-3-carboxylic acid	HMDB0003320	Organoheterocyclic compounds	Indoles and derivatives	Indolecarboxylic acids and derivatives	***	C19837	36.1	0	M+K	C9H7NO2	8.614938089	3450.127508	2865.60224	4057.282558	3752.62245	3500.636978	3401.338018	3339.519272	3035.4164	3415.801542	3577.750373	4266.926592	3504.731727	4167.705457	4828.855918	4105.222364	4650.646357	3570.54613	4778.200888	4046.098195
12.67_661.3985m/z	661.3984777	12.6693	neg	PHORBOL MYRISTATE ACETATE	44608	Unclassified	Unclassified	Unclassified			36.1	0	M+FA-H	C36H56O8	4.471297668	1686.735329	1230.689008	1104.375641	773.1869759	1787.663478	0.000297236	797.2908728	3368.722577	2487.699256	707.9273982	0.000297236	3222.633783	1186.382529	575.9302522	1254.109412	320.4854324	1420.808976	760.9464269	399.1660134
12.70_387.1820m/z	387.1819754	12.70366667	pos	"2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3-hydroxy-4,5-dimethoxyphenyl)-1-propanol"	HMDB0039349	"Lignans, neolignans and related compounds"	Unclassified	Unclassified			36.1	2.48	M+H-H2O	C22H28O7	4.355592383	16270.19036	11431.99916	20501.46575	23333.96237	16235.34963	14338.82005	20032.54631	23167.49843	29301.32363	13375.0467	21076.38565	22027.00288	20245.06384	16521.77404	18098.88914	18985.58319	16250.54636	19690.76815	23080.87024
12.81_285.1601m/z	285.1601391	12.80621667	pos	"Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-"	1514	Unclassified	Unclassified	Unclassified			36.1	0	M+H-H2O	C17H22N2O3	1.27337971	2190.222953	1523.735125	2141.850864	1721.940884	2352.792363	1939.28574	2539.813112	1998.527626	1688.454053	1879.764193	1768.593089	1145.730829	1855.9411	953.0352969	2347.186921	2375.712532	3054.222548	3590.862785	2147.384375
13.03_473.3231m/z	473.3231226	13.02666667	pos	Coprocholic acid	HMDB0000601	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		36.1	0.00946	M+Na	C27H46O5	-1.382579793	19616.62264	21245.27812	16279.59768	13631.48544	17282.80501	17587.68894	18642.88917	18089.93172	14444.69911	17888.23163	21286.46409	19602.81111	19318.55237	24449.20274	19338.23561	23891.21264	21822.76363	18121.09838	19068.64899
13.17_338.2746m/z	338.2746093	13.16601667	pos	Leukotriene A4-d5 methyl ester	96383	Unclassified	Unclassified	Unclassified			36.1	1.3	M+H	C21H27D5O3	2.384506718	62977.07862	42278.4376	69391.64303	65339.82019	63324.61703	70038.07745	67875.91377	78129.87209	57764.70143	64063.91137	56320.31818	55203.60152	80728.04024	80875.26738	80967.12776	55336.588	53143.73272	53907.49588	51496.70776
15.64_223.0729m/z	223.0728551	15.63521667	neg	L-3-Hydroxykynurenine	62389	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C03227	36.1	0	M-H	C10H12N2O4	1.895028462	3148.994409	3249.898905	3429.098433	5064.780649	4387.107804	4012.228504	3688.0802	4081.442718	3779.839313	3893.803285	3978.332159	3187.930922	3251.963956	2926.259431	2096.114878	2282.640181	2986.589598	3554.326632	3069.708485
15.91_447.3460m/z	447.3459994	15.90911667	pos	Trihydroxycoprostanoic acid	57683	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cholestane steroids	*		36.1	0	M+H-H2O	C28H48O5	-1.910224198	18032.89604	13467.69436	15762.29328	13977.43079	15517.44681	18144.03546	22279.55803	20220.52479	17318.39172	17489.56567	19028.2474	13803.6288	14150.76997	14298.24838	16196.82922	16085.44235	13720.02766	15542.32732	16478.51154
2.25_492.1074m/z	492.1073928	2.24635	neg	Pigment A aglycone	86127	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			36.1	0	M+FA-H	C25H19O8+	2.678053713	1100.237139	1271.510341	980.3468513	610.6130447	1327.475022	2668.588418	624.1042023	4462.245935	3269.664454	1427.523944	540.6981687	569.685853	736.8068655	466.8108006	462.9237636	490.2144293	525.7818191	576.4595723	726.056257
2.37_199.0061m/z	199.006083	2.373166667	neg	(3-ethenylphenyl)oxidanesulfonic acid	HMDB0124988	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			36.1	0	M-H	C8H8O4S	-4.851132522	953.7701494	1004.303768	1077.078261	939.3376277	936.4797182	956.8415771	914.0566771	686.6075992	832.6384481	825.1343805	809.1077884	857.8419011	815.6600052	837.6525511	944.6150007	634.1093319	775.6458269	898.3301305	794.8038261
3.53_769.0912m/z	769.0912183	3.534466667	neg	"1,2,3,4-Tetragalloyl-alpha-D-glucose"	68194	Unclassified	Unclassified	Unclassified			36.1	0	M-H2O-H	C34H28O22	2.330785466	6664.660529	8108.867645	5365.774675	7719.743184	6046.480226	7321.694948	6592.859042	6967.697434	5732.382477	7918.199975	8915.393533	7987.754287	7048.706101	8048.901501	8036.912544	7417.569042	7745.347383	8355.322231	6514.444661
3.76_553.0616m/z	553.0615619	3.764833333	neg	griseorhodin A	LMPK13020001	Lipids and lipid-like molecules	Polyketides	Aromatic polyketides			36.1	0	M+FA-H	C25H16O12	-1.60782036	1196.520636	1449.573618	1100.026138	1055.142176	1080.753803	1316.642381	1178.493226	1273.547028	1420.478894	1492.907758	1356.469255	981.6342078	1337.142266	1038.599737	1506.270406	1376.344173	1220.00762	1323.81327	1587.286559
3.80_221.1174m/z	221.1173512	3.80485	pos	Benzyl b-L-arabinopyranoside	96293	Unclassified	Unclassified	Unclassified			36.1	0	M+H-H2O	C13H18O4	0.547507185	1395.561356	1170.064471	1387.402219	1544.881308	1153.61574	1333.919087	1554.870714	1583.995511	1126.182694	1293.437135	1341.014597	1837.617738	1149.556622	1219.634383	1570.813637	1682.994052	1106.774324	1466.951155	1273.856262
3.95_749.3374m/z	749.3374061	3.952483333	pos	Glucoscilliroside	LMST01130009	Lipids and lipid-like molecules	Sterol Lipids	Sterols			36.1	0.0551	M+H-H2O	C38H54O16	-0.641034884	4816.083845	5995.430425	5033.102192	5757.383246	5060.187503	4703.148824	7414.27629	2465.819041	1896.651574	3446.219556	5437.505198	5636.858933	5236.126522	5563.874522	4597.815184	6533.127139	8116.560613	8278.763212	6405.439081
4.18_257.1017m/z	257.1017351	4.183033333	neg	Triethyl citrate	HMDB0034263	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives			36.1	0	M-H2O-H	C12H20O7	-4.80499271	399.0366628	594.9705837	490.5221937	384.6356402	554.7963823	401.7696344	228.5693375	1015.918314	839.8721093	396.8319758	350.9930409	302.9232279	405.9567581	148.1983451	201.989467	169.755863	361.8394305	388.7828471	201.698872
4.27_579.0934m/z	579.0933705	4.267633333	neg	Fusaroskyrin	89843	Benzenoids	Anthracenes	Anthraquinones			36.1	0	M-H2O-H	C32H22O12	0.142883066	1310.59818	1154.955335	1399.314292	2076.947705	966.3481608	1481.911099	1156.663083	806.0868078	1336.193199	1170.929319	1088.922396	1236.284726	1092.509837	1211.58739	1683.635085	1493.817019	1365.033009	1958.345571	1809.837338
4.41_921.7860m/z	921.785957	4.410033333	pos	"TG(15:0/20:0/20:3(5Z,8Z,11Z))"	HMDB0043087	Lipids and lipid-like molecules	Glycerolipids	Triradylcglycerols	*		36.1	0	M+Na	C58H106O6	-2.453098214	13449.79092	14968.71602	14851.12602	13956.55406	10342.56094	18225.526	12970.00359	11510.64636	7949.674821	13500.44247	16924.0951	6520.925484	17973.95785	12661.44907	12203.44041	11071.36565	11234.77622	14595.92061	15875.75856
5.27_144.0442m/z	144.0441554	5.271183333	neg	1H-Indole-3-carboxaldehyde	HMDB0029737	Organoheterocyclic compounds	Indoles and derivatives	Indoles	***	C08493	36.1	0.272	M-H	C9H7NO	-9.182931387	1499.334215	1715.605995	1700.812742	1742.907165	1793.536389	1577.299376	1746.958973	1261.482444	1434.315935	1521.793884	1709.337869	1597.666815	1444.681431	1345.428516	1585.792794	1657.605231	1449.969221	1839.606408	1587.118523
6.26_211.1327m/z	211.1327423	6.261333333	pos	Isoamyl 2-furonpropionate	HMDB0037735	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		36.1	0	M+H	C12H18O3	-0.61209544	1529.284092	1303.678874	1567.190445	1328.684137	1578.742313	1360.380574	1405.786068	1018.926479	1267.665381	1154.888984	1146.983689	1330.330884	1320.520925	1252.733769	1241.369448	1371.527779	1288.802574	1348.758828	1252.716137
6.43_585.0864m/z	585.0864233	6.42565	neg	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)	50628	Lipids and lipid-like molecules	Polyketides	Flavonoids			36.1	0	M-H	C27H22O15	-3.70294266	1859.50166	2207.91816	1825.752295	2800.50217	2629.247764	2295.105801	2794.434328	2342.583044	2615.697932	2957.528093	2384.250739	2833.537013	2273.445347	2662.456463	2112.799611	2221.113582	2855.297945	2390.350275	2475.200239
6.54_439.2315m/z	439.2314535	6.54035	neg	[6]-Gingerdiol 5-O-beta-D-glucopyranoside	91280	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		36.1	0	M-H2O-H	C23H38O9	-4.993328082	1069.61335	1214.386069	1368.262338	1646.394338	782.1895572	2099.618652	822.2415522	0.000297236	0.000297236	703.8416178	1641.676581	0.000297236	1251.50292	1381.913147	1705.830784	1133.943366	1471.320856	1380.04765	1539.659342
6.93_347.1863m/z	347.1863046	6.9307	neg	"19-Hydroxyandrost-4-ene-3,17-dione"	HMDB0003955	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	**	C05290	36.1	0	M+FA-H	C19H26O3	-0.30751554	110.3602547	95.15314493	146.0002842	0.000297236	0.000297236	0.000297236	0.000297236	586.9136678	803.4463226	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	264.3219171	171.7661051	191.9643682	365.9281317	0.000297236
7.17_498.0474m/z	498.0473963	7.169033333	pos	Cefovecin sodium	69543	Unclassified	Unclassified	Unclassified			36.1	0	M+Na	C17H18N5NaO6S2	-3.039554141	1605.671512	1932.700463	1699.778304	2293.016144	1826.16623	2007.095283	1885.775343	2063.717379	1972.862153	1999.232388	2144.032537	1493.853756	1903.760288	1939.540017	2027.309367	2121.950201	2044.049928	2136.729186	1850.195751
7.78_289.0694m/z	289.0693872	7.783116667	neg	"3,3',4'5-Tetrahydroxystilbene"	HMDB0004215	Phenylpropanoids and polyketides	Stilbenes	Unclassified	***	C05901	36.1	0	M+FA-H	C14H12O4	-9.728806728	1013.589779	934.8069325	836.4207269	782.8226312	1269.196388	770.6121221	1101.426878	914.6126258	654.9916252	836.6282118	930.3087483	665.6110471	692.1262697	843.04371	790.8338854	588.3127262	917.9660614	892.115827	808.4903086
7.99_323.1085m/z	323.1084537	7.990466667	neg	"Dibenz[a,h]anthracene"	69967	Unclassified	Unclassified	Unclassified			36.1	0	M+FA-H	C22H14	2.518404539	1094.326699	1008.920277	1041.631061	700.0033824	1252.716869	568.371334	546.7917344	1003.159439	1372.619541	484.8154	839.830289	997.1283457	736.4460407	706.1466761	1552.788468	760.5438336	943.9006814	935.7031814	1419.271339
8.30_270.1710m/z	270.170986	8.3018	neg	"Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine"	88271	Organoheterocyclic compounds	Azacyclic compounds	Dithiazinanes			36.1	0	M-H2O-H	C15H31NS2	-3.336318444	1404.360752	844.5354494	1301.339149	850.3524493	1347.640579	1130.378574	1303.362384	1765.856436	2088.661348	1264.799929	1273.366763	2130.225439	706.9267679	812.5236722	515.2566916	534.4058291	626.7326933	805.7020032	597.8640202
9.25_241.1339m/z	241.1339227	9.245416667	neg	FENSPIRIDE	43463	Unclassified	Unclassified	Unclassified			36.1	0	M-H2O-H	C15H20N2O2	-2.744672566	114.7595989	67.38858781	94.41276264	130.7287932	238.7058687	119.1927099	260.0280458	235.5392553	215.2137389	125.2014202	315.4527256	352.3483763	311.0358881	136.4573329	284.5302537	456.0524073	135.3684877	222.3293431	356.0683691
9.79_485.2981m/z	485.2981423	9.79065	neg	Dipyridamole	2341	Organic nitrogen compounds	Organonitrogen compounds	Amines			36.1	0	M-H2O-H	C24H40N8O4	-2.515066102	1388.684152	1395.013113	1398.30452	1101.248526	1389.761311	1168.596859	1329.387661	1020.592124	693.203787	1620.190869	1865.397955	1467.215465	1466.658831	1773.872146	1459.188186	1080.275527	1716.280578	1593.083078	1727.855629
0.44_445.1194m/z	445.1194339	0.439416667	pos	Osaterone acetate	72187	Unclassified	Unclassified	Unclassified			36	0	M+K	C22H27ClO5	3.875665311	1006033.507	1029409.117	979485.5563	1012999.598	1002262.545	1042950.315	1021874.744	983025.4515	942183.3018	1003349.364	997571.6639	1093741.541	1044634.059	1253670.05	1020377.415	1009392.131	960197.533	1038373.943	914735.5205
0.48_257.2262m/z	257.2261702	0.478916667	pos	7-Oxosteroid	65670	Unclassified	Unclassified	Unclassified			36	0	M+H-H2O	C19H30O	-0.755470706	3552.119925	2494.424793	2616.712417	2823.54704	2817.113207	3287.448781	2720.73646	3085.16016	3076.815961	2921.192532	2629.748534	2813.111522	2292.229206	2358.670641	3015.296079	2621.002748	3182.248376	3058.979833	2994.003929
0.53_237.1634m/z	237.1633847	0.533033333	pos	Methyl Benzylidene	43256	Unclassified	Unclassified	Unclassified			36	0	M+H-H2O	C18H22O	-1.543662791	2720.529851	2615.871496	2537.671402	2565.219448	2642.173757	3322.535114	2800.854392	2932.242931	3164.326962	3042.985447	2780.830838	2321.16593	2726.370666	2288.227081	2534.051435	4064.790156	2739.615828	2754.674041	2566.774881
0.62_519.1062m/z	519.1062053	0.623133333	neg	Piretanide glucuronide	1980	Unclassified	Unclassified	Unclassified			36	0	M-H2O-H	C23H26N2O11S	-3.129757475	2361.606501	2266.967961	2508.384898	1758.668781	938.3002432	1198.648669	1048.510415	1259.427339	1090.401752	1097.391706	1485.79435	1980.586033	2345.11623	1746.382151	1539.559128	2483.442102	1552.523368	2592.425515	2779.076888
0.63_627.2006m/z	627.2006368	0.62635	pos	Chlorophyll c	HMDB0031147	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Porphyrins			36	0	M+K	C35H32N4O5	0.354584108	10214.51431	12408.03566	11023.31968	15225.46268	14406.01225	14915.22997	8619.920816	25197.12482	20059.55088	9507.574001	9634.968396	26014.763	10269.27104	7795.895903	11249.43481	9026.49449	11306.50983	14404.68941	5450.819612
0.64_269.0195m/z	269.0195186	0.643516667	pos	Fonofos	72746	Unclassified	Unclassified	Unclassified			36	0	M+Na	C10H15OPS2	0.423684207	4888.954044	6256.731424	6117.294189	6797.786392	5674.934627	5046.610085	7711.919959	2675.608071	6900.6251	6941.045163	6798.273624	359.4069917	8663.839547	2870.075233	747.089352	6906.686606	7849.591638	4701.477128	6957.447616
0.66_287.0701m/z	287.0701009	0.660716667	pos	Tetrangulol	63741	Unclassified	Unclassified	Unclassified			36	0	M+H-H2O	C19H12O4	-0.55823118	12073.2881	10381.37029	9747.904999	13187.55302	11412.46732	9714.33079	13079.61782	6989.245578	6697.429327	9734.904171	14080.38346	7704.852617	13841.70586	10094.29328	13947.03535	14944.30121	12000.91513	14723.04094	10363.81149
0.71_395.0633m/z	395.0632567	0.712816667	neg	"2-(2,5-dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxy-3,4-dihydro-2H-1-benzopyran-4-one"	HMDB0129500	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			36	0	M+FA-H	C16H14O9	3.632999265	85315.72574	72344.40633	89917.25451	111389.4626	58377.40771	134812.6411	44279.06293	116554.685	98901.41005	76962.2986	110893.0627	82994.6922	71019.20003	54139.28246	57654.46378	115641.8493	53157.10567	109088.3483	49133.72095
0.71_425.1343m/z	425.1342601	0.712816667	neg	Fluacrypyrim	72396	Unclassified	Unclassified	Unclassified			36	0	M-H	C20H21F3N2O5	3.003936173	15084.72281	9506.06557	9092.479004	9756.910137	17154.72216	4474.366035	11816.23244	28727.66889	9897.507237	6460.371001	11095.26821	9245.95954	7421.839541	10034.86334	6460.479558	8843.379466	9725.789922	11652.67526	6558.514444
0.82_166.0722m/z	166.0722291	0.816033333	pos	6-O-Methylguanine	64619	Unclassified	Unclassified	Unclassified			36	0	M+H	C6H7N5O	-0.649282655	3557.822806	3704.17972	4205.142885	3406.371694	5728.352092	4564.175935	4675.757783	2469.941396	2759.530411	6158.831439	3515.953274	2709.0619	3888.184465	5247.161178	4687.403921	5255.825652	4602.408806	2888.024582	2952.208629
0.82_297.1068m/z	297.1068033	0.816033333	pos	Medinoterb acetate	72816	Unclassified	Unclassified	Unclassified			36	0	M+H	C13H16N2O6	-4.42202812	1923.053141	3186.741846	3473.169098	4964.184383	6763.264323	5603.744521	7177.973247	2404.122236	1342.659959	6692.405657	4759.333954	0.000297236	2552.088596	3150.2579	2030.773339	1413.126361	3570.607326	3030.266732	3625.512959
0.85_169.0056m/z	169.0055973	0.850933333	pos	"4-Fluorocyclohexadiene-cis,cis-1,2-diol"	71224	Unclassified	Unclassified	Unclassified			36	0	M+K	C6H7FO2	-4.37107528	4236.849304	5139.452618	4274.261272	4290.676551	4588.098671	3407.132099	4453.870218	4976.741866	4574.081148	4629.659531	4208.43477	4254.64743	3679.242068	5003.770124	5726.003198	5259.740557	5160.9175	4530.407774	3906.663974
0.88_299.0372m/z	299.0372472	0.877566667	neg	L-Djenkolic acid	44506	Unclassified	Unclassified	Unclassified			36	0	M+FA-H	C7H14N2O4S2	-1.789498451	1481.572853	1135.527133	1489.692553	926.3109156	1285.168015	1197.025704	903.4012367	1889.238216	1418.829077	2963.6745	816.6185965	1370.840274	756.9819939	911.3888801	1021.846046	1073.371203	1919.786884	781.5644719	973.2799564
0.88_368.0767m/z	368.0767445	0.877566667	neg	"2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]-  (Acenocoumarol metaboli"	574	Unclassified	Unclassified	Unclassified			36	0	M-H	C19H15NO7	-2.251249001	4126.306206	3153.693325	4720.359695	4302.57877	4478.834105	3906.76755	3266.422162	6930.99611	7966.813337	3975.241238	3340.130665	4404.275132	2861.939704	2346.311543	2105.31264	1593.884273	1327.32898	2186.193646	4431.543308
1.06_274.0872m/z	274.0871641	1.062216667	pos	Naptalam	72631	Unclassified	Unclassified	Unclassified			36	0	M+H-H2O	C18H13NO3	3.122979729	180835.022	204272.5836	177992.8062	207971.1571	185543.5906	150059.0793	157858.3944	197604.4435	206670.4329	171487.7018	163052.5836	250727.3524	194586.3451	192440.4956	231251.4347	235550.4694	161231.9377	173838.1895	168683.0498
1.06_627.1835m/z	627.1835249	1.063433333	neg	"S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE"	44546	Unclassified	Unclassified	Unclassified			36	0	2M-H	C12H27OPS3	-2.433809623	19642.69265	13164.33727	17077.70703	20035.14693	23749.94035	15523.61317	21701.37258	8290.577034	20397.96903	15546.65478	24502.17738	8285.588439	17656.24051	17701.99102	13940.42925	10972.07953	11002.34238	8732.685951	17765.1874
1.08_524.1552m/z	524.1552426	1.081483333	neg	10-Carboxy-13-deoxycarminomycin	63791	Unclassified	Unclassified	Unclassified			36	0	M-H2O-H	C27H29NO11	-1.798797499	15819.21968	15298.0511	11925.36074	17696.24468	13211.91596	22771.70908	15256.75634	26095.77851	32156.97298	14583.39459	14545.97564	14125.67262	14628.89612	10778.64857	8330.078766	15272.78708	13195.13497	16112.09864	20439.03228
1.18_514.0710m/z	514.070951	1.1797	neg	2-(a-Hydroxyethyl)thiamine diphosphate	HMDB0003904	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C05125	36	0	M+FA-H	C14H23N4O8P2S+	3.336684231	3405.044414	2697.012653	3996.614901	3285.238882	3323.822613	3480.801247	3691.538471	2964.703059	3026.168221	2839.908901	3800.372183	2137.061429	4178.465202	4139.183364	3630.866393	4069.533127	3447.548574	3580.022988	3557.521344
1.22_332.2791m/z	332.2791369	1.219283333	pos	"(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid"	LMFA01050451	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates		C07355	36	0	M+NH4	C18H34O4	-1.267063393	4192.596555	3884.304737	3787.634519	5015.9887	4485.632121	3817.19395	3611.77605	4005.204686	3316.248052	4430.39871	4660.406794	3969.446782	3779.58089	4251.796083	4118.990679	4623.581285	4075.379638	3459.102301	3102.858351
1.26_174.1234m/z	174.1234374	1.25845	pos	L-NIO	62971	Unclassified	Unclassified	Unclassified			36	0	M+H	C7H15N3O2	-1.535226864	850.0059348	1044.047447	943.6225304	1152.728661	1124.27209	866.1523746	1048.099628	1675.471879	825.739775	588.8752086	1517.176818	1803.859823	1092.932052	991.5781397	1027.435462	895.1526014	1360.616463	1474.639477	1008.352015
1.28_351.0349m/z	351.0348671	1.278416667	neg	4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate	72169	Unclassified	Unclassified	Unclassified			36	0	M-H	C15H12O10	-2.565088047	5502.495719	5545.100806	6076.86238	5462.3875	5025.786986	7059.713405	6432.459222	5069.496241	3889.621951	5005.192279	5619.063846	5034.667389	5991.137764	5527.028261	5812.135122	6182.279151	5858.155101	5367.630102	5607.25889
1.34_215.0167m/z	215.0166993	1.336933333	neg	2'-Hydroxybiphenyl-2-sulfinate	66515	Unclassified	Unclassified	Unclassified			36	0	M-H2O-H	C12H10O3S	-2.242319145	680.8431434	614.8904545	876.1853188	481.1316964	851.3263406	429.351609	467.7779888	1643.4187	667.7409674	342.0945321	415.6888537	870.5144809	729.0522374	897.7764429	728.6202079	652.6747387	824.1396195	735.3670799	845.7350457
1.36_296.1594m/z	296.1594347	1.355533333	pos	"N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole"	61979	"Nucleosides, nucleotides, and analogues"	Benzimidazole ribonucleosides and ribonucleotides	Unclassified	**	C05775	36	0	M+NH4	C14H18N2O4	-3.767762693	926.3851919	1100.076034	1048.02264	1019.116271	357.7914931	882.8853555	780.0815813	3411.596908	4199.55048	314.2993936	247.2778126	638.0805163	1102.489477	1055.796154	211.2053499	142.0075198	168.2710178	501.4626974	484.9010994
10.25_459.2725m/z	459.2724903	10.25406667	neg	Sodium deoxycholate	68890	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	**	C04483	36	0	M+FA-H	C24H39NaO4	-0.764159972	696.5500019	779.2666736	860.0274735	1315.387335	866.7480471	381.0593636	1028.026755	0.000297236	0.000297236	1326.982936	1029.32581	0.000297236	245.436205	817.5675157	1597.700571	1102.820839	2472.466694	2594.7156	227.9690084
10.26_1065.5866m/z	1065.586574	10.25731667	pos	PIM1(18:0/18:1(9Z))	LMGP15010019	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositolglycans			36	0	M+K	C51H95O18P	-2.130631146	3977.378348	4209.334732	4140.348721	5579.425907	6085.941572	5279.510678	6742.308665	3002.986895	4212.302928	1190.741438	1075.574099	4044.093942	4644.283394	6420.392089	7696.570774	5961.213894	5022.135537	6718.807985	11556.99328
10.30_673.3084m/z	673.308434	10.29658333	neg	Pisumoside B	92095	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		36	0	M-H2O-H	C32H52O16	1.068139031	2232.702406	1646.864565	1911.036072	1989.029849	2371.165591	1982.911593	2158.545377	1162.882763	2136.916393	2201.16719	1784.730678	2807.572381	2285.042646	2015.037628	2687.415537	2113.928948	2833.896298	1689.699563	1563.17338
10.53_789.0559m/z	789.055919	10.5305	neg	Nicotinate adenine dinucleotide phosphate (NAADP)	4235	Unclassified	Unclassified	Unclassified			36	0	M+FA-H	C21H27N6O18P3	-2.354448744	19395.97653	16551.85041	16322.09267	19415.31292	16538.82302	16449.78048	13737.37419	16828.79017	13256.02801	17516.1169	18163.64772	23417.85729	19896.84341	19814.06726	20023.57086	20198.6164	18107.73081	18773.39721	21834.79584
10.55_302.1059m/z	302.1058773	10.5469	pos	p-[N-Propyl-N-(2-hydroxypropyl)sulfamoyl]benzoic acid	2089	Unclassified	Unclassified	Unclassified			36	0	M+H	C13H19NO5S	0.687978565	398.0961155	370.5696545	309.5605698	498.3896424	253.0957013	131.9686944	425.6122299	160.4863373	481.2475865	393.5735815	543.0654569	0.000297236	148.6357553	418.731831	423.5321194	516.9575179	638.4605443	543.6045984	425.0588951
10.93_523.0194m/z	523.0194414	10.93288333	neg	8-Hydroxyapigenin 8-(2''-sulfatoglucuronide)	LMPK12111357	Lipids and lipid-like molecules	Polyketides	Flavonoids			36	0	M-H2O-H	C21H18O15S	1.1837323	1193.445368	1625.93218	1885.374664	2134.933201	2171.195153	1139.699177	2186.856939	2034.188048	1212.951878	1966.772087	2852.613264	2537.918022	1484.121141	1887.927932	1939.669966	976.7255599	1481.132009	1849.54046	726.1599936
11.00_528.9912m/z	528.9912361	10.99718333	neg	"6-{[1-carboxy-7-hydroxy-3,5-dioxo-9-(sulfooxy)-1H,2H,3H,5H-cyclopenta[c]isochromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0133723	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			36	0	M-H2O-H	C19H16O17S	-3.180189475	2283.285062	2314.087202	1711.642495	2212.645	2248.177878	1301.483422	915.6996065	1794.310645	2084.38698	1217.119896	1411.510968	1798.976373	2241.691343	1338.521052	2019.541776	1487.294829	2144.659405	1427.687281	1760.62197
11.11_313.1591m/z	313.1590704	11.10751667	pos	"(2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiazolidine-3-carboxylate"	65471	Unclassified	Unclassified	Unclassified			36	0	M+NH4	C15H21NO3S	3.491077107	22881.01789	23587.16543	24848.32222	31029.35692	23277.81374	22822.00081	28493.45065	29240.72051	23272.9611	21504.11502	25705.19324	23085.05359	27681.86966	23580.65559	19747.00709	22113.51371	21845.27113	30152.61359	25022.89048
11.17_918.1913m/z	918.1913133	11.16756667	neg	7-Methyl-3-oxo-6-octenoyl-CoA	71208	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl thioesters	*	C16466	36	0	M-H	C30H48N7O18P3S	-0.379550489	4598.066544	4709.932393	4192.234665	4830.346706	7175.388363	6913.694285	6705.743143	6686.652657	4754.973196	5698.205425	6640.222695	6039.929081	6792.363078	5756.777251	6465.300209	5623.557283	6809.795648	6976.926863	4677.394483
11.21_563.0501m/z	563.0501071	11.21011667	neg	"[2,6-dihydroxy-4-(7-methyl-11-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(12),3,5(13),6,9-pentaen-3-yl)phenoxy]dihydroxyoxo-λ?-sulfanylium"	HMDB0124756	Unclassified	Unclassified	Unclassified			36	0.0791	M-H2O-H	C24H22O15S	0.01247245	6166.024059	6297.947036	6930.501451	7815.982214	8360.436935	8123.74627	6450.581968	7460.158275	8049.567468	7759.53265	7620.124805	8457.313119	7926.260032	6491.595533	9130.632753	8754.074162	8376.590499	7887.067595	8104.159892
11.51_428.2414m/z	428.2413633	11.50813333	neg	PC(O-8:0/O-1:0)[U]	40254	Unclassified	Unclassified	Unclassified			36	0	M+FA-H	C17H38NO6P	-1.34154825	502.6791177	634.4956722	601.2405815	816.2602292	697.1007909	1082.63602	536.2841966	238.476057	516.0053355	1052.018057	470.3777352	760.1839542	592.3921429	878.3444147	968.8504436	855.1453556	1036.286622	1038.841294	701.7349303
12.16_345.2643m/z	345.2642844	12.1649	neg	(R)-3-Hydroxy-Octadecanoic acid	HMDB0010737	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		36	0	M+FA-H	C18H36O3	-1.210523423	521.5745327	447.9120747	431.5183945	684.2833054	378.0596011	275.3281758	927.1415705	0.000297236	730.7693443	223.5466511	799.6864985	287.834469	579.6529625	690.0725502	484.3292105	417.6085265	438.291531	598.7438894	544.5765875
12.29_830.4963m/z	830.4963086	12.29065	neg	"PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	60551	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		36	0	M+FA-H	C45H72NO8P	-1.844845557	23885.89453	16094.43569	16153.48236	23620.66418	22648.57731	11507.18103	28848.89986	28075.16457	35420.16629	26746.96468	16250.89902	0.000297236	12408.60433	15258.75167	19763.90285	27905.5653	26526.52353	22087.82722	17520.57254
12.67_427.1635m/z	427.1635133	12.6693	neg	Thioproperazine	85535	Organoheterocyclic compounds	Benzothiazines	Phenothiazines			36	0	M-H2O-H	C22H30N4O2S2	0.753493366	6483.83693	5433.075679	5684.46224	4893.493979	8223.76687	4550.309933	4542.708919	10718.72662	8844.861242	4565.848039	5254.794102	8783.523936	6992.388825	5885.598899	5976.879842	4973.683735	6205.241553	5676.102358	5573.619277
12.76_433.3313m/z	433.3313296	12.76438333	pos	"23S,25,26-Trihydroxyvitamin D3"	HMDB0060134	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	*		36	0.594	M+H	C27H44O4	0.215752457	31670.62204	21708.61363	29736.23724	32705.21738	32840.10887	31226.94481	32254.80875	31151.09676	35624.06703	31941.09976	31950.69939	21258.89165	25020.27501	26383.44027	27952.78925	28897.92188	43847.09241	44281.01035	37746.80721
13.42_509.0202m/z	509.020217	13.42078333	neg	Sulfathiazole	43338	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides		C11169	36	0	2M-H	C9H9N3O2S2	0.502573943	11511.59475	12165.47232	9997.551133	12258.31177	11321.82554	9754.901892	13955.76789	10307.65059	10720.57328	12328.41111	13698.72002	10719.41329	10017.51513	7363.210541	12737.29918	11834.32453	13023.11933	11005.12189	13455.44151
2.05_165.0736m/z	165.0736013	2.054766667	neg	3-(4-Methyl-3-pentenyl)thiophene	92919	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			36	0	M-H	C10H14S	-4.478222778	71394.61268	78081.03102	73314.90281	79543.20143	82193.68502	72119.46786	74139.5799	65815.47869	61410.6886	76143.81889	74466.0604	70371.07757	77127.59621	75741.73537	75514.77199	70016.14359	79189.88131	79144.6927	98393.05604
2.74_363.0242m/z	363.0241568	2.743033333	pos	Pyochelin	69268	Unclassified	Unclassified	Unclassified			36	0	M+K	C14H16N2O3S2	2.358781465	6302.959696	7476.801663	5590.567045	7244.160907	5446.667445	6690.661373	6145.74968	4395.829413	5601.651685	5684.403423	5539.714712	7285.224117	7689.400601	6893.319362	5532.977001	5655.621252	4970.212638	6754.947231	5959.914835
3.04_712.2331m/z	712.2331287	3.040566667	pos	Dexylosylpradimicin C	66545	Unclassified	Unclassified	Unclassified			36	0	M+NH4	C34H34N2O14	-2.44979774	43755.40472	28043.67554	39989.18434	40728.50077	38142.71231	32555.28574	38859.76819	40947.83062	45928.29431	41794.35114	43206.6223	29896.10089	30186.62718	35890.52737	38080.17508	38670.14048	37604.81506	32883.19222	34472.58892
3.14_287.1765m/z	287.1764923	3.136216667	pos	Sterol	63345	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	*	C00370	36	0	M+K	C17H28O	-2.744808717	1122.145302	1419.070991	1272.430569	971.3354101	1609.212311	1572.162974	1731.38205	2416.433224	1868.343979	1486.859426	1681.224755	744.2337851	1428.970055	1063.701218	868.0126373	591.0466882	964.0063004	832.5876559	934.3581495
3.53_713.1845m/z	713.1844859	3.534466667	neg	Balsalazide	HMDB0015149	Organoheterocyclic compounds	Azobenzenes	Unclassified			36	0	2M-H	C17H15N3O6	-0.571418129	4604.298161	3311.35476	5861.849678	4081.205932	4605.319912	5274.743159	3861.378468	3678.257352	3043.347585	4536.524636	5165.673111	5511.861964	3950.255231	5147.799325	4677.498057	3909.50538	6441.727056	5993.812568	5723.180667
3.60_391.2108m/z	391.2108454	3.598316667	pos	"6,7-Dimethoxy-7-epirosmanol"	HMDB0030844	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		36	0	M+H	C22H30O6	-1.716192571	4830.73391	5206.368082	4832.309271	5274.287811	4109.246629	4652.677913	4867.304902	2001.759306	2617.555503	4180.168496	5144.88101	4952.400361	5970.058398	5129.63782	6609.263819	5810.345317	5197.790084	4809.600446	3885.129882
3.64_697.0267m/z	697.0267407	3.640283333	neg	Fenthiaprop	72863	Unclassified	Unclassified	Unclassified			36	0	2M-H	C16H12ClNO4S	-1.570107074	10597.14892	7244.395834	9427.103883	8275.341763	10530.5414	9718.769633	9731.65336	9489.17912	8684.960763	8681.059718	7446.470151	6480.135892	9317.797369	10503.22998	12209.50609	10797.02423	11137.99615	8416.120493	8037.779038
3.64_708.1067m/z	708.1067355	3.640166667	pos	"Chymosin preparation, escherichia coli k-12"	HMDB0032199	Organic acids and derivatives	Peptidomimetics	Depsipeptides		C05821	36	0	M+K	C30H27N3O15	-0.956057401	12652.847	19132.68811	17189.59009	17991.80157	17856.73751	14028.23672	18894.89133	24233.12456	19548.12313	4002.883042	14468.84329	19669.99233	22990.15491	18673.40697	9104.679187	10522.29361	14938.49458	12153.37643	10436.46896
3.72_622.0656m/z	622.0656398	3.72035	pos	UDP-N-acetyl-D-mannosaminouronate	63223	Unclassified	Unclassified	Unclassified			36	0	M+H	C17H25N3O18P2	-3.978490275	1468.669437	1462.063198	1247.452169	1883.64028	687.8206605	1136.89387	3562.669444	2624.622034	4256.078575	1711.933463	1830.289366	1388.745951	4092.909694	2346.849717	1237.005394	1951.85569	1905.013437	2237.524511	1418.003003
3.83_236.0950m/z	236.095007	3.82585	pos	Simetryn	70077	Unclassified	Unclassified	Unclassified			36	0	M+Na	C8H15N5S	4.550751573	1257.076237	1535.335295	1114.647262	1333.195339	1246.202989	817.1555222	908.460754	2895.376615	2303.920386	830.6951299	1013.274171	2591.053896	1140.628609	1369.697414	1617.510527	1070.878583	1099.20805	1361.261212	1158.812153
3.85_516.1767m/z	516.176743	3.850883333	neg	Grepafloxacin glucuronide	69120	Unclassified	Unclassified	Unclassified			36	0	M-H2O-H	C25H30FN3O9	-3.781209809	501.1505859	495.5465153	468.4132427	406.305641	255.9995553	272.5332443	1377.623632	2188.652791	912.8308367	372.4185171	905.1337787	134.1644039	431.2697802	443.0207283	134.020642	137.5464739	353.684389	107.9432541	424.122238
3.91_273.0342m/z	273.0341738	3.912883333	neg	ensulizole	4009	Unclassified	Unclassified	Unclassified			36	0	M-H	C13H10N2O3S	0.864982074	126.0075788	201.2671224	155.638195	49.35467968	0.000297236	0.000297236	84.81538491	33.15115282	140.0469733	46.6317198	37.06033284	113.4102507	0.000297236	155.3918771	0.000297236	753.1557861	84.25103135	214.0837948	80.65012561
3.93_818.2510m/z	818.2510333	3.930916667	pos	Malvidin 3-O-(6-O-(Z)-p-coumalonyl-beta-glucopyranoside)-5-O-beta-glucopyranoside	47169	Unclassified	Unclassified	Unclassified			36	0	M+NH4	C38H40O19	1.035673847	4235.428163	3650.290579	3841.577065	2298.938541	3161.680502	1422.315918	4973.167159	3575.158825	5746.73347	5639.649512	4225.636701	4963.184197	2145.426608	5577.635872	4457.408229	3914.227974	3960.345877	5851.558326	3909.614459
3.95_297.1342m/z	297.1341961	3.952483333	pos	Trimethylolpropane triacrylate	70137	Unclassified	Unclassified	Unclassified			36	0	M+H	C15H20O6	3.145000438	1001.554302	1086.411552	988.7024122	850.7805983	1292.295453	1002.509336	729.8161903	1053.585693	1209.239503	761.9104463	847.6932067	406.6191727	1001.728181	1073.357112	576.1685398	823.5049036	783.9769203	889.0392359	1084.998806
4.58_633.3319m/z	633.3319097	4.575416667	pos	Paromomycin	HMDB0015490	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00832	36	8.1	M+NH4	C23H45N5O14	2.89778308	4431.752321	5836.517208	4379.788268	7686.546035	5459.871109	6532.209201	4977.667624	12250.03351	9888.873368	5725.265138	6213.875224	8813.845061	1978.694017	4600.399789	4173.74346	4027.537431	5042.592645	3788.418771	3655.513115
7.26_411.1918m/z	411.191774	7.260533333	neg	SKF-96365	45178	Unclassified	Unclassified	Unclassified			36	0	M+FA-H	C22H26N2O3	-2.106918094	861.3864196	811.8409875	748.9636168	1611.583607	243.6732507	940.5081963	372.9028018	887.3479924	563.2165701	499.5275475	631.8431565	1058.659475	877.3205254	954.2758162	622.5980591	875.1794254	1249.706032	1327.345553	1420.733577
9.11_405.1894m/z	405.1894025	9.111633333	neg	Tryptophyl-Arginine	HMDB0029077	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			36	0	M+FA-H	C17H24N6O3	0.585724545	471.1475877	603.8717428	706.8162061	383.5943541	824.7239872	289.6565413	576.9727902	770.7530462	877.0269091	711.1205007	720.8609631	413.3218567	310.874871	621.2283852	852.1642772	765.3418257	344.506416	394.8487694	259.2203936
9.85_716.2622m/z	716.262199	9.854016667	neg	5-Methyltetrahydropteroyltri-L-glutamate	HMDB0012177	Lipids and lipid-like molecules	Steroids and steroid derivatives	Cholestane steroids	*	C04489	36	0	M-H	C30H39N9O12	-3.265521737	1473.140819	2060.329544	2215.918427	2103.068879	4887.1161	2901.817357	3258.032146	1629.773889	3893.626236	2697.078882	3009.501812	5120.633752	4371.05402	2331.280656	2503.846023	1467.134365	1756.591575	1841.096096	3184.780489
1.02_662.1024m/z	662.1024151	1.022333333	neg	Nicotinamide adenine dinucleotide (NAD)	101	Unclassified	Unclassified	Unclassified			58.6	98	M-H	C21H27N7O14P2	0.859088647	18246.7245	18398.54	19461.93421	22572.47529	25434.78705	24674.03858	23949.44936	12885.94033	11793.6881	30814.61105	20180.80363	10206.04248	19043.32706	17806.0846	23623.00548	16829.38979	20933.90606	18789.53786	20768.36191
0.70_147.0763m/z	147.0763447	0.695266667	pos	D-Glutamine	63630	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00819	58.2	93.8	M+H	C5H10N2O3	-0.505880004	1498044.879	1613658.935	1166398.701	1542785.245	1497657.672	1430001.018	1146956.308	1422112.37	1538674.856	1458765.834	1256866.358	1749785.49	1337027.622	1474871.84	1282502.65	1660664.027	1288117.724	1566026.259	1324259.659
10.24_477.2848n	478.2921224	10.23813333	pos	"LysoPE(18:2(9Z,12Z)/0:0)"	HMDB0011507	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	***		58.2	95.3	"M+H, M+Na"	C23H44NO7P	-1.45279341	222355.9352	250084.1028	233386.2156	211546.1083	261214.1134	224846.6983	201604.3582	178555.2521	271685.1113	164912.9072	162241.1015	379437.302	361679.684	267321.695	267282.1894	224787.3152	262071.458	224221.322	283457.6791
0.63_156.0767m/z	156.0767318	0.62635	pos	L-Histidine	21	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00135	57.7	95	M+H	C6H9N3O2	-0.13647562	682180.4397	704884.8527	649301.0756	734499.7849	677675.3984	623113.3151	613638.538	627985.186	589910.3685	627540.7463	628202.7238	777065.0812	778470.2292	715261.7648	761566.4812	778060.9367	713355.7449	774206.2092	814763.5458
7.27_354.2400n	337.2367338	7.271516667	pos	15(R)-PGF2α	36116	Unclassified	Unclassified	Unclassified			57.7	94.2	"M+H-H2O, M+Na, M+NH4"	C20H34O5	-1.699754104	50205.12337	52022.1974	49485.1153	74968.29774	26232.70767	59920.60867	37190.48663	55206.26149	38145.28766	31819.35146	50294.17468	61305.46348	51904.62582	51622.55207	55410.91311	49134.3086	54767.72685	71592.15604	69094.89848
7.47_352.2244n	335.2209764	7.472466667	pos	8-iso-PGE2	36377	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		57.6	93.9	"M+NH4, M+Na, M+H-H2O"	C20H32O5	-1.718093007	35343.93656	35645.07674	37207.50946	41253.87388	26281.70964	41462.69595	21961.18436	40944.67839	17821.87157	28348.88044	24266.07301	24070.67765	66203.11033	48387.30715	44532.22621	31355.06658	40114.95998	32905.86108	46023.32239
0.71_162.1122m/z	162.1122466	0.712233333	pos	L-Carnitine	34532	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	**	C00318	57.5	90.4	M+H	C7H15NO3	-1.385025507	1694254.986	1811040.147	1674555.197	1739003.908	1594774.312	1841981.235	1509400.565	2201188.706	2360595.885	1814434.191	1649491.058	2646418.919	1482686.593	1722629.146	1323825.342	1621488.76	1642553.897	1626429.93	1619421.728
4.98_526.3134m/z	526.3133902	4.982933333	pos	L-a-Lysophosphatidylserine	34531	Unclassified	Unclassified	Unclassified			57.5	93.3	M+H	C24H48NO9P	-1.056512862	70568.02307	73577.55011	86319.46599	85847.09296	84358.04438	77092.71221	78415.14402	77127.06984	68929.55975	74349.18597	69996.24712	77660.14715	90679.84741	78669.77621	74541.6824	78623.18093	87076.93031	100571.4431	85518.74546
1.08_164.0472n	182.0810056	1.079266667	pos	2-Hydroxycinnamic acid	HMDB0002641	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives	***	C01772	55.1	77.7	"M+H, M+NH4, M+H-H2O"	C9H8O3	-1.005732422	10203614.26	10680462.85	10107469.37	10629717.38	10349979.75	10440653.69	9911395.969	8680526.523	8721970.789	10257432.59	10095317.51	10436158.8	10982928.81	11418295.94	11488236.18	10636488.45	10527792.71	10755548.11	12225341.84
3.83_784.1501m/z	784.1500946	3.829583333	neg	FAD	HMDB0001248	"Nucleosides, nucleotides, and analogues"	Flavin nucleotides	Unclassified	***	C00016	57.4	88.9	M-H	C27H33N9O15P2	0.301113364	450232.8167	462500.9891	450794.2817	509662.2584	525239.4539	561160.1954	500877.2209	362688.9267	420096.2391	566089.3169	496337.5226	347711.8488	503464.3527	471983.1547	478681.1196	476022.6817	456778.0328	473589.35	471238.7681
2.98_383.1074n	384.1146563	2.979516667	pos	Succinyladenosine	HMDB0000912	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified	***		57.3	92.9	"M+H, M+Na"	C14H17N5O8	-0.868228882	235767.4171	240245.3089	231235.8032	169859.4176	216769.2146	413851.1014	148288.9129	221448.8761	274676.0037	327653.4051	208941.9576	171816.2373	212365.8417	268201.4757	222536.5044	186952.4603	204467.513	195939.4532	260063.9466
5.90_283.0610m/z	283.0609949	5.899433333	neg	Acacetin	48899	Phenylpropanoids and polyketides	Flavonoids	O-methylated flavonoids		C01470	57.3	90.9	M-H	C16H12O5	-0.711584983	279.9505341	325.6723811	229.2526074	0.000297236	112.506931	493.8635749	0.000297236	56.9433355	0.000297236	3876.281446	0.000297236	73.83334422	172.1901016	0.000297236	39.84185954	365.375396	172.049811	95.63765868	0.000297236
12.89_308.2939m/z	308.2939226	12.88735	pos	(-)-Dilophol	LMPR0104450002	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids			57.1	92.8	M+NH4	C20H34O	-2.992667284	30417.74265	21336.7379	29907.48476	31879.53621	31178.50633	27871.76665	31187.33132	33060.45309	31679.8174	32020.27385	33325.71569	23202.45348	27700.60685	27797.45677	26110.67575	27768.46344	31747.46365	34786.40157	31159.22452
9.56_334.2135n	335.220768	9.55945	pos	bicyclo-PGE2	3824	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		57.1	92.7	"M+H, M+Na"	C20H30O4	-2.746464481	20222.60741	20414.74495	19918.70778	23387.84539	17832.90935	24315.60913	22660.37127	12148.69483	8548.904856	14108.25223	13828.95415	24555.94827	23788.47013	32020.79726	25930.41444	20381.64732	24753.10065	17135.95429	22304.37431
12.62_264.2447n	282.2784416	12.62325	pos	"9,12,15-Octadecatrien-1-ol"	46167	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			44.9	29.1	"M+H, M+NH4, M+H-H2O"	C18H32O	-2.34828784	2898560.869	2637338.89	2962022.818	1851165.783	4196966.761	1505070.807	4620777.064	5022430.566	2345910.764	4456900.189	2520054.47	1505643.816	2467052.532	3887372.191	1479180.934	1435384.797	1796142.618	1802384.148	2170718.342
10.40_519.3319n	520.3392163	10.40266667	pos	"LysoPC(18:2(9Z,12Z))"	HMDB0010386	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	***		56.7	86.6	"M+H, M+K, M+Na"	C26H50NO7P	-1.05847672	1385688.971	1324008.681	1337776.281	1287969.045	1511684.94	1346939.982	1290975.158	1796143.898	2241938.492	1209845.869	1240955.303	2362260.18	1652503.187	1378492.325	1667696.924	1710748.047	1842529.186	1551749.294	1484895.621
10.28_501.2849n	502.2921591	10.27795	pos	"LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)"	62302	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		47.5	40.3	"M+H, M+K, M+Na"	C25H44NO7P	-1.310060129	3850052.414	3991704.343	4003964.953	4610063.831	4485733.171	4704208.523	4196396.038	2638473.013	3041053.938	3705705.649	3929132.035	3896607.383	5483852.867	4998970.058	5110293.867	5044020.635	4856656.326	4538535.65	5229453.774
0.64_174.1116n	175.1188842	0.643516667	pos	L-Arginine	13	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00062	56.6	90.5	"M+H, M+K"	C6H14N4O2	-0.390076134	1509908.827	1587089.144	1674059.256	1643349.646	1623925.748	1423754.42	1575563.757	1392870.203	1204245.023	1422583.008	1465230.581	1682939.558	1826731.248	1636385.279	1797530.831	1767381.367	1696380.37	1711750.928	2164802.287
0.70_147.0532n	148.0601941	0.695266667	pos	L-Glutamate	19	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00025	56.6	89.3	"M+H-H2O, M+H"	C5H9NO4	-0.020054681	3884414.687	4181844.954	3912352.591	4009838.988	3818701.46	4103891.314	3879527.522	3625110.67	3894506.254	4419594.186	3912597.066	4501678.201	3889655.012	4430345.129	3975418.019	4173016.583	4260099.446	3985695.218	4449333.294
10.68_540.3305m/z	540.3305076	10.67961667	neg	PC(16:0/0:0)	LMGP01050018	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	56.6	85.4	M+FA-H	C24H50NO7P	-0.373273417	4994188.817	4872548.639	5112699.679	5381804.188	5435440.977	5678082.853	5753181.199	4091456.56	5190085.373	4819578.403	5083617.964	5346091.31	5988562.985	5624285.168	5528631.854	5509657.82	5502345.126	5311483.434	5590059.761
7.26_354.2406n	353.2332755	7.260533333	neg	ent-Prostaglandin F2α	44829	Unclassified	Unclassified	Unclassified			56.6	86.7	"M-H, M+FA-H"	C20H34O5	-0.203948223	76428.12393	64189.07777	65435.85339	110256.6892	34975.73845	77071.32732	45876.71261	79250.47691	54361.9381	45766.72814	57769.70646	76458.3685	59791.17738	68027.56675	59420.14037	65756.34956	73003.75515	83340.91962	90049.12359
8.05_500.3035m/z	500.3035149	8.05	pos	"5β-CHOLANIC ACID-3α, 12α-DIOL N-(2-SULPHOETHYL)-AMIDE"	44688	Unclassified	Unclassified	Unclassified			56.6	94.7	M+H	C26H45NO6S	-1.042895087	6142.235035	6746.140157	6792.733649	2731.618911	6699.574355	6814.337672	1550.30825	0.000297236	326.3886654	7082.050111	3686.594521	0.000297236	3111.848692	4102.764687	47896.20187	4484.716848	11062.25928	17973.26967	1821.266369
11.10_554.3460m/z	554.3460168	11.1045	neg	1-O-(2-methoxy-4Z-hexadecenyl)-sn-glycero-3-phosphocholine	LMGP01060043	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			56.4	84.3	M+FA-H	C25H52NO7P	-0.639554994	3194231.39	3000930.802	3133017.528	3448686.339	3281687.952	3193735.095	3703744.153	3714107.052	3269314.694	3477911.793	3759439.112	3472784.333	3807999.378	3278378.282	2583407.951	3154003.267	3073087.907	3828598.957	3367809.338
0.63_132.0901n	133.0971734	0.62635	pos	L-Ornithine	45121	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00077	56.2	87.8	"M+H-H2O, M+H"	C5H12N2O2	1.67744041	208269.4636	206792.5485	195595.5155	245033.5591	158167.28	176396.2053	143703.5861	168280.7452	144258.2421	166197.901	184635.9101	297577.3675	220247.1217	201782.5609	222424.3971	242004.277	216144.6843	264310.823	246311.1093
4.27_376.1382n	421.136569	4.267633333	neg	Riboflavin	HMDB0000244	Organoheterocyclic compounds	Pteridines and derivatives	Alloxazines and isoalloxazines	***	C00255	56.2	85	"M-H, M+FA-H"	C17H20N4O6	-0.222006291	61736.85229	60647.59859	61605.11456	74618.90915	58174.69377	72465.14521	60601.92177	51165.73643	54081.16787	60223.81074	62263.91777	61975.58962	62238.1939	57794.47359	69233.67127	69705.71777	66792.19064	77543.75374	71479.73335
10.28_564.3305m/z	564.3304506	10.2751	neg	2-linoleoyl-sn-glycero-3-phosphocholine	HMDB0062711	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		56.1	81.7	M+FA-H	C26H50NO7P	-0.465597811	384890.6787	351366.2044	382414.9627	338342.3	432993.5205	355027.7956	414931.2789	564138.0682	681626.5317	297962.1149	296528.7752	592368.9704	441030.9118	341056.1781	450574.5875	384280.8303	485830.3116	383469.6509	448544.2494
11.57_568.3617m/z	568.3616566	11.57193333	neg	LysoPC(0:0/18:0)	HMDB0011128	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		56.1	82.6	M+FA-H	C26H54NO7P	-0.642044195	3280514.247	3217283.716	3083619.576	3087717.765	3116806.872	3161609.407	3679190.488	2586828.771	2951307.971	2702745.248	3323124.414	3333042.895	3480720.202	3547267.695	3389979.468	3434239.948	3672161.417	3146474.717	2995451.536
1.70_283.0683m/z	283.068348	1.696866667	neg	Xanthosine	HMDB0000299	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified	***	C01762	56	82.7	M-H	C10H12N4O6	-0.210100401	119406.9036	126030.601	122854.0047	106447.61	138743.8645	146054.917	98150.2734	94665.2472	87480.46777	147293.5953	90212.52952	141432.2382	128596.7238	116042.0815	146018.5154	126565.5736	133484.4419	129151.1509	159834.7442
10.36_477.2849n	478.2921886	10.36063333	pos	"PE(0:0/18:2(9Z,12Z))"	LMGP02050041	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			55.9	83.2	"M+H, M+Na"	C23H44NO7P	-1.314070912	235891.5647	250920.5863	239834.8312	237467.5002	286102.3281	246146.7301	232383.7336	269720.8271	349672.4477	216733.5446	209854.8176	467914.9193	313778.3762	254044.5602	284711.2592	291575.2232	317712.2593	257685.3991	265190.4413
8.09_335.2209m/z	335.2209169	8.08995	pos	(-)-Leucothol C	53657	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids			55.9	86.1	M+H	C20H30O4	-2.300752476	7501.418055	7711.520026	7225.424478	14493.86758	4053.131291	9147.342792	5017.751044	4481.880035	3145.240205	4597.164512	7646.584412	6987.294449	5925.315531	6023.127307	8727.251367	9297.067535	9558.201281	13894.05072	11369.66205
11.11_509.3474n	510.3547108	11.10751667	pos	LysoPC(17:0)	HMDB0012108	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	***	C04230	55.8	82	"M+H, M+Na, M+K"	C25H52NO7P	-1.384732677	10783106.95	10586224.04	11131732.92	12434106.56	10576900.7	10217117.11	12556162.73	12738194.37	10253362.67	10506213.72	12128115.58	10800069.71	12022913.94	10927409.7	8438397.072	9510766.01	10019053.24	12539961.16	11170111.62
12.54_304.2395n	305.2467208	12.54093333	pos	Arachidonic acid	HMDB0001043	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C00219	55.8	84.7	"M+H-H2O, M+H"	C20H32O2	-2.496093761	631100.9016	383949.3665	547326.001	571776.8735	692128.7147	775976.9213	576914.4541	544296.235	644071.8904	439662.3502	548883.86	632405.9869	452949.4248	382195.8645	656116.0188	660342.3983	479557.8863	427492.3547	574906.32
7.31_347.2211m/z	347.2211214	7.3126	pos	Corticosterone	HMDB0001547	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	***	C02140	55.8	85.3	M+H	C21H30O4	-1.630361279	10785.09493	11274.62082	10830.43311	13906.68023	10729.25991	18507.84318	12834.68736	3099.36978	4073.209068	12470.24191	13748.1836	3868.642451	11596.08933	16666.64275	10832.52778	13473.41101	15321.79424	14000.5015	3346.973606
11.05_468.3079m/z	468.3079165	11.04536667	pos	PE(17:0/0:0)	77696	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		55.7	83.6	M+H	C22H46NO7P	-1.175557286	38790.4574	37386.71782	37144.17449	44106.43474	32516.51683	35503.09416	39383.41975	30057.46276	35391.62368	28579.95002	33690.3078	42549.62356	36436.94968	36080.17193	43339.97814	45008.6921	45890.90496	40227.74183	32972.87026
0.70_184.0732m/z	184.073154	0.695266667	pos	Phosphocholine	3318	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	**	C00588	55.6	81.2	M+H	C5H14NO4P	-0.912476846	987821.2707	1103223.887	875589.3389	1047155.969	923496.1338	852699.3554	1297490.076	1247634.249	1222529.638	1053976.629	1106173.98	1625906.084	798320.8003	895595.0882	771209.5204	912129.7737	889929.529	685729.0923	851070.7961
10.26_526.2922m/z	526.2921993	10.25731667	pos	"LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	HMDB0011496	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		55.6	81.8	M+H	C27H44NO7P	-1.173585364	2039295.969	2206947.605	2190631.149	2708474.393	2575087.269	2743403.3	2207650.977	777717.2723	1045728.144	2286440.684	2195053.812	1564467.302	3467599.677	2870608.855	2835219.619	2626028.887	2621707.247	2661927.224	3256063.733
9.85_512.2992m/z	512.2991793	9.854016667	neg	PC(14:0/0:0)	LMGP01050012	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		55.6	79.3	M+FA-H	C22H46NO7P	-0.455910386	117126.0235	124222.9781	120738.6679	130382.4589	236124.9281	138390.6445	153583.9497	101389.0294	190095.2732	114993.3815	131606.8055	226699.7491	176326.2898	136059.345	129994.7872	100776.4329	123307.9107	103508.2595	147231.5013
1.34_293.1470n	294.1543199	1.335283333	pos	N-(1-Deoxy-1-fructosyl)isoleucine	HMDB0039780	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		55.5	83.6	"M+H, M+Na"	C12H23NO7	-1.39390862	172393.6311	184368.2766	174353.4334	164502.9726	135580.8981	189888.3602	148052.9141	425406.3252	455623.7106	152074.7824	127840.4329	182581.6733	123543.4611	145538.2442	110369.7032	123974.4664	125098.7452	123638.9625	103106.8447
10.08_498.3202m/z	498.3202498	10.08475	neg	PC(O-14:0/0:0)	LMGP01060007	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			55.4	78.1	M+FA-H	C22H48NO6P	0.269235144	172899.9484	161157.6888	160365.3605	197516.921	192203.1496	168137.8066	214030.9694	139343.4161	224181.8684	148498.8167	196451.9995	191893.9241	232836.3379	250620.2468	154601.1236	149442.2694	149929.5963	162498.4255	244496.4415
10.86_427.3654n	428.3726732	10.8603	pos	Stearoylcarnitine	HMDB0000848	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	***		55.4	83.7	"M+H, M+Na"	C25H49NO4	-1.783687939	448665.8072	437246.2904	459607.8125	378399.6375	465519.9172	513454.4337	521982.2539	640555.4714	575375.4293	390425.6929	375480.498	613722.1021	486224.0002	449193.5931	354773.1838	363597.9161	392680.1743	407471.8643	369954.9883
10.30_612.3304m/z	612.3303716	10.29658333	neg	"LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	HMDB0010404	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	55.3	78.3	M+FA-H	C30H50NO7P	-0.56548328	756970.3159	627066.3254	696727.7844	962312.7815	817275.9544	885596.257	882299.978	653969.9632	654643.1959	803192.2049	814406.5714	761903.5782	1035697.146	970609.8771	1002815.171	913687.9613	1024522.996	1003357.76	1082195.577
3.53_204.0889n	203.0816123	3.534466667	neg	L-Tryptophan	33	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives	**	C00078	55.3	84.5	"M-H, M+FA-H, 2M-H"	C11H12N2O2	-4.845223385	489929.782	491578.066	508068.633	515979.5074	496535.4051	494306.6807	532896.2311	371067.1653	367901.4766	498565.3708	468592.0796	475137.8682	513630.6184	534812.6026	502129.9387	482176.23	539810.4173	553835.5905	615078.4299
3.85_785.1567n	786.1640231	3.847383333	pos	Flavin adenine dinucleotide (FAD)	2302	Unclassified	Unclassified	Unclassified			55.3	81.6	"M+H, M+Na"	C27H33N9O15P2	-0.494146497	101932.0264	100542.8441	96085.86796	104642.9242	108172.768	114779.9131	101378.4833	80689.7309	87957.81505	120773.2051	103780.167	83803.11079	94856.02778	99794.60089	112708.7696	103439.4894	99049.84108	116946.886	100637.7602
4.98_204.0657m/z	204.0657013	4.976133333	neg	Indolelactic acid	71	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives		C02043	55.3	84.2	M-H	C11H11NO3	-4.464242411	4366.186304	4637.177184	4610.774066	1800.683487	7290.572824	5197.094509	6463.344831	665.726091	3177.276593	11951.60721	4031.221819	2586.623361	6398.469698	5601.328314	4522.229005	3346.648809	3547.805616	2028.329445	3212.779632
7.75_354.2400n	337.2366758	7.7503	pos	6α-PGI1	36180	Unclassified	Unclassified	Unclassified			55.3	83.1	"M+H-H2O, M+Na"	C20H34O5	-1.863491351	8098.673888	9074.978029	8230.637349	11695.10976	6216.972019	14234.09973	6090.720094	6192.787825	2444.58666	7477.172254	6648.042438	7137.827957	8141.4312	9836.824531	7797.052918	8700.493785	10935.12062	12133.35546	9925.185862
10.30_543.3319n	544.3391501	10.29878333	pos	"PC(20:4(5Z,8Z,11Z,14Z)/0:0)"	LMGP01050048	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	55.2	79.7	"M+H, M+Na, M+K"	C28H50NO7P	-1.133562838	3173855.806	3350694.591	3258115.99	3655842.394	3588780.185	3927717.892	3398929.095	3135964.794	3846422.247	3127476.974	3258195.271	4523568.774	3840579.865	3643205.394	4503227.352	4378449.079	4610987.735	4218045.262	3926969.869
10.90_521.3475n	522.3547369	10.90216667	pos	LysoPC(18:1(11Z))	HMDB0010385	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	***	C04230	55.2	79.7	"M+H, M+K, M+Na"	C26H52NO7P	-1.302726236	2958674.777	2866570.322	2939297.798	2840284.708	3795507.877	3686603.476	3005559.501	2782404.293	3233618.753	2923333.465	2639098.078	3325574.867	3414594.317	3152146.879	3249228.1	3128639.837	3308497.64	3000039.209	3316819.903
3.76_260.1370n	261.1443247	3.763516667	pos	gamma-Glutamylleucine	HMDB0011171	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		55.2	78.1	"M+H, M+Na"	C11H20N2O5	-0.666738631	173342.7845	184326.0436	176129.8286	156859.5289	191758.324	178318.9587	156456.8368	200362.6289	192688.7902	187985.3649	146569.2366	238772.3229	183098.7871	177559.0204	186250.0578	168639.0096	175373.9798	176639.2558	193404.8612
6.48_335.2209m/z	335.2209225	6.482266667	pos	Lathyrol	67448	Unclassified	Unclassified	Unclassified			55.2	83.3	M+H	C20H30O4	-2.284077662	15650.83003	15708.39757	15282.43179	26537.09853	8055.224761	21066.49995	9694.953879	12337.67216	5966.622185	9309.816785	13136.02242	13451.12096	13469.28321	13959.98304	19494.07811	15029.69528	22262.8931	26323.82927	21242.23555
7.62_353.2333m/z	353.2332584	7.61815	neg	15(R)-PGE1	36126	Unclassified	Unclassified	Unclassified			55.2	81.1	M-H	C20H34O5	-0.252233209	12968.92016	14541.80319	13873.53766	12001.71577	9890.767298	13979.29647	9489.694891	12490.319	6793.024994	10692.21043	10216.63821	8676.773121	23580.74482	18721.6777	19618.31386	12629.05803	13048.83012	12698.62459	13509.37774
0.63_129.0791n	147.1127676	0.62635	pos	L-Pipecolic acid	HMDB0000716	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00408	55.1	82.8	"M+H, M+NH4"	C6H11NO2	0.646232696	2229861.499	2247319.022	2143655.415	2402215.354	2148757.758	2027196.889	2063917.532	1845541.954	1618587.424	1995972.856	2098887.442	2413486.529	2503684.484	2341971.638	2447819.886	2399961.793	2349119.09	2540885.13	2698794.199
1.01_364.0650m/z	364.0650201	1.006716667	pos	Guanidylic acid (guanosine monophosphate)	98	Unclassified	Unclassified	Unclassified			55.1	81.5	M+H	C10H14N5O8P	-0.703575221	46897.38228	50946.13259	52189.98393	32610.84609	62872.85867	55625.52631	60655.4692	48230.37396	51213.58182	58537.60904	45710.11057	57760.70916	56857.90297	45504.23263	49476.90814	52259.6165	49895.3271	35637.35964	40523.8761
0.20_124.0869m/z	124.0868878	0.195533333	pos	L-Histidinol	HMDB0003431	Organic nitrogen compounds	Organonitrogen compounds	Amines	**	C00860	43.6	19.9	M+H-H2O	C6H11N3O	-0.254570656	9807973.196	9879761.306	9842028.945	10678552.37	10296052.7	10167631.1	10118835.22	10215334.4	10721643.46	10715501.5	11653029.57	9431449.704	9799811.407	9012145.346	9688681.558	10039950.29	9297238.91	9923351.942	9009551.848
4.22_334.1395m/z	334.1394872	4.224166667	pos	Glutamyltryptophan	HMDB0028830	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		55.1	80.6	M+H	C16H19N3O5	-0.780251476	13461.23662	13516.18717	14418.43344	11122.53238	14240.54463	15203.86483	13113.26799	13444.5965	16350.55734	14644.3956	11424.8171	18561.81481	14518.79442	14200.0277	13439.86378	12466.72993	12679.03078	13388.79311	16494.47168
7.49_352.2249n	351.2175934	7.4858	neg	ent-Prostaglandin E2	44830	Unclassified	Unclassified	Unclassified			55.1	79.3	"M-H, M+FA-H, M-H2O-H"	C20H32O5	-0.296071748	72176.22131	73315.71282	71665.81458	78751.5534	49534.28681	96328.91749	42382.87162	89531.4778	40229.35772	63285.54616	51446.0551	44305.75229	136825.7706	97615.98304	83000.67531	61177.80123	62509.28391	62411.48864	80469.98554
10.28_361.2729m/z	361.272865	10.27795	pos	O-Arachidonoyl Glycidol	44872	Unclassified	Unclassified	Unclassified			54.9	82.3	M+H	C23H36O3	-2.377313032	17732.12163	19617.84534	18753.68002	22950.07104	20025.13104	21803.65505	20333.93721	12338.00091	11401.63679	17342.05925	20517.42583	14628.12015	26533.64882	23765.6817	24881.23286	21646.08446	22748.26261	20823.2915	26169.3533
7.55_337.2366m/z	337.2366461	7.551466667	pos	Bicyclo Prostaglandin E1	45557	Unclassified	Unclassified	Unclassified			54.9	82	M+H	C20H32O4	-2.051654363	6324.647174	6507.396896	6141.032828	6952.833282	4871.61213	8798.444107	3947.998517	5297.090507	2555.853212	5973.623488	5144.336427	5081.157193	9374.360838	8452.512739	7543.64001	6460.110187	6938.235796	7939.797696	7508.561929
1.10_358.1128m/z	358.1128355	1.0977	pos	Cyclodopa glucoside	86537	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			54.8	81.4	M+H	C15H19NO9	-1.181925439	49796.81044	54540.78327	47581.05274	78694.4745	42142.99525	128406.0492	27324.55642	60377.55753	68467.54642	57493.28813	48406.92802	63381.66626	47390.62561	34186.05291	36350.12963	47746.82662	23079.0582	34656.19937	29693.42898
12.36_328.2396n	329.2466219	12.3611	pos	DHA	LMFA01030185	Lipids and lipid-like molecules	Steroids and steroid derivatives	Androstane steroids	**	C01227	54.8	79.5	"M+H-H2O, M+H"	C22H32O2	-2.0055998	865715.7143	633643.9895	622367.9015	1349512.671	1017340.388	654343.6349	771745.1873	961900.8906	739979.6555	701498.5964	805893.9365	844209.6001	994076.0806	747842.306	920880.7181	771626.3618	1119614.056	847484.2992	769794.8269
3.96_293.1144m/z	293.1143543	3.9553	neg	gamma-Glutamylphenylalanine	HMDB0000594	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			54.8	77.3	M-H	C14H18N2O5	0.200678592	24329.91925	24208.86764	24438.82697	21907.43925	27086.24726	25011.52177	21551.72479	30614.11146	32164.96657	26152.08173	22368.49397	29761.26558	24225.81563	22942.25071	23541.60529	21075.6979	23095.08544	23890.03018	25107.13325
11.23_627.5337m/z	627.5336783	11.23123333	pos	"DG(18:0/20:4(8Z,11Z,14Z,17Z)/0:0)"	HMDB0007171	Lipids and lipid-like molecules	Glycerolipids	Diradylglycerols	*		54.6	84.8	M+H-H2O	C41H72O5	-1.565315832	82007.62798	98636.39211	134335.722	149901.9739	132857.0893	132639.8143	104308.29	85136.66448	59872.73307	58565.15907	66161.17775	104502.6301	114495.0946	116690.5492	141154.0046	128147.7045	115365.3072	123278.1775	123205.1187
12.70_330.2553n	331.2624297	12.70366667	pos	Ethyl icosapentate	HMDB0039530	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*	C16184	54.6	78.8	"M+H-H2O, M+H"	C22H34O2	-1.809756763	104927.5624	58887.38844	80079.8003	100824.6513	78246.64339	78053.8268	89927.93998	115048.7992	140829.2674	59435.92249	86802.45614	113160.9371	69136.39185	64721.47345	73277.09822	82806.85732	96923.67516	116249.5981	90850.96621
10.95_319.2276m/z	319.2275642	10.9545	neg	"5,6-Epoxy-8,11,14-eicosatrienoic acid"	HMDB0002190	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C14768	54.4	76.3	M-H	C20H32O3	-0.950040438	240729.4817	233741.0957	240963.9415	207203.7646	161962.6134	304607.4215	180413.5986	330451.1647	161553.4579	213633.9199	193619.6363	422050.3257	166202.6362	160576.6605	255075.8372	288184.7461	315478.1499	365518.3561	326167.8679
6.71_359.2575m/z	359.2575131	6.706716667	pos	"(1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol"	57899	Lipids and lipid-like molecules	Sterol Lipids	Secosteroids			54.4	78.2	M+H	C23H34O3	-1.558475777	5680.203925	5681.427353	5615.066823	8756.794474	3740.984662	554.0826725	7488.061669	239.8233738	6563.745029	1981.77523	11157.04091	6966.469774	3399.387778	9843.656056	4971.288312	4969.282221	11715.58902	7432.999043	3138.065834
10.85_479.3009n	478.2936652	10.84901667	neg	PE(18:1(9Z)/0:0)	40778	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			54.3	73.7	"M-H, 2M-H"	C23H46NO7P	-0.516981826	858339.6973	737681.7463	770869.6599	752813.5551	1024935.67	971180.7376	752927.8514	781589.9925	827945.6845	760718.2892	719684.5751	813343.1666	1004162.012	832486.5933	782681.4982	825193.7018	847997.6649	785271.3577	823604.12
8.37_337.2367m/z	337.2367028	8.368816667	pos	PGB1	408	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*	C00959	54.3	80.6	M+H	C20H32O4	-1.883017107	2410.460252	1591.705296	2134.853732	2427.443769	1665.15613	4378.344742	2400.33943	450.600005	210.473194	1869.555027	1786.306008	1265.504862	1809.774329	970.6437176	1686.039653	2404.478254	2350.990776	3167.887986	3015.257009
1.06_167.0198m/z	167.0197981	1.063433333	neg	Uric acid	HMDB0000289	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	***	C00366	54.2	85.9	M-H	C5H4N4O3	-7.531291895	116097.487	116815.1973	93238.80264	88430.79764	119331.4396	135505.3351	69710.28722	169236.7083	138854.4751	125222.9386	51837.86891	242390.5783	78659.83174	63147.97161	112544.9171	91281.55745	115155.6143	128512.5929	117759.0499
10.78_620.2958n	603.2924759	10.7763	pos	1-Arachidonoylglycerophosphoinositol	HMDB0061690	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	***		54.2	74.8	"M+H-H2O, M+H, M+Na"	C29H49O12P	-0.644055912	295635.2502	269357.746	298615.4528	310213.2102	333707.3799	285408.0006	309491.1071	191422.5314	225266.6447	299908.7716	302147.7783	290669.8897	392380.0045	398506.8924	334675.8057	385054.1733	316957.5335	349882.2407	373598.4219
3.76_298.0968m/z	298.0968109	3.763516667	pos	5′-Deoxy-5′-<WBR>(methylthio)adenosine	3425	Unclassified	Unclassified	Unclassified	*		54.2	76.2	M+H	C11H15N5O3S	-0.087269967	29294.49549	30389.50345	28901.89614	34086.26122	23356.69453	29488.69545	35166.41399	46473.05131	43892.235	25419.72111	35889.84823	34623.04034	26654.50228	23842.63259	23994.83934	20529.24165	24498.86421	34363.25481	31375.64964
9.86_500.2766m/z	500.2766255	9.8569	pos	"LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))"	HMDB0011489	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		54.2	77.8	M+H	C25H42NO7P	-1.081996255	101093.2953	109792.7909	103407.3452	126144.2361	115339.5885	126372.0118	120666.6152	25023.17407	29441.35759	107004.1035	103605.3695	42744.40655	224867.2389	210974.0682	126466.6274	111060.3034	105063.2714	104061.1048	239583.3749
1.26_283.0914n	282.0840971	1.259833333	neg	Guanosine	87	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified	**	C00387	54.1	74.5	"M-H, M+FA-H"	C10H13N5O5	-1.041944583	135432.2305	152987.6101	161010.3952	231003.9628	151116.862	155334.035	213670.3912	182793.721	232456.8872	130950.7517	210867.9553	107120.8003	137448.6987	138144.9331	98045.57864	108066.2761	100456.1942	126320.018	88793.00739
7.75_353.2333m/z	353.2332821	7.749183333	neg	"13,14-dihydro-15-keto-PGE1"	36194	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			54.1	74.7	M-H	C20H34O5	-0.185311962	11695.57454	10584.23965	10679.8147	12555.61118	10663.27531	15745.81322	9976.760708	8119.363407	2492.524847	9243.954325	10341.5497	6904.537097	10720.58328	11472.254	10599.83175	9373.870656	11091.94046	14962.15322	13536.50402
8.67_379.2490m/z	379.2489925	8.6747	neg	20-ethyl-PGE2	36221	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			54.1	78.9	M-H	C22H36O5	-0.013940258	4479.062961	5310.693271	5126.495868	3002.978602	3488.537025	2382.998785	2510.903956	9727.134479	5494.29535	2435.735235	2652.140189	6025.434432	9059.935173	7859.606344	8134.643727	3695.239533	3589.433859	2955.413424	4285.370275
10.63_453.2848n	454.2920425	10.63191667	pos	LysoPE(16:0/0:0)	HMDB0011503	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	***		54	73	"M+H, M+Na, M+H-H2O"	C21H44NO7P	-1.705994533	1889239.666	1834491.23	1906102.104	2121813.311	1977899.994	2005186.11	1853365.205	1178629.726	1527279.804	1650736.568	1770250.806	1841108.987	2463713.576	2335501.253	1972321.172	1981418.233	2006546.992	1897219.969	2340743.394
4.27_559.2759m/z	559.275907	4.267633333	neg	Capsianoside V	HMDB0030737	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		54	75.8	M+FA-H	C26H42O10	-0.181593513	1209.659123	1124.273837	1234.317222	0.000297236	0.000297236	0.000297236	0.000297236	12678.52546	6261.586516	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	1639.562964	1708.994354	1292.789189	1769.53454	0.000297236
10.30_567.3316n	568.3389153	10.29878333	pos	"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	LMGP01050056	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			53.9	72.7	"M+H, M+Na, M+K"	C30H50NO7P	-1.499559486	2137441.609	2237173.926	2190922.839	2869000.482	2275172.39	2741092.619	2395327.43	1731298.726	1866850.655	2088088.25	2264369.672	2305851.661	3210300.721	2946017.365	3218032.656	2863853.565	2966081.162	2914117.242	3372944.099
10.70_296.2348n	295.2274791	10.70088333	neg	9(S)-HODE	45662	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	**	C14767	53.9	74.5	"M-H, M+FA-H"	C18H32O3	-1.314335455	48760.6008	55490.31993	50740.38088	44326.06169	25897.89156	38262.26572	25098.71557	122429.0825	58893.83998	28027.17213	35422.73101	80683.2212	36132.28396	36796.62621	48761.33799	39664.12682	48145.2001	57215.79117	47473.97253
4.28_376.1380n	377.1452857	4.284433333	pos	Riboflavin (Vitamin B2)	233	Unclassified	Unclassified	Unclassified			53.9	75.3	"M+H, M+Na"	C17H20N4O6	-0.731368406	116590.2643	121265.3821	118848.585	143525.7831	99380.38834	122881.3254	99633.96553	91638.05942	97417.75112	107280.1665	110447.512	131304.3599	111840.7854	104073.778	142092.6268	138332.4796	125246.084	155133.9498	131223.3842
0.73_132.0766m/z	132.0766263	0.729216667	pos	Creatine	7	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00300	53.8	74.3	M+H	C4H9N3O2	-0.966302107	1582940.09	1613299.021	1539973.946	1631645.664	1309166.284	1285580.104	1479397.124	2080282.211	2331978.738	1283176.646	1505311.613	2307018.954	1550113.308	1716262.59	1359388.607	1555404.31	1598939.535	1524320.843	1700935.897
12.35_328.2399n	327.2326501	12.35293333	neg	"(4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid"	64830	Unclassified	Unclassified	Unclassified			53.8	73.3	"M-H, M+FA-H, 2M-H"	C22H32O2	-0.925313766	751257.5915	694926.0069	798366.638	949900.3665	833391.1275	954054.0598	880125.5523	794964.0874	656047.8631	683004.8009	992313.613	844138.6424	901274.7066	974762.2634	931582.505	941380.748	897092.1262	952639.5146	1117501.293
0.46_291.1600m/z	291.1600426	0.457466667	neg	Acetylvalerenolic acid	HMDB0035687	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	*		53.7	72.3	M-H	C17H24O4	-0.479786284	66123.1406	66748.67397	67160.78231	63882.47342	67891.78092	63889.90226	66599.54132	67929.81279	67111.49647	69667.88208	69123.51698	65317.38118	67424.79982	69980.63746	68400.22612	69183.27687	64555.06066	67970.99251	64460.13285
1.34_267.0964n	268.103659	1.335283333	pos	Adenosine	86	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified	**	C00212	53.7	74.9	"M+H, M+Na"	C10H13N5O4	-1.390485385	168367.5959	174570.8665	165251.6192	258459.3994	123834.407	235925.2587	178821.8363	262491.0915	168128.5759	152113.885	132430.426	134229.5086	126925.8226	123468.9882	138043.6252	143018.7745	144302.227	180310.3468	157121.982
10.06_280.2037n	279.1963931	10.06331667	neg	12S-HHTrE	3831	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			53.7	72.3	"M-H, M+FA-H"	C17H28O3	-0.625461588	48006.95725	46078.15784	48306.34122	83382.84647	26611.83979	69128.22994	33873.96177	44396.69764	19153.76079	38477.9044	43588.74911	37234.66424	34440.65145	39039.86073	53118.37832	52186.63033	63600.61136	82233.71848	64620.34075
10.91_566.3462m/z	566.3461572	10.9122	neg	PC(18:1(9Z)/0:0)	LMGP01050032	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		53.7	69.9	M+FA-H	C26H52NO7P	-0.355473158	958003.5102	879493.6198	974596.48	899986.665	1255056.33	1169466.746	957011.2182	899122.7091	1085647.654	985837.5595	934181.6553	1027137.161	1153027.078	1025599.095	1028221.416	974694.3651	1037159.842	917606.9119	1073082.466
3.26_311.1226n	312.1299088	3.256383333	pos	"N2,N2-Dimethylguanosine"	HMDB0004824	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified	***		53.7	75.4	"M+H, M+Na"	C12H17N5O5	-1.080959778	18736.85337	19717.85406	19518.97427	21605.95072	16830.41848	16286.06554	11338.15679	16720.67971	20947.3607	10337.25936	12118.53194	47787.00764	20212.48091	19616.63731	22052.41801	21706.82918	17006.2122	20073.63797	20056.76442
5.72_498.2877m/z	498.2877384	5.721516667	pos	Tauroursocholic acid	LMST05040014	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		53.7	78.1	M+H-H2O	C26H45NO7S	-1.255913719	94942.97707	95045.61967	94602.26735	80687.41611	93142.27664	149401.5668	80795.61184	19683.31613	147185.1718	87806.70441	87039.5732	74017.73513	62792.31844	65502.77422	268851.1238	67250.9105	92930.63733	111041.2065	55032.82722
7.43_459.0934m/z	459.0934173	7.432483333	neg	Pinnatifinoside A	LMPK12110397	Lipids and lipid-like molecules	Polyketides	Flavonoids			53.7	71.7	M+FA-H	C21H18O9	0.319474771	9924.49097	10503.85335	14126.86765	11203.80418	10895.31659	12442.33002	12117.57997	10788.74312	10486.031	11860.27857	12212.20773	12266.7039	12840.4057	11718.17551	15953.07794	15085.41506	10661.41974	12514.20684	10118.7995
9.86_467.3007n	468.3079862	9.8569	pos	PC(0:0/14:0)	LMGP01050073	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			53.7	71.1	"M+H, M+Na"	C22H46NO7P	-1.026564579	223334.5419	237551.3311	230186.7128	232940.8853	303186.6643	226898.2209	247101.2434	191694.3206	328423.9525	199732.2815	220732.7613	430793.1758	331031.7562	284488.2084	262467.2587	200758.8018	219581.6743	198893.9136	294872.4174
10.84_530.3235m/z	530.3234786	10.83978333	pos	"LysoPE(22:4(7Z,10Z,13Z,16Z)/0:0)"	HMDB0011523	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	***		53.6	76.3	M+H	C27H48NO7P	-1.203993514	121968.3977	113168.6356	113177.127	106126.514	119433.6392	90183.88827	114312.3327	93785.68664	139983.604	83471.30262	107055.7681	208016.5464	130586.5676	125297.8303	125381.9984	127359.8044	122931.8022	127737.7988	119066.0265
2.16_328.1387m/z	328.1387396	2.15675	pos	N-(1-Deoxy-1-fructosyl)phenylalanine	HMDB0037846	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		53.6	73.5	M+H	C15H21NO7	-1.035845264	121861.3876	127162.7615	125583.7931	133307.7139	111644.1074	96461.23507	98551.18098	172633.0043	174389.4821	97966.59827	114826.1866	183295.0159	105044.6302	127883.7354	115874.1574	122799.9154	108813.5081	121890.856	120188.844
12.04_778.5603m/z	778.5602607	12.03886667	neg	PE(18:0/17:0)	LMGP02010625	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			53.5	71.1	M+FA-H	C40H80NO8P	-0.132705312	2155329.941	2011984.665	2247789.049	2047315.407	1897574.48	1658311.914	1826051.749	1778712.937	1814079.889	1899415.303	2115091.306	1925494.518	2069623.128	1638939.171	1674900.656	1700888.422	1026578.263	1392764.906	1762001.545
2.64_398.1411m/z	398.1410692	2.644783333	pos	Simmondsin	HMDB0030394	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			53.5	74.9	M+Na	C16H25NO9	-2.88646018	9556.851605	8597.670339	8693.533278	12846.48984	5493.46676	12999.02734	7573.48437	8422.223549	8018.033915	9477.870597	8036.715084	5727.103029	8071.307301	5016.151798	6749.065014	7827.263725	7736.960972	9715.784977	9373.819005
3.54_118.0653m/z	118.0652505	3.538083333	pos	Indole	HMDB0000738	Organoheterocyclic compounds	Indoles and derivatives	Indoles	***	C00463	53.4	71	M+H	C8H7N	1.066064392	27415.26076	27372.42368	27076.14929	28908.99652	26654.9333	25761.1503	25164.98861	23158.57194	22419.50342	27213.90405	27092.23445	27965.8934	28073.52515	29873.04737	30694.78308	30462.57154	27673.52496	27882.65145	28559.59282
4.94_336.1660m/z	336.1659811	4.9422	pos	Isopentenyl adenosine	64086	Unclassified	Unclassified	Unclassified			53.4	75	M+H	C15H21N5O4	-1.938026565	7474.158054	7814.624519	7924.917074	8684.718938	6224.42099	6415.574852	4376.759922	6824.556623	8570.184998	5002.608097	6359.904612	16589.82291	5864.299075	6364.852326	10120.86927	9230.822816	6780.668803	8881.492597	7421.636706
6.06_393.2241m/z	393.2240513	6.0604	pos	Thromboxane B2	HMDB0003252	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C05963	53.4	73.4	M+Na	C20H34O6	-1.912877789	28659.26609	27650.53429	27953.73508	49771.65871	9919.920047	26422.56799	15739.3481	49589.20958	21753.87956	10245.67565	14008.20073	54243.423	17688.59126	33579.31478	27117.77782	22676.17362	31412.88748	41154.22449	32253.57187
0.63_325.1604m/z	325.1604049	0.62635	pos	Galactosylhydroxylysine	HMDB0000600	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C05547	53.3	70.3	M+H	C12H24N2O8	-0.423332096	175957.6705	183912.6992	168901.5201	187903.0959	160902.0733	139098.6139	197491.7465	147041.8788	157648.3302	143113.7791	193769.2156	287463.1995	204519.0871	199439.4748	175331.8426	174558.4598	180305.6562	183311.4197	202078.3105
0.71_310.1127m/z	310.1127399	0.712233333	pos	N-Acetylneuraminic Acid	24101	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	*	C19910	53.3	74	M+H	C11H19NO9	-1.674837918	140700.5987	125297.2816	148294.1749	144037.9427	126154.6994	103324.4538	119864.4557	159605.2722	194068.7388	124445.7655	142918.5558	215409.6834	126006.7696	153720.5875	142069.7453	146552.5112	130991.164	134200.9258	147771.9903
11.50_295.2261m/z	295.2261155	11.50115	pos	13S-HOTrE(gamma)	35514	Lipids and lipid-like molecules	Fatty Acyls	Octadecanoids			53.3	73.7	M+H	C18H30O3	-2.228854216	12018.15849	11093.98238	12283.25475	13068.90311	10089.41622	9510.751902	9426.770747	8621.523012	7007.491298	7547.041471	14813.03377	13237.66593	9684.344454	9754.305669	15545.52349	18843.25175	19912.67228	20528.80654	10050.35243
4.61_283.0822m/z	283.0822178	4.6053	neg	p-Cresol glucuronide	HMDB0011686	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			53.3	69.6	M-H	C13H16O7	-0.382242561	21174.2511	22080.02834	21964.94865	68410.75171	62.2639565	301.7303334	29593.39145	146.6616678	7651.732932	344.2461317	45919.93977	37728.46308	167.8002539	123.2228418	29345.39424	38665.04877	45708.25637	42642.29492	80.1166699
1.03_664.1159m/z	664.115893	1.026666667	pos	Fenugreekine	HMDB0039421	Organoheterocyclic compounds	Pyridines and derivatives	Unclassified			53.2	78.9	M+H	C21H27N7O14P2	-0.761954174	14881.9805	18863.64526	17312.95032	21242.11782	16121.5063	20215.34892	23456.19276	8870.527004	11393.06135	24456.80416	18322.86129	9367.511537	19960.66945	21253.39474	20947.28737	15586.70326	15383.16787	14602.28969	14101.07831
1.06_132.0245n	150.0581765	1.062216667	pos	THTC	68817	Unclassified	Unclassified	Unclassified			53.2	71.7	"M+H, M+NH4"	C5H8O2S	0.104179741	4014755.012	4059133.754	3946216.265	4226272.299	4095406.072	3644264.889	3751707.355	3141732.799	3134639.077	3544389.279	4041860.638	3916644.011	4170259.876	4201572.675	4606862.981	4570856.109	4019358.635	4164212.747	4642216.953
5.33_705.3341m/z	705.3340928	5.329783333	neg	Capsianoside I	HMDB0002318	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		53.2	72.2	M+FA-H	C32H52O14	0.277973498	3093.134422	3618.368617	2558.122292	195.2954182	0.000297236	497.3271676	0.000297236	19260.27054	8461.124741	353.8301979	132.9886592	0.000297236	334.7174927	0.000297236	7217.198529	4072.14285	3499.884983	4083.872036	351.4667022
6.06_352.2242n	353.2316424	6.0604	pos	"13,14-Dihydro-15-keto-PGE2"	2311	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*	C04671	53.2	72.6	"M+H-H2O, M+H"	C20H32O5	-2.10054396	69580.39634	73763.75746	69677.43538	127430.2968	26621.7643	70420.63243	40775.24821	126956.0671	57845.71755	27202.01692	38242.86417	138995.9972	48326.6803	86572.68052	71551.71948	60697.8336	82176.69833	108777.8135	84791.68619
8.83_373.2733m/z	373.2732621	8.827783333	pos	"3α-Hydroxy-5β-chola-8,14-dien-24-oic Acid"	42882	Unclassified	Unclassified	Unclassified			53.2	70.9	M+H	C24H36O3	-1.233892198	2729.114704	2894.275405	2566.357752	2506.06269	667.5478781	1018.417973	698.6836539	0.000297236	874.9433334	11540.00093	7862.977944	261.0546413	290.0595006	548.5826578	8897.879404	604.12514	2309.741378	4078.396998	2403.052126
0.82_280.1387m/z	280.1386828	0.816033333	pos	N-(1-Deoxy-1-fructosyl)valine	HMDB0037844	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		53.1	70.7	M+H	C11H21NO7	-1.417261677	88163.21531	91646.81688	84827.41491	96149.33948	73151.94766	72801.61353	71999.47268	139745.8091	138388.2414	72425.61248	79245.80328	128589.5823	62865.91694	92080.5044	86131.86039	77965.02556	79107.39487	78813.72525	89240.67022
1.08_318.1191m/z	318.119142	1.079266667	pos	"(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxybenzoate"	HMDB0125107	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives			53.1	71.4	M+NH4	C13H16O8	2.662591284	3433200.518	3424224.122	3363894.957	3573697.876	3345544.088	3756659.234	3257535.197	2879747.199	2846016.352	3478422.391	3275097.009	3359709.465	3588534.012	3453764.479	3636527.374	3300259.952	3561989.559	3245768.682	4257488.694
10.40_564.3306m/z	564.3305873	10.40193333	neg	"PC(18:2(2E,4E)/0:0)"	LMGP01050034	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			53.1	66.5	M+FA-H	C26H50NO7P	-0.202441543	485806.8325	464759.0193	467535.3049	449752.7905	530610.3867	474395.8107	532723.2971	693770.0823	801758.8066	445213.7753	464303.7747	797653.2217	582393.9248	503545.2544	577424.5109	526308.7073	650556.9611	555820.7516	519196.532
10.86_479.3005n	480.3077971	10.8603	pos	LysoPE(18:1(11Z)/0:0)	HMDB0011505	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	***		53.1	68.8	"M+H, M+Na, M+H-H2O"	C23H46NO7P	-1.395252297	1693195.227	1639996.35	1717553.45	1618646.73	2167514.555	2066022.484	1575218.539	1619575.965	1687306.008	1644819.511	1469281.709	1864221.8	2009907.635	1821526.53	1826934.806	1847827.899	1871532.622	1735686.333	1788490.746
10.93_526.3513m/z	526.3513128	10.93288333	neg	PC(O-16:0/0:0)	LMGP01060010	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			53.1	66.5	M+FA-H	C24H52NO6P	-0.239132259	516191.4612	476823.4739	515081.3732	563723.0496	552094.8942	573615.0723	581198.7493	422542.412	508115.1235	473931.4976	582689.0521	441460.8754	618925.9473	611266.9505	520681.821	509391.9875	529394.2476	548411.2267	617522.3128
10.46_316.2033n	317.2106141	10.4628	pos	"15-deoxy-Δ12,14-Prostaglandin A2"	45404	Unclassified	Unclassified	Unclassified			53	72.4	"M+H, M+Na"	C20H28O3	-1.603733231	5953.261102	5258.383446	5159.892737	4589.330059	2934.435728	3713.211978	3034.600199	11754.3019	6331.380701	2027.086358	3157.339269	30146.3198	2507.293395	3383.431425	3099.039768	3614.386983	4390.851459	3553.730746	4137.330866
13.17_675.5419m/z	675.5419177	13.16601667	pos	"1-(O-alpha-D-glucopyranosyl)-29-keto-(1,3R,31R)-dotriacontanetriol"	LMFA13010030	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides			53	72.4	M+H	C38H74O9	2.012251873	1112955.046	1106711.948	1134623.193	1095836.957	1080983.762	1164284.37	1196904.092	1226788.168	959748.6209	1066218.073	930220.1512	1196639.907	1351877.339	1472388.029	1341744.642	1007230.425	914767.3546	936117.807	861575.7318
0.76_348.0699m/z	348.069905	0.764	pos	Adenosine 3'-monophosphate	63401	"Nucleosides, nucleotides, and analogues"	Ribonucleoside 3'-phosphates	Unclassified	**	C01367	52.9	70.1	M+H	C10H14N5O7P	-1.313653939	379912.1484	410642.014	369742.8391	284864.6621	468093.7125	428583.0993	476104.3736	319530.7981	326498.4108	492023.3151	415628.295	312216.0249	398261.2852	393234.2792	427013.0439	402249.1576	380174.2372	321400.4064	352298.6886
1.06_496.2032m/z	496.2032392	1.062216667	pos	"Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate"	HMDB0032134	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			52.9	70.7	M+NH4	C20H30O13	1.615845732	314341.7388	334157.4103	312277.5011	374358.4856	581134.9309	503077.821	289067.4768	117549.8743	157808.2306	431566.2891	317456.3052	443108.5017	330698.9675	294895.3221	297064.9638	334607.197	326110.1229	322883.4822	249848.71
10.98_570.3522m/z	570.3522446	10.98355	pos	"PC(O-18:2(9Z,12Z)/2:0)"	LMGP01020158	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			52.9	74.4	M+Na	C28H54NO7P	-1.398993505	13625.76651	8570.512964	13622.86994	14617.82009	11038.4713	7162.657188	14540.94375	13254.57579	15558.04667	6191.632443	14384.59812	12364.09719	11998.86939	12795.56119	16832.82042	15171.69428	17330.26609	15942.11203	16438.20037
11.13_547.3628n	548.3701175	11.12778333	pos	"LysoPC(20:2(11Z,14Z))"	HMDB0010392	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	***	C04230	52.9	70.1	"M+H, M+Na"	C28H54NO7P	-1.733081142	367487.7565	363133.788	364448.0797	419174.7857	251315.3078	226276.7208	451246.7042	351997.0151	416618.0521	184775.1062	399813.0915	482459.5863	391357.4846	392371.8764	501056.2884	424958.9335	473499.0229	408689.4851	391386.8242
7.75_352.2241n	335.2208573	7.7503	pos	5-trans Prostaglandin D2	45419	Unclassified	Unclassified	Unclassified			52.9	70.3	"M+H-H2O, M+Na"	C20H32O5	-2.352366074	5069.516751	5405.020993	5592.700258	6963.057295	2668.232105	5233.578548	3423.015394	8210.551385	4244.810847	1945.603915	3545.802153	17253.20478	3229.663639	4516.814048	3682.429025	5001.824672	4900.981249	6243.911446	4939.456834
10.07_263.2001m/z	263.2001009	10.06806667	pos	12S-HHT	HMDB0012535	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*	C20388	52.8	68.6	M+H-H2O	C17H28O3	-1.626055561	84620.92219	84184.62755	89465.4382	152038.3256	48348.52091	122555.2674	58097.82595	77759.353	32016.2716	64791.02593	73381.85477	72407.19663	63596.93605	76271.08475	102037.3536	89340.58977	127135.8737	140327.5212	116458.9248
8.75_440.2766m/z	440.2765645	8.747183333	pos	PC(12:0/0:0)	LMGP01050009	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			52.8	69.4	M+H	C20H42NO7P	-1.368838966	7106.774604	7401.138212	6546.225098	5666.166032	10975.1304	6009.903432	5690.676268	6608.473654	11124.4094	4390.621684	5264.728704	15847.87242	9082.519812	5656.354466	6124.169759	5310.597023	6382.836499	4312.430715	8223.364405
0.70_258.1098m/z	258.1097647	0.695266667	pos	Glycerophosphocholine	HMDB0000086	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	***	C00670	52.7	66.5	M+H	C8H20NO6P	-1.305874734	1867038.624	2095476.089	1539784.147	705813.7581	3227171.363	2067896.848	2039468.314	1496933.338	1289309.374	2992603.717	801286.1211	563503.0038	2948945.294	2220336.225	3284630.287	967157.1378	2227276.075	554674.1464	1034438.73
2.33_342.1181m/z	342.118064	2.33315	pos	Diethylpropion(metabolite VIII-glucuronide)	2023	Unclassified	Unclassified	Unclassified			52.7	67.8	M+H	C15H19NO8	-0.818043148	72623.30506	73639.55965	74749.32517	92179.17862	61037.02684	178411.3229	38518.3694	108870.0921	127128.6251	82443.23848	63958.38304	87952.12229	66996.32976	46935.92071	51778.26588	63658.1238	38670.62578	53470.22681	41213.62522
3.52_367.1497m/z	367.149745	3.5192	pos	"1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate"	HMDB0012492	Alkaloids and derivatives	Harmala alkaloids	Unclassified			52.7	71.5	M+H	C17H22N2O7	-0.634943661	19138.05747	19546.84844	19201.81261	22641.3688	18336.98316	14361.48056	12994.30062	17627.55957	21209.9787	15377.94627	20161.61475	30393.04878	17574.76368	22276.20256	22251.6875	21246.89716	18951.60068	22589.02407	21654.35214
3.54_146.0599m/z	146.0599431	3.538083333	pos	4-formyl Indole	96392	Unclassified	Unclassified	Unclassified			52.7	66.8	M+H	C9H7NO	-0.669717717	32843.52676	32541.8978	34298.87891	34784.0758	32600.81754	33436.18568	31220.10199	24947.54215	24621.52879	31838.01935	32574.8441	35224.18544	35132.36073	37562.04854	37256.22391	33520.02922	36496.02436	36217.60028	38072.07551
11.48_481.3161n	482.3233973	11.48118333	pos	LysoPE(18:0/0:0)	HMDB0011130	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	***		56.7	86.3	"M+H, M+Na, M+H-H2O"	C23H48NO7P	-1.492981298	4832888.64	4730881.82	4868228.997	5753833.978	4935374.907	4737625.158	4891699.598	3118630.324	3811536.124	3721681.622	4679445.138	5047105.83	6178539.287	5763582.734	4861731.427	5000773.264	5111831.382	4838653.497	5845664.614
10.18_330.3361m/z	330.3360929	10.17525	pos	"N,N-dimethyl-Safingol"	53956	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			52.6	68.7	M+H	C20H43NO2	-1.710051275	58339.67807	59579.09043	64803.6422	58691.10469	83452.7803	43869.73536	47902.96787	57697.6814	52082.05362	47790.4484	54827.21581	57902.2199	55950.08503	48863.28224	49001.59798	57148.64246	49766.39136	82067.83514	45187.65898
3.33_460.1936m/z	460.1936386	3.334066667	pos	5-Methyltetrahydrofolic acid	HMDB0001396	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives	***	C00440	52.6	70.1	M+H	C20H25N7O6	-0.586641848	6060.99488	6677.445692	5872.827694	5515.320008	5027.949926	21593.40258	9102.533457	1067.623524	1142.136037	28127.39023	11112.20281	195.1455682	4303.320698	3393.054149	3497.928969	3445.488943	4164.850238	4846.035017	7219.496389
7.27_318.2189n	319.226226	7.271516667	pos	Yucalexin P17	HMDB0036752	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		52.6	69.3	"M+H-H2O, M+H"	C20H30O3	-1.750284523	17020.45492	17300.3767	16664.56768	24602.36475	9088.173512	20399.3047	11601.99899	18693.66368	12582.66357	11124.51414	17072.83447	20976.86553	17565.48946	17648.68661	18316.36459	17305.52642	18265.35542	24861.46575	23153.10281
1.06_152.0320n	151.0247422	1.063433333	neg	Xanthine	HMDB0000292	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	***	C00385	52.5	77.3	"M-H, 2M-H"	C5H4N4O2	-9.253034522	1564477.547	1627967.889	1380092.596	1368745.182	1582390.552	1815104.719	1323958.164	1447347.572	1239612.915	1613646.12	1198489.345	1971879.5	1446587.054	1367915.619	1826662.426	1846846.751	1756985.709	1895900.208	1635716.352
2.75_219.1098n	218.1025698	2.754933333	neg	Pantothenic acid	HMDB0000210	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols	***	C00864	52.5	67.4	"M-H, 2M-H"	C9H17NO5	-3.771504782	619488.8563	616028.2271	619699.3872	738497.4347	560954.026	684421.4074	748512.6687	537965.3712	580043.8603	653562.1472	678701.8714	618277.3604	769137.9911	653902.1131	559841.5851	579890.3223	554581.3672	691206.4436	611476.0339
3.79_222.0765m/z	222.0764981	3.786533333	neg	Acetyl-L-tyrosine	5827	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C01657	52.5	69.8	M-H	C11H13NO4	-3.063299815	2072.476595	2358.169876	2042.208164	2832.585416	2134.746977	2810.574853	2287.546238	1225.945338	1133.569722	2215.652813	1791.424456	1500.392397	2561.679499	2399.262718	2339.381343	2116.8693	2467.324781	2510.093148	3014.96499
7.95_373.2732m/z	373.2731801	7.94965	pos	"3α-Hydroxy-5β-chola-7,9(11)-dien-24-oic Acid"	42909	Unclassified	Unclassified	Unclassified			52.5	68.1	M+H	C24H36O3	-1.454172529	2977.05781	2901.99801	2906.096705	3701.301448	2048.04066	673.6642235	1361.203241	0.000297236	371.3279859	6679.206736	2346.378125	89.69577052	3429.427555	2371.498079	8336.334401	1503.182371	4649.861508	4994.851261	6995.280981
0.88_244.0692n	289.067785	0.877566667	neg	Uridine	90	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Unclassified	**	C00299	52.4	65	"M-H, M+FA-H"	C9H12N2O6	-1.47778005	368589.8824	373429.6853	366609.4165	410569.4145	365894.9765	327934.9042	382709.1459	462279.9665	569843.9231	329831.7214	422604.1018	414939.7139	322208.5063	303578.1501	305003.3295	293987.2864	283288.3864	333943.0426	377723.5703
1.06_113.0348m/z	113.0347566	1.062216667	pos	Uracil	258	Organoheterocyclic compounds	Diazines	Pyrimidines and pyrimidine derivatives	**	C00106	52.4	66.3	M+H	C4H4N2O2	1.810553634	180063.2784	194301.2374	196243.2531	181423.9358	172437.4303	189645.3184	180811.7075	200870.1122	243443.5795	166053.4503	187680.3177	214585.7493	176281.7219	196849.1363	191595.8858	187161.1909	191908.0919	171647.3519	188898.7249
3.56_334.1394m/z	334.1394008	3.556983333	pos	Tryptophyl-Glutamate	HMDB0029082	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			52.4	69.6	M+H	C16H19N3O5	-1.039544354	9094.73737	9205.460631	8340.872881	4950.591805	14495.54466	14156.02576	13827.51713	5345.857884	3810.694868	11298.21733	9730.148147	2459.546987	10318.86708	9423.668952	11236.08427	6728.227533	9600.267324	6121.937511	9647.275903
3.66_199.0399n	200.0471643	3.65905	pos	p-CHLOROPHENYLALANINE	44308	Phenylpropanoids and polyketides	2-arylbenzofuran flavonoids	Unclassified			52.4	88.1	"M+H, M+Na"	C9H10ClNO2	-0.594964378	3388713.722	3728215.947	3552592.697	3900078.756	3590938.582	3309044.329	3054564.633	3417522.174	3137677.852	3595071.488	3524369.287	3409453.939	3721078.549	3713164.236	4052516.334	4228687.223	3845486.506	3428601.149	3522222.522
5.70_593.3345m/z	593.3345262	5.695966667	neg	L-Urobilin	HMDB0004159	Unclassified	Unclassified	Unclassified			52.4	70.8	M-H	C33H46N4O6	0.113507793	1232.245432	1521.308439	1224.40839	1534.301923	1048.324106	361.6735996	1331.174816	0.000297236	0.000297236	407.2194888	584.0012948	0.000297236	0.000297236	0.000297236	6537.056714	929.7687728	866.6608773	5675.36971	901.7792471
5.81_353.0335m/z	353.0335347	5.813733333	neg	Dihydronaringenin-O-sulphate	HMDB0059996	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Chalcones and dihydrochalcones			52.4	69.6	M-H	C15H14O8S	-0.359571493	3346.593801	3927.373017	3939.426263	739.283027	918.3348939	33629.02331	930.9815336	325.4214158	371.3680769	20683.64527	808.1745018	217.9215343	1939.232122	740.0664159	1115.576159	2476.657658	5157.488236	3465.027717	541.8028667
11.77_549.3787n	550.3860232	11.76966667	pos	LysoPC(20:1(11Z))	61701	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	52.3	66.6	"M+H, M+Na"	C28H56NO7P	-1.261340823	168487.268	160025.9849	168627.6345	165105.7839	164832.9789	198961.7666	183150.8864	113089.6719	126230.838	165036.6165	166460.7718	140764.1413	184064.9585	195586.4113	192902.0153	184750.8942	178813.231	165439.8573	187432.445
11.97_317.2468m/z	317.2467915	11.9722	pos	Eicosapentaenoic Acid methyl ester	96532	Unclassified	Unclassified	Unclassified			52.3	69.1	M+H	C21H32O2	-2.261572314	9358.460441	7807.103174	9353.195898	7570.9754	8796.864353	21616.03501	8787.690785	3787.471873	3109.952321	6374.314263	5760.073134	9365.687672	10493.38511	6146.125763	11281.83782	14207.79504	16573.23462	19285.79456	19298.49621
2.74_493.1473m/z	493.1473376	2.743033333	pos	alpha-CEHC glucuronide	HMDB0062445	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			52.3	69.1	M+K	C22H30O10	0.621793089	11976.08156	11532.2951	12189.77436	15350.86382	8568.079097	11828.69089	14996.95225	7715.603591	8968.805502	11216.51523	11374.14695	12337.35709	17551.19807	13015.45571	9713.197349	11058.09288	7694.659622	12447.88228	10211.9376
3.72_295.1288m/z	295.1288493	3.72035	pos	Hydroxyprolyl-Tyrosine	85781	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			52.3	66.4	M+H	C14H18N2O5	0.003855054	2502.950868	2535.56789	2472.042209	2210.026474	3185.571745	2604.159649	3424.330438	1542.167567	1270.564106	3478.864091	2242.427036	1625.187036	3017.763167	3321.450972	3087.754152	2938.984585	2606.063953	1962.331568	3614.078509
8.96_334.2142n	333.2071231	8.964533333	neg	8-iso Prostaglandin A2	45403	Unclassified	Unclassified	Unclassified			52.3	66.3	"M-H2O-H, M-H"	C20H30O4	-0.610290167	19887.62054	19345.50604	21571.12463	17951.30158	19132.44034	22798.33197	12162.17533	32720.79303	14429.83537	25687.75261	17512.66628	25940.03195	35417.69697	27334.03198	21364.98381	16990.55857	20506.05471	13880.90134	20975.54436
9.79_299.2819n	300.2891857	9.7934	pos	Sphingosine	HMDB0000252	Organic nitrogen compounds	Organonitrogen compounds	Amines	***	C00319	52.3	66.7	"M+H-H2O, M+H"	C18H37NO2	-1.853843022	134301.6042	148384.0551	140261.5779	150735.7504	142070.1607	126541.9111	130475.5199	151925.6563	127374.0739	80664.11158	127796.2535	219374.4538	155005.0621	163713.6507	133868.3577	138256.3601	115136.1013	135708.7792	142396.5015
9.88_372.3102m/z	372.3102077	9.87715	pos	Tetradecanoylcarnitine	HMDB0005066	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	***		52.3	67.4	M+H	C21H41NO4	-1.689982396	72592.66135	81551.14372	75168.56151	88609.50144	85457.8608	71710.37577	90464.16542	100059.9362	149385.1642	40757.15034	81408.3314	151474.4396	92769.48248	83643.63055	83243.19567	70343.01284	51508.21777	58715.30721	78779.26074
0.70_104.1073m/z	104.1072602	0.695266667	pos	Choline	56	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	**	C00114	52.2	65.3	M+H	C5H13NO	2.616343309	4773492.071	5454423.271	4658245.666	4931749.061	5427195.918	5177382.124	4380758.645	4304080.773	4624135.688	5178195.896	4165929.115	4942590.894	5809198.751	5565216.284	6090080.774	5542303.966	4871414.719	5059005.816	4734837.779
0.73_152.0705m/z	152.0704552	0.729216667	pos	(R)-Mandelamide	66622	Unclassified	Unclassified	Unclassified			52.2	65.6	M+H	C8H9NO2	-0.991085175	4847.653029	3880.00077	4046.047222	2102.765454	2813.233725	997.9058166	2465.602935	1024.639108	38471.92768	1964.370085	2683.676296	18966.7578	1314.395273	823.7357032	857.3080831	1732.744085	626.2892468	657.58693	0.000297236
10.87_438.2998m/z	438.2998347	10.87058333	neg	PE(O-16:0/0:0)	LMGP02060002	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			52.2	66.6	M-H	C21H46NO6P	1.903591743	30781.38479	25707.64745	27456.57724	30795.5747	31383.45228	26171.85933	32339.0666	13512.96889	27023.93497	19722.53394	32031.51586	24739.407	43403.86301	45525.147	22630.86903	26901.76853	23945.45179	28400.22255	36676.32508
11.91_325.2171m/z	325.2170929	11.91175	neg	"4,5-dehydro Docosahexaenoic Acid"	62961	Unclassified	Unclassified	Unclassified			52.2	68.9	M-H	C22H30O2	-0.646275069	1860.411418	1404.247336	1262.376857	1694.466849	2433.437201	3118.62645	1286.088158	1733.256771	1382.075441	3008.815292	1630.966313	2152.190112	3702.563447	2985.190094	2271.91862	1276.378506	1775.854637	2237.242732	3626.570405
5.17_559.2760m/z	559.27598	5.168066667	neg	Cinncassiol D1 glucoside	HMDB0034677	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		52.2	65.3	M+FA-H	C26H42O10	-0.039679212	1152.061021	1195.224706	1131.620316	0.000297236	0.000297236	0.000297236	0.000297236	13468.58977	7486.396476	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	1043.056197	956.0613392	482.0674632	1223.746904	0.000297236
6.07_369.2281m/z	369.2280762	6.0661	neg	6-Keto-PGF1α	2558	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C05961	52.2	65.6	M-H	C20H34O6	-0.502831929	97809.85834	94495.48725	97972.21521	174838.7848	45549.26211	117283.5988	71035.09657	156437.5658	73890.63978	42447.80133	67666.37859	157780.1989	70152.94651	118078.4015	94349.16658	106826.0671	109117.7979	134277.5198	117498.0648
10.55_425.3497n	426.3569837	10.5469	pos	Oleoylcarnitine	HMDB0005065	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	***		52.1	67.2	"M+H, M+Na"	C25H47NO4	-1.884750068	194212.897	211751.4139	194055.2254	172676.6839	225010.1765	267007.3846	186993.292	283480.8662	310787.3918	187977.8529	161428.2608	305159.8727	236757.2836	181540.7798	169417.9752	173932.0422	185503.7342	185862.3399	160255.4701
9.90_564.3053m/z	564.3053499	9.898883333	pos	"LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))"	HMDB0010397	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	52.1	67.3	M+Na	C28H48NO7P	-1.312183069	5494.39561	6140.494692	5294.982521	5574.41364	5318.040901	6449.315982	7508.678951	1471.964739	1400.029644	5722.680844	5390.410742	3970.781381	13557.84111	11645.28092	8128.369795	5329.226122	7356.738931	6226.727066	12773.38896
1.77_297.1071n	298.1143346	1.768516667	pos	Nelarabine	85183	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			52	65.6	"M+H, M+Na, M+K"	C11H15N5O5	-0.876480594	75542.66275	80226.11847	78565.08567	90342.24894	60525.7815	58510.92394	54646.51534	80287.9331	77594.47309	49690.5891	57448.14499	132425.7006	66135.8879	65139.09598	99580.78115	74772.88988	68867.67105	83275.26641	84944.12839
10.24_448.3413m/z	448.3413465	10.23813333	pos	Vaccenyl carnitine	HMDB0006351	Unclassified	Unclassified	Unclassified	*		52	69.2	M+Na	C25H47NO4	3.801248351	264052.5864	313976.1046	280589.79	284444.1212	284184.4879	433841.8613	254063.9169	436628.2668	458228.144	312465.2576	261794.1264	430522.6268	288210.7841	272621.277	251206.9027	245867.6389	280861.0377	270234.686	244846.6037
3.83_191.0616n	192.0688293	3.82585	pos	N-Acetyl-DL-methionine	62466	Unclassified	Unclassified	Unclassified			52	66.7	"M+H, M+Na"	C7H13NO3S	-0.321398834	11861.47563	13513.27488	13092.13323	7497.865628	22670.84608	12125.01296	18094.03401	7784.774083	7071.004357	22854.81893	10088.2828	7922.638877	13141.28729	15332.53367	14986.27637	11762.03931	11800.83367	7793.153885	11448.35984
3.85_439.1014m/z	439.1013547	3.847383333	pos	"Riboflavin cyclic-4',5'-phosphate"	HMDB0059614	Organoheterocyclic compounds	Pteridines and derivatives	Alloxazines and isoalloxazines		C16071	52	64.5	M+H	C17H19N4O8P	0.064145134	43358.51284	39011.05837	40213.69646	42726.5344	43862.13177	48576.95316	39609.72259	32344.57915	36791.14382	50346.55924	42323.73088	34487.61451	41076.90003	42919.57633	45315.12875	43017.17215	41525.76749	46689.68676	42700.65642
7.49_316.2032n	317.2106222	7.492083333	pos	19-Hydroky-all-trans-retinoic acid	41519	Unclassified	Unclassified	Unclassified			52	63.5	"M+H-H2O, M+H"	C20H28O3	-1.912549478	13947.61443	13383.01641	13894.11372	14125.40246	8926.706259	15015.2376	7927.2943	14054.08754	6155.278283	9995.216595	8542.372203	8692.993399	23875.30534	17966.73904	16952.5006	11557.54883	14412.75066	11458.66459	16112.82684
9.11_221.1539m/z	221.1538542	9.111633333	neg	"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid"	LMFA02010016	Lipids and lipid-like molecules	Fatty Acyls	Octadecanoids			52	67.2	M-H2O-H	C14H24O3	-3.536236116	4100.001577	4736.944921	4224.435533	3203.080171	4923.370632	2985.322625	5002.584066	5125.754041	5899.384544	5201.281371	5020.012171	3073.999888	3246.870813	4888.640857	5082.173993	4668.681874	3153.478477	3255.580979	3432.248491
9.11_277.1795m/z	277.1794526	9.108616667	pos	Myrsinone	HMDB0040646	Lipids and lipid-like molecules	Prenol lipids	Quinone and hydroquinone lipids	*		52	71.1	M+H-H2O	C17H26O4	-1.252451839	51293.48978	63066.18436	50646.05638	51482.26009	66405.15273	48631.48702	64000.9193	74718.87131	73491.18578	65437.46603	65532.99049	44762.29468	45450.5371	54864.28518	75867.82104	63577.67959	46437.27759	50537.63912	52093.00272
9.77_460.2687m/z	460.2686592	9.77185	pos	3-O-Acetylepisamarcandin	HMDB0031958	Phenylpropanoids and polyketides	Coumarins and derivatives	Unclassified			52	63.6	M+NH4	C26H34O6	-1.594418854	202104.1638	174706.2414	198258.6827	151412.8789	193781.1709	165274.5714	158907.1312	282935.3918	164592.8754	148403.835	187254.2713	151324.31	164306.2575	156386.1021	139023.4423	151039.3641	142741.4351	141808.8769	146597.7108
10.55_545.2748n	546.2820622	10.5469	pos	"PS(20:4(5Z,8Z,11Z,14Z)/0:0)"	LMGP03050007	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			51.9	63.9	"M+H, M+Na"	C26H44NO9P	-1.068999333	397951.0317	360876.4081	373427.1082	487450.0809	384345.5655	400919.7011	385101.5858	335813.4183	378577.2429	464201.608	458394.7931	409891.2402	351328.3663	341706.0595	460751.8346	543689.9521	474237.6007	523986.0177	470566.6787
8.73_319.1899m/z	319.1899035	8.726966667	pos	"6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione"	70482	Unclassified	Unclassified	Unclassified			51.9	64	M+H	C19H26O4	-1.51547654	4356.730679	4784.545578	4447.910513	2528.22459	3437.250302	7320.052105	2152.742756	16394.34912	5592.484734	5223.330295	2416.617383	5150.675039	3100.03423	2593.758298	2999.974104	3171.628092	3829.73843	4177.199847	2624.615422
1.59_351.0558m/z	351.0558046	1.59115	neg	4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid	HMDB0039721	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C02273	51.8	66.9	M-H2O-H	C12H18O13	-2.958559555	44059.11628	47955.47285	48327.82567	40932.47331	54153.08502	55243.20667	38425.22735	33460.75493	31906.02598	55899.98586	35488.98059	50985.33555	49984.75617	44119.03925	55814.04092	47716.40508	51561.76385	49173.85912	62323.56266
11.97_302.2240n	303.2311573	11.9722	pos	Eicosapentaenoic acid	HMDB0001999	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C06428	51.8	65.1	"M+H-H2O, M+H"	C20H30O2	-2.063400596	49786.52071	40298.65147	59953.73201	50585.57451	72764.20587	54450.23523	82867.99796	47609.49217	66721.00432	51530.93189	46853.75024	47655.70534	55918.52986	82745.71619	73804.58671	60532.57835	61090.67543	49745.26561	120524.7108
14.08_319.2625m/z	319.2625045	14.08388333	pos	Arachidonic Acid methyl ester	62953	Unclassified	Unclassified	Unclassified	*		51.8	65.1	M+H	C21H34O2	-2.049542089	36158.94541	19896.78115	28893.37252	52542.15861	19752.74141	56183.83519	44273.6697	14227.45424	10591.85217	26014.23468	27130.62861	13338.74454	26666.57185	33606.48965	33053.42843	39397.40539	31571.72699	51738.9744	41946.42944
2.98_247.1285m/z	247.128533	2.979516667	pos	L-beta-aspartyl-L-leucine	62015	Organic acids and derivatives	Peptidomimetics	Hybrid peptides			51.8	64.8	M+H	C10H18N2O5	-1.280201519	11390.6775	12075.62698	11207.31325	7891.098179	11963.11199	10578.51274	13409.12771	4044.981723	4741.937322	11302.32909	10806.25442	4743.486215	19404.20231	20436.8025	14215.31491	9832.535746	14148.33365	8099.402827	18199.38511
5.72_515.2911n	538.2802866	5.721516667	pos	Taurallocholic acid	5875	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*		51.8	67.6	"M+NH4, M+Na, M+H"	C26H45NO7S	-1.134266286	313053.7813	313902.7672	323317.533	231384.1925	265935.0098	433325.3424	215637.6805	61523.70031	344805.0239	307089.0519	242990.5313	202915.1347	200174.4034	234756.1324	1273464.774	187931.5826	301407.7708	457379.5335	181491.7982
6.48_317.2106m/z	317.210603	6.482266667	pos	"15-deoxy-δ-12,14-PGJ2"	36099	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C14717	51.8	65.1	M+H	C20H28O3	-1.638741934	2981.651784	2955.295111	2404.576641	4730.979227	924.6274975	4258.60464	1570.330432	1927.051105	1018.659076	1420.804504	2071.417811	2076.697217	2307.198626	2028.498258	3145.419397	3009.170249	4181.030353	4386.580491	4005.813018
6.54_522.2854m/z	522.2853925	6.5431	pos	Taurochenodesoxycholic acid	HMDB0000951	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	***	C05465	51.8	69.7	M+Na	C26H45NO6S	-1.176389984	1438.807769	989.9488211	931.7695541	177.1867241	578.6010062	971.3697291	233.2488732	0.000297236	561.085394	956.5476011	0.000297236	0.000297236	210.3520304	193.2954574	10785.20701	0.000297236	647.2070849	2888.207448	166.5882027
8.97_334.2139n	317.210641	8.96785	pos	12(S)-HpEPE	36347	Unclassified	Unclassified	Unclassified			51.8	64.9	"M+H-H2O, M+Na"	C20H30O4	-1.436889657	13738.00554	12582.70712	12429.49394	12162.43168	10225.28371	14250.37463	8080.486372	19643.65545	9136.255483	16571.07794	9387.48802	12367.52758	23923.07332	18209.53809	14842.91858	10532.17515	13409.71161	9646.388037	14676.98193
10.44_528.3079m/z	528.3078666	10.44185	pos	"LysoPE(0:0/20:2(11Z,14Z))"	HMDB0011483	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		51.7	65.2	M+Na	C25H48NO7P	3.574884178	140992.8484	139799.0049	139574.8367	144000.8132	167993.5962	143330.1543	133531.6204	88989.73192	171721.9754	111870.0978	123172.9127	223330.8865	187472.8602	154054.1727	147867.0969	143318.0616	141077.555	145112.5665	164747.9881
7.53_373.2733m/z	373.2732519	7.53105	pos	"3β-Hydroxychola-5,7-dien-24-oic Acid"	43006	Unclassified	Unclassified	Unclassified			51.7	66	M+H	C24H36O3	-1.261217428	3279.103496	3187.873002	3427.788177	4004.075483	1700.323658	3201.006842	1348.537852	0.000297236	0.000297236	10982.23768	1514.78465	0.000297236	1209.347401	3771.263968	5518.759542	1982.184909	4660.075909	9712.850563	1325.917173
8.29_335.2209m/z	335.2208764	8.28965	pos	PGB2	3466	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C05954	51.7	65.6	M+H	C20H30O4	-2.422004485	6822.334302	6373.846584	6239.168699	9429.329465	5719.904928	9680.129789	7649.855102	2649.935574	1707.705896	4523.107674	5482.05202	3915.009284	7497.16425	10288.48518	10107.42153	8389.718386	9282.947492	7472.34503	8516.429686
9.31_297.2663n	298.2735952	9.3109	pos	3-ketosphingosine	43208	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			51.7	63.1	"M+H, M+Na, M+H-H2O"	C18H35NO2	-1.549299198	92880.95835	100240.5464	95033.47649	101198.3368	102120.347	101446.6388	81437.75927	65367.46822	61960.16657	72204.83266	83317.5893	110133.7494	126313.6266	121004.3711	111127.66	93736.72053	86830.82027	102906.0112	124597.8809
1.88_247.1286m/z	247.128607	1.883166667	pos	gamma-Glutamylvaline	HMDB0011172	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			51.6	60.9	M+H	C10H18N2O5	-0.979637404	70102.54296	70736.08159	70253.90973	65565.01441	74524.6851	68936.61569	61480.34828	75941.18306	78939.44457	77499.36819	60188.40699	95954.97713	72214.25217	69373.66348	75811.29891	62346.18529	66747.46438	62117.24309	77513.40405
11.25_524.2978m/z	524.2977519	11.25218333	pos	PS(18:1(9Z)/0:0)	40829	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			51.6	66.1	M+H	C24H46NO9P	-1.038053623	58317.46667	51545.65107	57794.89203	61169.65299	60161.77168	65250.71486	54014.31347	54768.24493	63906.83898	57519.75304	58641.48473	75154.49439	57993.06976	57339.40051	56427.77072	75709.98882	69929.2596	70603.27778	71888.54302
4.44_436.1724m/z	436.1724385	4.4373	neg	PS(6:0/6:0)	LMGP03010020	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			51.5	63.7	M-H2O-H	C18H34NO10P	-3.85188162	29010.45005	27593.86084	28799.7337	23480.40369	27424.89979	28160.70253	30857.7732	41733.75366	39120.42644	36225.11472	33255.72136	39422.03899	21883.44161	24283.622	21843.10343	21524.57218	23727.80831	22080.96875	20123.39781
5.46_526.3133m/z	526.3132593	5.458316667	pos	PS(18:0/0:0)	LMGP03050006	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			51.5	64.5	M+H	C24H48NO9P	-1.305717385	13229.24518	14168.64529	16144.76669	16903.49295	16161.12414	13949.69726	14307.45042	14038.96804	13239.6296	12822.12132	12563.82857	16222.79781	16947.17495	15907.86395	14452.51987	14906.14783	16558.45531	19475.73773	16508.53876
8.75_484.2681m/z	484.2681278	8.752933333	neg	LysoPE(0:0/15:0)	HMDB0011472	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		51.5	60.7	M+FA-H	C20H42NO7P	0.081030524	7645.693036	7324.225767	7631.09934	5936.031624	9976.510124	5563.591799	5790.470841	7557.578049	8042.862365	5490.330835	6997.860412	16097.7217	9343.762307	5479.856002	6528.246536	4228.431448	5996.653843	4094.275972	7325.588405
1.26_268.0807n	267.0732563	1.259833333	neg	Inosine	84	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified	**	C00294	51.4	59.1	"M+FA-H, 2M-H, M-H"	C10H12N4O5	-0.26902698	3775487.678	4265791.08	4528534.931	4385948.331	5084403.18	5373011.826	5918168.877	2570067.88	2976183.431	5698797.16	4611108.655	1629986.526	4341303.754	3889181.79	4522809.241	4077100.992	4105075.206	3890306.342	4598355.517
10.25_524.2780m/z	524.2780187	10.25406667	neg	"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	LMGP02050013	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		51.4	58.8	M-H	C27H44NO7P	-0.465079499	1202059.541	1074768.128	1160434.591	1522924.503	1510242.472	1533872.375	1353143.101	489021.0943	664658.6533	1429006.278	1370520.721	818716.6514	1817215.223	1582940.624	1562401.362	1469669.621	1449099.275	1579993.781	1855007.434
12.06_271.2277m/z	271.2277248	12.05965	neg	2-hydroxyhexadecanoic acid	34495	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		51.4	60.5	M-H	C16H32O3	-0.527709173	31334.18689	30361.23708	31897.00968	33218.71566	32052.63417	32838.09145	35237.86743	26426.22868	29703.79167	29045.30673	34955.75923	36243.89892	37316.98577	38870.90823	32411.19468	34459.40241	31457.05029	32390.21418	33211.35962
4.06_246.1698m/z	246.1697939	4.0574	pos	2-Methylbutyroylcarnitine	HMDB0000378	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	***		51.4	60.1	M+H	C12H23NO4	-0.778179189	74817.25629	76590.4564	73531.0503	91915.48783	74946.80746	91895.75837	76997.54604	88214.53824	67566.38478	100931.6335	76235.09672	85560.34208	70069.32119	66089.75285	73715.11783	57618.04263	81313.83593	68204.52921	71675.61555
8.38_421.2596m/z	421.2595939	8.381166667	neg	"3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid"	LMST04010262	Unclassified	Unclassified	Unclassified			51.4	62.9	M-H	C24H38O6	0.074293924	1436.08847	1185.205941	1282.654938	132.6627785	562.6841435	118.4996104	193.4388025	665.0682606	5032.828398	546.4660825	375.418029	904.885405	505.4763068	472.0262976	9887.704037	202.0525288	1110.997369	3307.299281	332.2416607
8.61_272.2581m/z	272.2580917	8.607066667	pos	C16 Sphingosine	53900	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			51.4	62.4	M+H	C16H33NO2	-1.157667488	7228.041987	7467.008828	7457.645031	8142.150668	10001.09361	5642.852597	6440.97873	5732.785455	6478.431219	7336.341151	7393.215088	7118.781755	7982.76724	6869.099936	7482.332573	7484.487381	6613.755989	10341.923	6790.091398
11.89_508.3754m/z	508.3754292	11.89153333	pos	1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoethanolamine	LMGP02060023	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			51.3	66	M+H-H2O	C26H56NO7P	-1.37480202	41636.95922	42852.70074	40180.6687	40044.98143	42092.04373	44158.5876	43389.46795	46398.40197	40986.19501	35424.42275	34979.61249	44271.86422	39036.26837	44126.69334	43550.74722	42236.13057	39663.89285	40962.08861	37821.13855
0.78_159.1258n	160.1330458	0.781033333	pos	METHACHOLINE	43545	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts		C07471	51.2	65.5	"M+H-H2O, M+H"	C8H17NO2	-0.683584646	1729343.078	1780344.222	1628140.197	2007475.377	1968447.154	1762520.213	1911233.437	1894216.031	1732930.764	1806845.725	1799399.734	1225989.772	1522132.499	1454537.296	2140970.664	2061624.495	1990586.584	1930280.704	1321826.13
9.92_195.1014m/z	195.1013751	9.92055	pos	Butyl salicylate	HMDB0040730	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	***		51.2	59.7	M+H	C11H14O3	-1.007929902	42325.945	41501.04509	44678.07526	45378.54905	41784.84307	44254.1497	44418.29013	45126.63848	42198.11834	45076.95306	41668.76988	45759.37716	45753.34473	44852.51085	48372.48217	44776.83733	44937.5402	44607.7128	40680.48177
0.76_229.0882n	230.0955212	0.764	pos	Ergothioneine	53	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C05570	51.1	63.7	"M+H, M+Na"	C9H15N3O2S	-1.104102674	376921.2038	384379.5762	352961.2619	264358.1934	614047.5654	613238.9858	270537.433	211884.8014	208581.8324	602391.5092	231318.0226	232060.7846	418874.1191	454235.6764	365394.9316	320526.9465	360364.7835	273007.0106	414723.4775
0.93_130.0499m/z	130.0499257	0.929766667	pos	(R)-(+)-2-Pyrrolidone-5-carboxylic acid	63632	Unclassified	Unclassified	Unclassified			51.1	62.2	M+H	C5H7NO3	0.435662976	178133.202	177902.8174	185082.8359	170628.6249	179287.2493	204776.1588	146073.9955	154441.5883	160124.18	212075.7989	141798.3662	259602.9764	188884.9747	179490.0412	186950.1234	164496.9939	171277.4041	158332.0666	188991.246
1.30_130.0497m/z	130.0496739	1.297066667	neg	N-Acetyl-L-alanine	HMDB0000766	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		51.1	67.3	M-H	C5H9NO3	-9.864828731	65416.50692	64982.4475	62727.89074	51315.70691	72665.7446	62024.23976	71425.41113	83611.68797	69418.73116	68804.79373	65001.16337	64642.33753	68867.35343	63832.6435	48596.44945	45948.81024	50040.99309	49108.91307	83647.90396
10.22_472.3417m/z	472.3417192	10.2175	pos	Cervonyl carnitine	LMFA07070055	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		51.1	59.4	M+H	C29H45NO4	-0.882882346	49762.4092	59323.97205	54631.5097	65575.38453	47495.11858	87936.59473	58651.06528	89760.93864	81531.72706	64854.775	61323.50256	95629.90537	55308.74277	47746.40403	42829.67713	50863.58902	56225.22033	58332.01348	60226.04477
10.88_294.2188n	295.2261197	10.88211667	pos	9-OxoODE	35860	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	**	C14766	51.1	64.4	"M+H, M+Na"	C18H30O3	-2.21456619	31325.16498	21416.75236	25937.39666	17465.80973	23833.78407	16447.98916	15904.30227	18896.29668	16548.55974	10655.37811	17743.2348	20519.82811	18043.22995	12852.96592	23360.81907	15325.38412	14194.82204	23145.02627	20684.34978
11.76_594.3776m/z	594.3776199	11.76273333	neg	PC(20:1(9Z)/0:0)	LMGP01050047	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			51.1	58.2	M+FA-H	C28H56NO7P	-0.041300747	43655.34086	43237.41972	42643.44645	41199.11697	47521.19925	52389.95975	51596.82199	28232.79347	33596.54246	42980.91647	47527.55715	39382.80152	54250.07326	52878.20812	49451.25968	47238.07807	48810.50842	42997.88229	48483.43354
4.08_575.2708m/z	575.2707838	4.078183333	neg	Cinncassiol D2 glucoside	HMDB0034679	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*		51.1	66.5	M+FA-H	C26H42O11	-0.247512949	963.8805948	752.6666154	876.665686	0.000297236	0.000297236	0.000297236	0.000297236	14474.11233	4574.220142	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	443.9205082	99.88565235	109.3352935	297.6715519	0.000297236
7.16_401.0876m/z	401.0876073	7.163366667	neg	Isokanugin	LMPK12112733	Lipids and lipid-like molecules	Polyketides	Flavonoids			51.1	59.5	M+FA-H	C19H16O7	-0.557134501	56553.41168	83315.27762	61390.32147	64063.14256	77222.29561	64403.70621	76136.57691	58773.88076	62121.18179	69128.88041	93081.7246	62076.16075	70193.8008	64626.41036	69854.38261	71963.37453	62614.74108	77050.89417	63499.53126
10.42_399.3341n	400.3413784	10.42206667	pos	L-Palmitoylcarnitine	HMDB0000222	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	***	C02990	51	61	"M+H, M+Na"	C23H45NO4	-1.895643122	438192.2755	473566.2575	465761.1808	428198.3335	477079.3304	450132.2099	515590.1966	509576.8575	664273.1812	311306.2084	395735.9968	668827.883	556275.2396	500640.0251	437827.9878	428684.1037	432103.4671	453087.3024	416291.8897
11.32_297.2418m/z	297.2417691	11.31513333	pos	"12,13-epoxy-9-octadecenoic acid"	35862	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C14826	51	62.3	M+H	C18H32O3	-2.201744978	27208.77981	21303.30533	26077.40183	18026.69616	22342.61707	22866.44621	20007.45319	17346.13023	19635.79341	17234.94767	18684.58221	17654.67823	17785.64093	15221.53574	18057.92621	18805.56611	17860.74553	17462.19877	18117.5558
4.04_457.1116m/z	457.1116256	4.0375	pos	Flavin Mononucleotide	HMDB0001520	"Nucleosides, nucleotides, and analogues"	Flavin nucleotides	Unclassified	**	C00061	51	63.1	M+H	C17H21N4O9P	-0.582573019	15534.45047	15094.02569	14746.0809	18042.04669	16427.94656	18279.30799	13715.80504	13229.55367	15250.31777	16071.27235	13114.66944	13474.30787	13128.17309	13400.09539	15718.08372	15648.16991	15127.59759	18352.19197	14744.82301
0.89_358.1129m/z	358.1129384	0.89155	pos	cyclo-Dopa 5-O-glucoside	64475	Unclassified	Unclassified	Unclassified			50.9	63.7	M+H	C15H19NO9	-0.894011424	19327.25244	16026.10734	17678.41538	20509.19062	15961.49862	38613.79591	8398.573903	17742.15862	21245.86754	20372.54085	16249.25132	18437.40004	16341.47361	11696.05164	12703.20069	15069.14994	10923.45123	11877.64808	13470.41519
11.36_572.2953n	555.2920124	11.35653333	pos	1-Palmitoylglycerophosphoinositol	HMDB0061695	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	***		50.9	72.2	"M+H-H2O, M+H, M+Na"	C25H49O12P	-1.507922186	217158.8177	186571.2039	211090.9434	245236.8038	255332.2891	264920.178	229532.6226	162412.1586	186696.8374	217831.3486	223187.1356	220184.666	257900.6015	249103.3065	232818.8825	239019.2011	214481.6463	242830.0493	273757.7662
12.00_554.3824m/z	554.3824155	11.99595	neg	LysoPC(O-18:0)	HMDB0011149	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04317	50.9	57.8	M+FA-H	C26H56NO6P	-0.613565345	59822.54058	57088.33528	61117.09493	67420.50359	61128.23407	73812.5875	73052.70587	60119.82786	58144.94348	54899.53342	67834.71995	54825.61002	55138.06285	60926.78905	59198.0623	63105.7191	68419.50939	66338.11579	53995.21632
5.88_496.2718m/z	496.2718224	5.879683333	pos	Sulfoglycolithocholic acid	LMST05030015	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*	C15557	50.9	66.6	M+H-H2O	C26H43NO7S	-1.778861091	2451.285738	1909.98427	1876.795731	334.7049431	1621.337857	2032.30787	633.7362108	920.9834782	2850.931366	1578.829042	841.9449838	1219.903952	760.5578219	557.608269	13906.03967	745.9085719	1573.522281	5136.533999	558.6012165
11.02_305.2468m/z	305.2467751	11.02468333	pos	8(S)-HETrE	36269	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			50.8	62.4	M+H-H2O	C20H34O3	-2.270125762	16173.24702	15459.33111	16482.62773	18833.43905	10667.3878	15315.87271	12539.6138	24391.77588	13025.00479	11261.62439	14393.2916	22591.73965	14925.13509	18921.31199	20262.32127	17002.39812	19316.3944	22422.47239	21937.4535
11.95_300.2890m/z	300.2890118	11.95225	pos	Palmitoyl Ethanolamide	43210	Organic acids and derivatives	Carboximidic acids and derivatives	Carboximidic acids	**	C16512	50.8	61	M+H	C18H37NO2	-2.318926696	26920.13105	25144.24443	27774.16855	30802.00274	25280.92449	27520.09334	26130.43396	20252.17189	25066.05375	24474.62687	24393.48953	29884.0577	26784.28721	28586.52585	27435.79824	30168.63244	26868.6228	31114.46618	30728.30925
7.31_331.1898m/z	331.1897828	7.3126	pos	Yucalexin P15	HMDB0036753	Lipids and lipid-like molecules	Prenol lipids	Diterpenoids	*		50.8	60	M+H	C20H26O4	-1.825966968	12153.29457	12140.1331	12372.86819	10493.75761	11139.04585	19036.22158	11344.08725	12541.20159	6462.342221	15406.85192	14543.46693	9484.955179	9327.809263	11675.62086	13656.25974	11932.73328	16204.44916	18566.40619	6730.909796
1.28_228.0739n	273.0724989	1.278416667	neg	2'-Deoxyuridine	91	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Pyrimidine 2'-deoxyribonucleosides	**	C00526	50.7	59.5	"M-H, M+FA-H"	C9H12N2O5	-3.214335982	86094.58032	88466.55064	95800.27993	98485.11213	58926.91831	61462.78171	86189.9977	96651.3112	152868.2357	58212.90056	91777.16307	166915.937	96893.39163	96782.23031	78816.49439	74402.01288	68951.54793	81498.7679	135293.5714
10.05_460.2686m/z	460.2686303	10.04785	pos	Pectachol	HMDB0039064	Phenylpropanoids and polyketides	Coumarins and derivatives	Unclassified			50.7	57.6	M+NH4	C26H34O6	-1.659857689	177217.1771	129236.7977	169243.5654	128098.3159	139803.1749	114880.545	113126.7772	116897.2193	118531.8332	110379.73	103137.2383	108947.4801	96971.02946	99288.59676	106964.6392	102851.4168	109864.0169	138463.8616	114594.4323
10.68_480.3102m/z	480.3101698	10.67961667	neg	PC(15:0/0:0)	LMGP01050016	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	50.7	59.3	M-H	C23H48NO7P	1.260453351	37860.70138	37051.00826	39909.9133	40854.57337	40386.58085	44719.69367	45832.33848	31346.52004	37741.49922	36316.99591	36269.30153	41868.70989	46304.14674	43598.54209	42304.65066	41570.45769	38994.70718	40398.52461	43400.50547
12.02_733.5502m/z	733.5502212	12.01765	neg	SM(d18:1/15:0)	LMSP03010038	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids			50.7	67.4	M+FA-H	C38H77N2O6P	0.135740863	79690.78537	61105.84539	72527.20427	52723.49515	68590.8256	69331.51959	83875.7533	92273.77073	67220.73628	86948.96648	90062.23563	64885.89019	75884.24841	88168.07002	78540.14925	67235.54458	65525.26067	68546.39101	62216.33601
2.06_118.0653m/z	118.0652669	2.057533333	pos	Benzeneacetonitrile	HMDB0034171	Benzenoids	Benzene and substituted derivatives	Benzyl cyanides	**	C16074	50.7	62.4	M+H	C8H7N	1.20655749	11620.62504	13250.32799	12436.52675	12360.62657	12510.88145	10749.71479	10709.81432	9773.449325	9898.925756	9765.67387	11063.16828	11939.56214	13448.62523	12453.54512	12771.42197	12477.77995	13262.22356	12898.62565	15590.06106
0.44_221.1533m/z	221.1533062	0.439416667	pos	"(9R,13R)-1a,1b-dihomo-jasmonic acid"	LMFA02010010	Lipids and lipid-like molecules	Fatty Acyls	Octadecanoids			50.6	57	M+H-H2O	C14H22O3	-1.259969002	1136171.568	942865.3536	929221.6763	997279.9635	956060.3416	1024919.5	1005322.401	1051862.414	990511.7504	1077998.772	1118479.88	879184.6307	960725.6554	989308.4509	974902.9348	1004646.919	918350.0749	1036097.257	910275.1995
11.60_254.2473m/z	254.2472574	11.604	pos	Palmitoleamide	97431	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			50.6	59.6	M+H	C16H31NO	-2.30468619	46102.14661	43519.64138	43566.81482	46038.26372	48545.62994	44888.30568	48951.32544	49820.83936	46089.32245	48045.39022	47137.61475	44045.30861	42936.11539	46468.90793	46572.23357	47671.54818	48330.24594	47621.04751	44163.9395
6.48_369.2282m/z	369.2281816	6.4798	neg	"15(R),19(R)-hydroxy Prostaglandin E1"	45601	Unclassified	Unclassified	Unclassified			50.6	57.6	M-H	C20H34O6	-0.218101612	55683.96179	61723.35104	61064.07167	105427.5349	35061.65632	90533.14233	49225.29595	38535.20535	17959.74119	40998.67086	52796.28834	53176.64702	46016.81474	50705.25583	71938.84984	66283.5524	82101.77957	102698.1594	84948.46748
0.75_115.0635n	116.07082	0.7465	pos	L-Proline	29	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00148	50.5	60.3	"M+H, M+Na"	C5H9NO2	1.869107895	4416682.124	4555493.998	4447479.522	4846403.471	4665537.294	3967139.008	4164997.582	3996350.078	3800384.473	3910023.996	4337285.917	5370162.528	4339955.204	4695159.958	4939957.615	4766267.359	4598161.485	4815931.22	5600224.069
3.66_337.1390m/z	337.1389997	3.65905	pos	Semilepidinoside A	88998	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			50.5	58.9	M+H	C16H20N2O6	-1.228977478	31252.90796	34314.56635	32077.62813	39893.74751	26198.74531	29399.97109	20802.04898	21171.65358	23509.27858	28517.48398	31329.61815	34395.08174	33215.32194	33777.3268	41720.39347	42651.64818	35452.48366	47987.90952	43690.87387
9.81_426.2609m/z	426.2608795	9.81395	pos	LysoPE(14:0/0:0)	HMDB0011500	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		50.5	58.6	M+H	C19H40NO7P	-1.49608459	12261.9836	12909.26254	13203.49955	12413.10779	22824.99472	11639.37814	13098.33854	6154.189294	13270.92014	10629.26528	11052.62493	19975.87549	22611.15938	16419.57008	10866.73755	9779.279331	11789.42364	8912.27042	17426.45952
1.89_245.1140m/z	245.1139774	1.886633333	neg	Glutamylvaline	HMDB0028832	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			50.4	55.9	M-H	C10H18N2O5	-1.291613235	13475.13141	13612.18796	13150.65625	12512.88773	14579.56043	13946.10773	12733.55931	15013.94933	15575.12908	14311.92694	12116.02675	16284.72575	12665.05092	12574.81504	12661.34994	11839.78976	13135.12189	11823.2492	14882.50245
10.18_658.3343m/z	658.3342672	10.17525	pos	OKOOA-PS	LMGP20040029	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			50.4	58.5	M+H-H2O	C32H54NO12P	-1.195456148	12540.22011	12800.10194	12925.81005	20140.2442	15304.68269	20693.78681	9471.895131	4020.219038	5566.138261	14027.97861	12646.27909	7176.290158	21978.91017	20055.90743	22396.83903	18499.93562	16419.33968	18380.24644	19983.18017
4.23_178.0499m/z	178.0498778	4.225533333	neg	Hippuric acid	HMDB0000714	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	***	C01586	50.4	60.4	M-H	C9H9NO3	-6.081468737	9311.08735	9140.398426	8927.443166	7012.205121	10674.52619	44509.45168	6564.721614	8637.18917	5819.046543	20593.48712	4897.055196	4256.501554	3946.522382	2571.431817	9811.47794	5474.233868	6844.121539	3432.251455	4577.123929
9.57_333.2072m/z	333.2071519	9.566216667	neg	"13,14-dihydro-15-keto-PGA2"	3823	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			50.4	56.3	M-H	C20H30O4	0.056440386	12379.31162	11816.61605	11224.91332	14304.97287	9206.309164	14766.21859	12525.88214	8152.868597	5406.889877	9555.932105	8360.289346	17264.88322	12314.75534	18223.21421	15773.75481	12641.4287	18062.42542	10497.11158	13461.5262
1.06_248.1489m/z	248.1488723	1.062216667	pos	(R)-3-hydroxybutyrylcarnitine	HMDB0062735	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	***		50.3	55.9	M+H	C11H21NO5	-1.524922946	767968.5195	781563.5202	731296.1191	582873.9312	697400.9931	601582.2665	515511.3991	1467290.911	1478919.122	407574.3985	677093.4717	781012.337	802203.9523	755338.5139	575333.2835	631264.6637	615411.2741	535988.3248	813641.1283
10.26_385.2729m/z	385.2728525	10.25731667	pos	"24-Nor-5beta-chol-22-ene-3alpha,7alpha,12alpha-triol"	LMST04060012	Unclassified	Unclassified	Unclassified			50.3	61.8	M+Na	C23H38O3	4.241779541	9946.963233	7757.710497	10775.63583	12391.27133	10603.58335	13932.51973	9595.858137	4480.552967	4574.657855	10804.80478	10791.63766	4409.691122	12998.03608	9747.596923	12392.2165	10624.09455	11238.1016	11716.17637	15888.28748
10.88_440.3139m/z	440.313876	10.88211667	pos	PA(O-18:1/0:0)	LMGP10060006	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates			50.3	54.7	M+NH4	C21H43O6P	0.769072934	56055.31014	55087.86476	57962.3362	65660.66358	62982.92564	52172.58536	64764.43277	25857.54063	51008.51859	40544.35003	59785.64646	50459.87888	80831.97181	90500.81715	47810.49838	49012.5887	46329.39058	53073.63472	72951.86461
4.53_193.0738n	194.081077	4.532133333	pos	Phenylacetylglycine	4237	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C05598	50.3	54.1	"M+H, M+Na"	C10H11NO3	-0.480117639	68113.26931	71682.77931	68300.10334	126271.2053	66409.38925	43285.13966	64998.51588	76487.15874	74967.29557	32816.55134	56845.44709	105856.751	58708.14293	71500.29834	67912.41447	73227.37525	95846.44781	75207.89921	49347.67072
9.46_311.1849m/z	311.1848742	9.456416667	pos	"3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide"	95221	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones	*		50.3	59.9	M+H	C17H26O5	-1.374028936	1984.849585	2530.181968	2115.555163	2779.597709	3223.005093	1730.423868	2938.255921	3568.099385	3010.079393	1672.127668	2616.319056	2397.311389	3155.959805	3247.865423	3609.162355	2998.933339	2549.726406	2914.8069	3429.314343
0.31_152.1200n	153.1271817	0.30925	pos	"Limonene-1,2-epoxide"	41092	Organoheterocyclic compounds	Oxepanes	Unclassified		C07271	50.2	53.6	"M+H-H2O, M+H"	C10H16O	-0.750013224	427364.907	264597.938	332150.1577	321709.6463	329324.7488	357683.0221	332351.9025	338708.7375	323950.4676	333890.6793	400720.8771	320500.1588	302584.2576	288929.5314	322187.9812	335979.7568	323858.043	339808.4504	277834.3242
6.60_363.2159m/z	363.2159487	6.6041	pos	Cortisol	HMDB0000063	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	***	C00735	50.2	57.6	M+H	C21H30O5	-1.799560959	4681.41917	5389.582357	5365.936954	7490.437353	3256.283888	7551.737824	6553.751314	4804.281582	2783.829497	3838.670999	7936.157529	6553.499356	4566.644654	5184.612333	6342.73652	5251.228609	6360.820294	7391.771741	3893.276185
1.34_202.1076m/z	202.1075926	1.336933333	neg	N-lactoyl-Leucine	HMDB0062176	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		50.1	61.2	M-H	C9H17NO4	-4.37656734	3652.276378	3569.45838	3823.900923	3883.780749	3044.687355	4860.473953	3263.471085	7691.370466	7788.291463	3608.02955	3202.281361	2697.760428	2680.543086	3008.212268	2959.910044	3065.104967	2840.478935	3484.144989	2528.532192
11.34_323.2589m/z	323.2589028	11.33778333	neg	(±)11-HEDE	34607	Unclassified	Unclassified	Unclassified			50.1	56.3	M-H	C20H36O3	-0.819571653	7143.040258	7134.247421	6739.997431	9900.198971	2481.299798	4301.318079	6152.302141	13730.25251	5898.941418	2571.732519	7587.21425	12520.46001	6558.039625	7373.875097	9927.524901	8640.131024	8688.048467	10469.49083	9348.665303
2.06_107.0494m/z	107.0494357	2.057533333	pos	Benzaldehyde	58358	Benzenoids	Benzene and substituted derivatives	Benzoyl derivatives	**	C00261	50.1	55.4	M+H	C7H6O	2.776718548	94853.07804	87806.44471	91309.71611	99278.71818	92756.53718	91769.74542	99076.88463	90998.31276	90644.04909	94449.20316	93159.63345	89079.17361	92166.38464	92649.46604	96921.30368	99785.33671	94613.18969	94830.90749	93046.42557
4.12_189.1000n	190.1072309	4.11915	pos	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate	66366	Unclassified	Unclassified	Unclassified			50.1	56.3	"M+H, M+Na"	C8H15NO4	-0.811933882	10288.04487	11072.42058	10515.65291	11339.14697	7691.667422	13735.21488	6160.831105	9262.454832	7915.883987	8294.71512	6403.998825	14316.28357	11222.94201	8559.077551	12111.10671	8042.6461	11497.66198	12011.29426	18335.93182
8.08_352.2249n	351.2176505	8.077566667	neg	"13,14-dihydro-15-keto-PGD2"	3817	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		50.1	59.7	"M-H, M+FA-H"	C20H32O5	-0.134108938	5169.865551	5118.671493	4191.411034	8017.834392	2627.490765	6193.775593	2470.045329	1714.46642	1484.016075	2901.593207	5522.644784	3868.664852	3440.621781	3896.851266	4421.555224	5260.779699	5784.700126	6246.643728	5403.984575
8.37_381.2647m/z	381.2646896	8.366083333	neg	"1a,1b-dihomo PGF2α"	36206	Unclassified	Unclassified	Unclassified			50.1	56.2	M-H	C22H38O5	0.109014506	3142.519369	3817.174354	3215.02718	2625.109589	1663.466257	1866.418097	1833.503906	11015.53859	5460.200457	1157.935204	3199.846165	6431.178565	2954.944534	3246.620391	3578.080787	3100.673207	3108.342433	3845.442488	3169.246672
0.29_105.0702m/z	105.0701518	0.291416667	pos	2-Phenylethanol	64740	Benzenoids	Benzene and substituted derivatives	Unclassified	**	C05853	50	54.6	M+H-H2O	C8H10O	2.253393392	48295.30319	35924.17725	40333.08318	41852.91431	39916.73503	44536.11678	50337.32316	50621.21334	48988.52522	46794.03835	47569.33128	37642.45885	37967.24845	37857.36731	40764.7308	39608.44611	37783.32019	42428.50767	38116.70992
0.70_133.0606m/z	133.0606283	0.695266667	pos	L-Asparagine	14	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C00152	50	55.7	M+H	C4H8N2O3	-1.062453035	261835.8122	281101.9479	217335.7433	297530.9119	246874.0143	254945.8584	245370.4866	239464.092	201006.41	251708.3335	264758.5298	276092.9362	263453.2672	299603.8715	241287.1278	279637.8981	232799.6281	296449.8835	270746.3496
1.65_288.1201m/z	288.1201373	1.6536	neg	Prolyl-Gamma-glutamate	HMDB0029031	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			50	54.5	M+FA-H	C10H17N3O4	0.11692235	1851.527092	1734.178319	1924.566188	1286.614511	2836.842852	4772.662646	1356.109382	1167.827224	1033.689677	3713.700839	1210.412264	1020.214125	1401.523191	1128.214097	1623.918026	1372.469439	2214.148548	1577.615286	1350.565918
10.53_570.2821m/z	570.2821085	10.52578333	pos	"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	LMGP03050013	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			50	55.6	M+H	C28H44NO9P	-0.942556683	74865.03073	70003.27798	76041.54078	89766.75059	77088.57826	93825.15942	76245.6657	46581.52593	64716.92164	92406.8721	77535.98648	83655.7938	89638.37321	77036.07381	83108.51624	91371.64646	79753.13353	97814.69716	107278.1218
15.64_221.1532m/z	221.1531555	15.64291667	pos	"(9S,13S)-1a,1b-dihomo-jasmonic acid"	LMFA02010011	Lipids and lipid-like molecules	Fatty Acyls	Octadecanoids			50	55.6	M+H-H2O	C14H22O3	-1.892979463	647515.7774	560165.9763	560596.1837	610969.8704	588151.6492	611599.7247	631550.7817	623696.0147	617582.3089	678401.6209	714841.2556	565260.8072	604150.4197	555311.8634	623872.9492	620569.6007	572247.3957	610161.4808	584753.0453
5.74_570.2172m/z	570.2172321	5.740583333	pos	"(Z)-Resveratrol 3,4'-diglucoside"	HMDB0039910	Phenylpropanoids and polyketides	Stilbenes	Stilbene glycosides			50	54.1	M+NH4	C26H32O13	-1.601894578	22308.31762	20327.48118	23042.94864	14043.3437	18735.16666	31037.96146	15861.14109	3919.100273	26746.54724	20886.38766	17283.37819	13284.07642	12780.98748	13733.50466	81462.9104	11393.93355	21507.50265	27848.27303	11634.01859
1.08_118.0420n	136.0757424	1.079266667	pos	Benzofuran	70116	Organoheterocyclic compounds	Benzofurans	Unclassified		C14512	49.9	54.3	"M+H, M+NH4"	C8H6O	1.135907522	559589.166	598154.463	549639.8852	579004.1421	574603.9532	566953.0936	535101.3331	458681.1658	483202.775	550177.9464	548587.2087	563486.0529	589370.3418	630682.2579	631653.2665	596145.9807	561522.1548	589239.9925	638455.1334
2.66_188.1159n	189.1232238	2.664816667	pos	Glycylleucine	HMDB0000759	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C02155	49.9	51.9	"M+H, M+Na"	C8H16N2O3	-0.770670574	33841.04709	36538.57616	34286.83021	17418.96639	58191.49242	22639.46461	49885.7175	5680.980405	9102.376253	52030.81584	31299.71161	8631.398056	48358.84261	62852.92435	52205.27643	43394.26616	44394.37855	19731.59377	38139.04712
7.05_357.0616m/z	357.0615898	7.050016667	neg	PSOROMIC ACID	43642	Unclassified	Unclassified	Unclassified			49.9	53.8	M-H	C18H14O8	-0.003315836	16524.16584	11815.52188	16179.28862	12102.64424	10465.36308	12853.95842	12187.49495	14683.77022	13473.11394	12339.11894	13599.71444	11813.0818	11342.59658	14062.37326	11051.65665	12032.38761	12969.69856	10202.67408	9986.915972
0.78_273.1093m/z	273.1092621	0.781716667	neg	Pyroglutamylvaline	HMDB0094651	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			49.8	51.5	M+FA-H	C10H16N2O4	0.22890584	76126.95977	80087.08279	81371.81461	126499.6351	140572.762	83344.71726	172488.4221	12267.04151	12413.02963	72899.52271	122908.1975	31301.7541	51703.86725	63870.99094	81996.13305	78833.53293	81550.0205	103146.597	84852.45222
1.06_385.1282m/z	385.1281536	1.062216667	pos	S-Adenosylhomocysteine	HMDB0000939	"Nucleosides, nucleotides, and analogues"	5'-deoxyribonucleosides	5'-deoxy-5'-thionucleosides	***	C00021	49.8	59.7	M+H	C14H20N6O5S	-1.852593688	380596.5303	360313.6267	381240.2368	365485.3972	495233.2235	348947.603	526564.9903	194676.0194	321771.6739	484477.1174	413152.7466	275196.655	431817.8003	439912.4245	427970.881	426684.6234	352610.2023	297479.5265	364375.1057
1.53_308.1337m/z	308.1337165	1.533166667	pos	Osmundalin	HMDB0031304	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			49.8	53.1	M+NH4	C12H18O8	-0.953276053	131020.9906	136570.5787	131041.8854	134713.4972	86553.73069	408257.5201	69383.04304	303066.6296	373057.4785	149374.707	80400.19809	101782.2543	83095.9226	59402.21821	56358.89649	72654.76789	53171.70157	65198.5407	40268.30236
2.05_165.0776n	164.0703713	2.054766667	neg	L-Phenylalanine	HMDB0000159	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C00079	49.8	67.2	"M-H, M+FA-H, 2M-H"	C9H11NO2	-8.062142901	753094.1225	829972.515	774055.8781	848511.7457	877696.5973	770159.0233	790434.0505	697094.0101	637553.4231	816957.4579	799190.3595	746531.4852	827598.727	808333.1862	816830.3358	753392.1506	847427.1109	841936.9879	1062883.235
3.96_269.0667m/z	269.0666827	3.9553	neg	Phenylglucuronide	HMDB0059806	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			49.8	53.1	M-H	C12H14O7	0.023605007	1381.44623	1414.830649	1278.022942	1294.727815	47.99571852	218.7466465	1429.293341	959.0270674	1020.370361	609.3489544	996.8528102	4458.451663	386.1685473	2984.524589	2926.918998	1531.96142	2310.241317	1013.468018	670.5001988
4.94_237.0997n	238.1069827	4.9422	pos	N-lactoyl-Phenylalanine	HMDB0062175	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		49.8	54.3	"M+H, M+Na"	C12H15NO4	-1.694281313	25072.88125	25372.88898	24424.46171	28964.2099	19141.69821	31319.83241	17988.58335	23599.89977	18003.55787	21025.56686	16106.30451	32169.77361	25233.55276	24131.93091	31657.84144	20611.3649	28121.26555	28320.05622	43267.76751
9.90_586.3153m/z	586.3152964	9.896683333	neg	"PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)"	LMGP01050050	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			49.8	55.4	M+FA-H	C28H48NO7P	0.469207649	50430.35227	45152.22645	45530.01741	57364.76866	60059.62306	58206.59428	67170.37224	19405.26419	27429.51494	61080.29422	53347.23423	32589.89606	106241.9342	90513.60006	66494.35275	53618.54311	56380.48401	54414.78112	106024.9373
1.08_344.1335m/z	344.1335066	1.079266667	pos	b-D-Glucopyranosiduronic acid	2024	Unclassified	Unclassified	Unclassified			49.7	59.2	M+H	C15H21NO8	-1.417726524	88855.75482	95406.88523	89159.98855	116452.7915	103258.9068	83006.41303	64864.75417	108748.0122	115164.4518	73660.02797	90327.56204	154180.1546	82433.24071	102660.7374	90541.67467	104115.8522	85572.57292	88457.92465	106298.4291
1.18_361.1068m/z	361.1068221	1.1797	neg	1-O-Methylglycyrol	LMPK12090047	Phenylpropanoids and polyketides	Isoflavonoids	Coumestans			49.7	60.7	M-H2O-H	C22H20O6	-3.485982422	105284.9019	92957.04764	108905.6671	107960.9609	109370.7878	98198.55545	103435.0352	93060.82017	84545.30672	102901.0804	106608.5598	94148.14717	123969.7794	115552.7035	101479.4361	102364.3238	111420.8739	119431.5509	131542.9326
11.54_347.2816n	348.2888946	11.54288333	pos	Arachidonoyl Ethanolamide	3721	Organic nitrogen compounds	Organonitrogen compounds	Amines	**	C11695	49.7	57.3	"M+H, M+Na"	C22H37NO2	-2.335911579	20827.20718	17953.31081	22395.26911	33805.43811	22676.25646	31899.39486	22161.13219	9034.019401	10722.88567	23156.97178	23356.2627	12261.38005	20841.58067	23304.70206	25542.58405	28893.99945	27766.45919	31692.03473	28697.59839
12.54_304.2399n	303.2326528	12.54275	neg	"8,11-eicosadiynoic acid"	24087	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			49.7	52	"M-H, M+FA-H, 2M-H"	C20H32O2	-0.989336154	281888.3233	259721.8389	253025.4898	273441.9672	321631.0797	323400.3447	312427.2953	408174.9512	415522.809	231918.7312	286812.554	468683.7256	336362.6052	432898.8498	305850.4936	350987.5322	267498.951	318920.7005	249723.996
4.65_172.0967m/z	172.0967341	4.647516667	neg	N-Acetylleucine	HMDB0011756	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C02710	49.7	58.6	M-H	C8H15NO3	-6.832875646	4093.155519	3954.874078	4206.341157	5276.798934	4425.2969	4711.438237	3989.981733	2911.366964	2662.854613	4404.979632	3613.664697	3031.32352	4603.966486	4476.015413	4413.638586	4130.483953	4403.526173	5000.633776	5420.897705
4.95_333.0077m/z	333.0076744	4.954616667	neg	"5,7,4'-Trihydroxyflavanone 7-sulfate"	LMPK12140327	Unclassified	Unclassified	Unclassified			49.7	58.4	M-H2O-H	C15H12O8S	0.645353308	3181.094458	3042.116882	3181.433875	571.893478	4127.923297	11817.82628	890.1936123	881.848748	338.6111387	23439.44152	425.6315069	516.2890354	461.3007106	616.8176038	1977.687255	2456.306006	3156.09606	1048.367931	646.8128219
0.83_113.0348m/z	113.034796	0.833416667	pos	Maleic hydrazide	72280	Unclassified	Unclassified	Unclassified			49.6	55.6	M+H	C4H4N2O2	2.161802628	246310.1184	237027.8944	238012.6263	243064.3162	218050.0247	230085.6087	200257.1673	259721.1809	272394.9422	219772.8305	215706.1735	306655.253	234000.2876	238226.0219	263807.9724	256906.8857	239932.84	240618.3547	237075.4963
10.34_474.3576m/z	474.357562	10.33983333	pos	"(25R)-12alpha-hydroxy-24R,26R-dimethyl-26,27-cyclo-cholest-4-en-3,6-dione"	LMST01100012	Unclassified	Unclassified	Unclassified			49.6	54.3	M+NH4	C29H44O4	-0.48955627	5973.041278	6440.789287	5383.11799	7743.255166	4016.998805	9766.269656	8146.898359	8537.85347	11699.9661	5812.649324	6792.895593	14862.85829	6419.344139	4977.941226	5556.83454	4859.754319	6207.936777	5426.981618	5268.373511
10.83_747.5658m/z	747.5658189	10.82751667	neg	SM(d17:1/17:0)	LMSP03010043	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids			49.6	50.2	M+FA-H	C39H79N2O6P	0.058608408	7661610.314	7662278.57	7444354.075	7878583.406	7692311.626	8153834.744	9093445.987	8802259.633	8510751.111	8035029.141	8828567.043	490673.1207	9642167.367	9464879.392	9490500.503	8903304.392	8053701.307	7577290.389	7371392.897
11.54_324.2890m/z	324.2889629	11.54288333	pos	Linoleoyl Ethanolamide	3718	Organic nitrogen compounds	Organonitrogen compounds	Amines			49.6	54.7	M+H	C20H37NO2	-2.298313158	28394.28475	25305.68144	28214.97094	33624.54152	24741.33989	34240.69567	27858.15839	24329.93026	22757.8791	26943.24568	32618.36765	30020.43053	26249.89182	24431.78559	34994.05276	34564.68092	30480.41012	35329.67876	30008.51245
11.58_523.3631n	524.3703583	11.58355	pos	LysoPC(18:0)	HMDB0010384	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	***	C04230	57.4	89.9	"M+H, M+K, M+Na"	C26H54NO7P	-1.35240336	11297283.17	10595814.38	11278158.19	11051560.37	10689471.62	10767354.72	12362173.55	9021343.46	10236983.43	9085824.335	11934684.5	11052713.6	11568548.98	11901392.64	12388581.59	12034598.74	13059531.83	10919535.52	11053948.95
3.81_188.0343m/z	188.0342778	3.807833333	neg	Kynurenic acid	HMDB0000715	Organoheterocyclic compounds	Quinolines and derivatives	Quinoline carboxylic acids	***	C01717	49.6	56.3	M-H	C10H7NO3	-5.495272705	1100.996587	1304.865087	1199.741512	917.1452387	969.2267438	1105.027941	661.1729583	2305.293159	2024.523844	1083.023875	765.336348	2337.839842	788.5929828	762.3468027	1198.7199	680.632777	950.6211078	746.9280354	960.0669424
10.53_504.3079m/z	504.3078802	10.52578333	pos	"LysoPE(0:0/20:3(11Z,14Z,17Z))"	HMDB0011484	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	***		49.5	53.3	M+H	C25H46NO7P	-1.163580256	95840.47921	96864.47493	97161.36929	106603.0968	107892.3103	87896.40632	100451.1826	46664.92156	75109.60872	77496.02192	92758.45146	110089.3703	147068.9247	129537.2805	109964.0295	99876.88111	99451.8179	96315.25809	133829.9524
11.89_750.5406m/z	750.5406294	11.89153333	pos	"PE(P-18:0/20:4(5Z,8Z,11Z,13E)(15OH[S]))"	LMGP20020010	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			49.5	65.6	M+H-H2O	C43H78NO8P	-3.371052385	573777.8205	796911.4382	508883.949	528390.4394	484012.4908	492429.7622	476599.0527	582513.3728	562208.3382	646141.6227	609688.3242	817200.4092	832958.4294	210533.2702	558590.1488	665753.449	777822.2085	644966.1655	557762.2551
13.68_310.3097m/z	310.3097187	13.68133333	pos	"9R,10S-Epoxy-3Z,6Z-eicosadiene"	LMFA12000309	Lipids and lipid-like molecules	Fatty Acyls	Oxygenated hydrocarbons			49.5	53.3	M+NH4	C20H36O	-2.472461782	180981.5645	117248.0114	179088.5651	171878.0997	171401.1249	153188.4655	200413.8295	173969.6822	168600.2373	172920.2905	166010.2092	115844.6436	143952.94	161948.7026	136233.8993	140697.3419	178041.7909	184938.6596	155902.4084
2.01_297.1070n	296.0997709	2.012883333	neg	2-Methylguanosine	58332	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			49.5	56.1	"M-H, M+FA-H"	C11H15N5O5	-0.912905065	7049.438171	7248.186806	6871.601632	7567.609475	5855.206382	5959.557038	4870.557178	5906.382835	7310.75071	4363.443473	5000.474134	13106.38969	6038.463107	5697.922015	8159.450756	7461.303154	6824.420031	7589.412999	6694.888124
4.63_151.0387m/z	151.038736	4.62665	neg	3-Hydroxyphenylacetic acid	HMDB0000440	Benzenoids	Phenols	1-hydroxy-4-unsubstituted benzenoids	***	C05593	49.5	61	M-H	C8H8O3	-8.758293808	2999.866764	2928.499982	3188.463615	3507.70179	3705.765614	3596.148008	3186.777951	2586.31548	2819.86153	4084.809783	3401.617593	2488.780302	2970.875358	2811.105578	2713.228864	2451.323141	2303.452782	2763.397326	2385.783719
5.68_595.3481m/z	595.3480754	5.679633333	pos	(-)-Stercobilin	HMDB0240259	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Bilirubins	***		49.5	54.9	M+H	C33H46N4O6	-1.575208558	5767.993076	5964.887551	5228.857254	6709.226636	4923.548217	3306.815287	5146.445013	0.000297236	0.000297236	4318.328026	3078.361148	0.000297236	483.0513287	0.000297236	38340.31164	5057.841199	5400.860602	18962.95911	6655.568558
6.43_517.0986m/z	517.0985902	6.42565	neg	6''-Malonylcosmosiin	HMDB0037346	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			49.5	52.3	M-H	C24H22O13	-0.33617606	16536.05741	17720.0849	14813.3469	20417.3466	17140.40273	17520.45915	20909.63847	18541.75434	17512.56355	18451.63526	17166.86991	20662.97521	17348.42814	19460.42841	17348.45922	17407.72528	18743.57673	16905.74095	18733.11412
1.83_366.1425n	367.1497678	1.826466667	pos	Tetrahydropentoxyline	HMDB0029992	Alkaloids and derivatives	Harmala alkaloids	Unclassified			49.4	51.8	"M+H, M+Na"	C17H22N2O7	-0.572650782	143156.6066	155477.1903	151464.404	136432.3767	138288.8376	114902.3645	139049.1694	234417.9113	191762.0258	107388.5472	133893.9208	241615.8686	129678.6792	128247.2761	124790.797	131437.4807	138277.3858	122247.4908	131071.5006
10.88_437.2899n	438.2971371	10.88211667	pos	PE(P-16:0/0:0)	LMGP02070001	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			49.4	53.2	"M+H, M+Na"	C21H44NO6P	-1.747321376	831378.9059	830088.1348	858013.8036	887624.1936	908102.9797	892316.0033	937062.5106	760836.1587	946766.1218	739243.6427	859870.5517	983290.2986	1003780.152	993984.2533	872931.9224	870874.8195	829049.3519	838597.0065	910126.1254
3.95_294.1214n	295.1286716	3.952483333	pos	Glutamylphenylalanine	5573	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			49.4	51.3	"M+H, M+Na"	C14H18N2O5	-0.600071998	86235.23162	86176.54308	80569.99964	69948.15052	94187.22886	78698.01742	70209.76864	100419.1336	102856.3685	82259.85951	69775.33937	112020.0834	76353.32848	83154.50797	80094.53273	78764.69905	79939.93935	82233.56082	92204.74549
6.99_345.2055m/z	345.2055274	6.98875	pos	21-Deoxycortisone	70091	Unclassified	Unclassified	Unclassified			49.4	53.9	M+H	C21H28O4	-1.477074798	3887.682278	4154.097401	3938.361041	6020.035221	1220.991908	4802.056399	3908.985526	10966.64941	4817.724244	2053.502031	6534.061993	1399.578277	2563.316943	3694.032478	3307.352652	3454.666063	4759.996854	5130.003429	1206.336678
1.57_162.0582m/z	162.0581941	1.572783333	pos	S-Allyl-L-cysteine	71319	Unclassified	Unclassified	Unclassified			49.3	52.6	M+H	C6H11NO2S	-0.819361469	30763.0375	34998.39438	32352.46576	21839.66208	27515.29187	25531.56558	28353.57289	17096.21788	32559.67531	30686.16074	24904.76727	109576.9314	35007.51924	29105.00523	24890.94441	27233.96526	25119.27359	26587.91879	22499.67814
11.23_522.2835m/z	522.2834891	11.23078333	neg	1-Oleoylglycerophosphoserine	HMDB0061694	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines	***		49.3	53.8	M-H	C24H46NO9P	-0.483739557	41785.04644	43364.18074	43519.01916	48201.59501	47781.19555	49991.7906	46263.98694	45473.67484	44713.76237	45949.6263	46285.62362	62054.33245	50674.58536	50588.51779	46630.06158	55996.07313	54709.75936	57671.92012	53159.56914
4.44_293.1144m/z	293.1143519	4.4373	neg	Tyrosyl-Hydroxyproline	HMDB0029106	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			49.3	47.5	M-H	C14H18N2O5	0.192635573	643.2129087	766.6252813	754.5159281	154.7167478	247.3529365	367.103115	336.902085	4411.32331	3161.224626	309.293648	192.0909185	1574.813946	199.1827878	225.0124791	158.1880569	178.7360588	144.0969274	184.9807179	175.5546415
0.38_133.1011m/z	133.1010636	0.3825	pos	Tetralin	69808	Unclassified	Unclassified	Unclassified			49.2	49.8	M+H	C10H12	-0.857338278	59780.21266	43787.57145	47277.15794	49791.7948	47085.68734	51047.55403	49527.08843	51310.67426	48857.79108	49726.39863	56612.38456	44469.76239	45241.01701	42375.4773	45215.28882	44746.5822	42219.41722	47045.52964	43778.59364
0.38_157.1221m/z	157.1221352	0.3825	pos	6E-nonenoic acid	35101	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			49.2	49.5	M+H	C9H16O2	-1.095232393	97802.38626	115668.4008	96638.76861	98298.35708	91653.24822	100949.5416	99538.05411	101391.5249	94760.73917	101293.7662	99952.7578	112598.7294	112117.3889	102611.8701	107119.495	107612.3636	97571.92938	108054.4548	94494.29717
0.76_346.0557m/z	346.0557193	0.764266667	neg	Adenosine monophosphate	HMDB0000045	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides	***	C00020	49.2	52.1	M-H	C10H14N5O7P	-0.25556576	159862.2377	150590.608	157877.4664	127649.9677	187249.1662	192324.8338	217730.5882	151083.9176	152499.3436	221981.0563	191538.6521	119520.4931	157161.9644	151134.1286	179129.3315	145333.0715	157025.9023	140640.5525	141920.1168
1.08_244.0691n	289.0676327	1.081483333	neg	Pseudouridine	HMDB0000767	"Nucleosides, nucleotides, and analogues"	Nucleoside and nucleotide analogues	Unclassified	**	C02067	49.2	48.8	"M-H, M+FA-H"	C9H12N2O6	-1.949668028	958218.1423	1071996.043	1056128.941	1115423.532	1009921.328	1049603.684	1251409.567	1245303.544	1632527.599	966475.2382	1125660.86	1168689.307	920249.7596	1031618.98	942785.3307	994800.2054	928425.7981	966280.5301	1034204.766
11.02_321.2432m/z	321.2432188	11.01853333	neg	15(S)-HETrE	36268	Unclassified	Unclassified	Unclassified			49.2	51.2	M-H	C20H34O3	-0.930017121	15278.98253	15804.31561	16422.0233	18553.89519	9909.716715	15179.23184	13176.96615	25097.25274	13085.8717	10994.24005	14331.38411	23922.21897	16035.88568	18901.75991	20448.10424	17972.01163	18730.52853	21992.89258	21569.87284
9.69_512.2992m/z	512.2992355	9.687416667	neg	1-(2-methoxy-5Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine	LMGP02060018	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			49.2	54.1	M+FA-H	C22H46NO7P	-0.335539554	43733.59622	52597.93762	41346.39561	43696.7886	75342.5985	54659.93003	45012.03454	43822.46687	60327.58528	38836.63513	43161.87768	56343.07663	67470.2354	63626.8463	50875.28464	40764.80908	38342.86023	36787.22314	55504.10951
9.77_600.3268n	583.3235193	9.77185	pos	1-Stearoylglycerophosphoinositol	HMDB0061696	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols	*		49.2	51.7	"M+H-H2O, M+Na, M+H"	C27H53O12P	-1.093130039	474006.4855	504086.5903	569722.6358	532930.5149	537582.3789	568824.4633	549829.4321	538110.4538	389453.831	422275.3683	428229.1713	515947.8834	530206.6434	622022.935	645800.0383	550284.145	538421.9891	539032.7719	498802.4555
1.10_321.0692n	322.076487	1.0977	pos	Beta-Citryl-L-glutamic acid	HMDB0013220	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			49.1	54.4	"M+H, M+Na"	C11H15NO10	-1.199532315	17759.93229	15341.72868	14069.72103	9441.675107	9382.458555	2634.757258	9685.436406	44620.84693	62781.16683	2675.7876	10990.60299	42884.23767	8165.087993	11402.27236	7265.421546	6310.065212	8209.277957	9317.046086	7596.477261
10.87_436.2831m/z	436.283084	10.87058333	neg	1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoethanolamine	LMGP02060011	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			49.1	50.3	M-H2O-H	C21H46NO7P	-0.58049644	393506.7163	314861.7626	352450.3236	373840.0763	409622.6332	392140.6625	418119.9391	357070.7217	433368.1973	336640.8549	395879.3741	418215.7806	477657.5449	444866.7891	366495.2756	370771.6502	360693.8641	374927.5753	400779.2769
3.66_362.0997m/z	362.0997069	3.65905	pos	Rutagravine	HMDB0033446	Organoheterocyclic compounds	Quinolines and derivatives	Benzoquinolines			49.1	61.3	M+Na	C19H17NO5	-0.549694562	32676.66689	36089.79413	34067.56032	40216.94638	31764.84781	28669.55025	23242.07635	50742.1386	56080.43597	33489.90101	36694.50291	48269.27983	27560.92712	35849.45369	35597.81305	38287.01012	30105.02381	27913.51909	26140.97222
1.06_204.1229m/z	204.1228589	1.062216667	pos	L-Acetylcarnitine	HMDB0000201	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	***	C02571	49	48.3	M+H	C9H17NO4	-0.864291843	676334.7832	639281.9117	653983.8406	706493.1427	643601.2213	808499.1466	721577.2547	797116.4413	626533.1044	664106.1609	550752.8754	687763.6953	667566.4084	566711.9644	622739.4899	612387.0542	757407.1119	521632.3831	558378.2451
10.57_590.3465m/z	590.3465205	10.57313333	neg	"PC(20:3(5Z,8Z,11Z)/0:0)"	LMGP01050139	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	*		49	47	M+FA-H	C28H52NO7P	0.326375062	129491.3686	118685.6507	129309.434	148376.6457	175503.3716	138947.7751	166536.3408	93429.99367	140697.3529	118503.7532	137831.6969	155143.9371	205977.1004	176735.1643	174016.9113	153117.8971	161116.201	130278.7021	201407.2888
11.15_298.2734m/z	298.2734111	11.14863333	pos	17-octadecynoic acid	LMFA01030575	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			49	52.7	M+NH4	C18H32O2	-2.300635489	20101.27299	17805.95742	20426.38905	18268.97246	25799.92141	16794.33466	25979.59724	26169.94102	18155.04891	23496.39956	18527.76198	15631.32896	17042.48046	23738.7353	16845.84445	18364.60934	15994.92431	18851.72121	22027.28415
3.97_262.1185m/z	262.1184768	3.973566667	pos	Glycyl-Tryptophan	85761	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			49	51.6	M+H	C13H15N3O3	-0.539885637	2864.91166	3041.056319	2517.001253	1364.295871	5202.054703	2016.130563	3925.054362	586.8024593	788.5605986	4796.949922	2797.205041	704.7946056	3661.78561	5388.021425	4014.512219	3890.222842	4006.632616	1812.381772	3331.596868
7.29_446.1209n	469.1100571	7.292166667	pos	Luteolin 7-methyl ether 4'-rhamnoside	LMPK12111039	Lipids and lipid-like molecules	Polyketides	Flavonoids			49	49.3	"M+H, M+NH4, M+Na, M+H-H2O"	C22H22O10	-0.953680784	129151.114	132870.6441	130174.1525	134542.2413	132201.9446	135218.0745	139359.4027	131771.1359	130504.0069	134015.6334	141522.3666	138811.4877	136810.8416	133185.2596	141961.9475	139067.3753	132548.6128	130699.8259	130048.379
8.29_352.2250n	351.2176157	8.290383333	neg	Prostaglandin E2	HMDB0001220	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	***	C00584	49	49.5	"M-H2O-H, M-H"	C20H32O5	0.007215499	15823.01963	13707.32483	16800.99805	18255.67235	9706.01216	20559.80109	16819.98666	3572.157488	2201.549529	9897.811673	9261.558825	7772.403045	14445.32109	18532.90327	17041.08464	14205.52435	16283.62528	17200.37391	16006.10501
9.13_597.3643m/z	597.3642908	9.128083333	pos	Kurilensoside H	LMST05050017	Lipids and lipid-like molecules	Sterol Lipids	Steroid conjugates			49	53.7	M+H-H2O	C32H54O11	1.573184642	1236.186394	2288.507927	1950.049286	1555.518872	1321.084934	1066.425755	2538.719508	0.000297236	0.000297236	1591.508441	1521.981518	0.000297236	203.1161472	0.000297236	14800.79454	2143.336611	1680.411664	5613.655294	1959.162009
0.44_121.0651m/z	121.0650956	0.439416667	pos	"2,3-dihydrobenzofuran"	85270	Organoheterocyclic compounds	Coumarans	Unclassified			48.9	48.5	M+H	C8H8O	2.534646199	298960.0892	248509.2819	264649.1393	282736.7183	279497.8836	316201.1005	340360.3415	354600.2662	328445.0472	337356.3926	321997.9314	244352.6434	250072.1461	254183.299	267504.8312	273843.0341	251616.7488	281200.1237	247655.5073
0.80_189.1233m/z	189.1232587	0.798133333	pos	Nε-Acetyl-L-lysine	63103	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C02727	48.9	50.1	M+H	C8H16N2O3	-0.585402641	29265.31612	31926.13086	29790.09883	36145.39419	26709.5404	26258.42634	32365.72993	26296.22721	21058.66424	28369.28042	32308.25332	32829.41908	38264.61722	36686.35063	28660.95821	26925.09952	27516.46577	31988.76978	40210.92375
10.30_278.1878n	277.180547	10.29658333	neg	"12-oxo-5E,8E,10Z-heptadecatrienoic acid"	LMFA01060111	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			48.9	50.1	"M-H, M+FA-H"	C17H26O3	-1.334424633	10027.98742	12138.42635	10179.59349	17518.61882	4324.304705	13405.15193	6556.503124	3832.084815	3322.008769	2699.919696	7988.314904	8794.245107	9316.822611	5918.710396	17468.93541	8513.782518	9635.310641	21283.92274	15496.52507
11.07_255.2313m/z	255.2313326	11.06651667	pos	11Z-hexadecenoic acid	34926	Unclassified	Unclassified	Unclassified			48.9	56.8	M+H	C16H30O2	-2.061413849	5428.252709	4726.859111	4402.124914	4901.979296	5905.304312	5589.937166	4730.181336	5301.877094	5376.875086	5367.922568	5110.851543	4530.127799	5100.530256	4727.990255	4830.335431	5119.702343	4083.506489	5009.408566	5563.099706
11.50_362.2682m/z	362.2681624	11.50115	pos	NAGly	36676	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			48.9	53.5	M+H	C22H35NO3	-2.236760778	11166.1085	10078.61728	12256.73722	14423.27805	11925.16529	15033.07225	8232.890239	6734.911958	7036.206431	12163.43812	9200.004038	12722.35956	11132.39792	11327.3938	11240.64264	12939.40549	13563.46971	14533.14002	10039.88398
5.24_242.0799n	243.0871959	5.239933333	pos	Lumichrome	64742	Unclassified	Unclassified	Unclassified	***		48.9	49.5	"M+H, M+Na"	C12H10N4O2	-1.884321259	29878.6897	31936.04892	31365.7641	41022.48474	30226.86512	32303.17863	28152.93187	29604.7263	26415.07067	32804.44611	33722.18591	30797.74514	31990.80678	30761.06988	35116.82144	33839.47043	33246.60283	36501.31193	32674.50217
11.15_506.3603m/z	506.3603311	11.14863333	pos	PE(21:0/0:0)	LMGP02050026	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			48.8	51.4	M+H-H2O	C26H54NO7P	-0.325497886	26611.77318	38913.99204	29631.10108	25404.82352	30406.52362	33342.92971	22642.33413	48812.67683	37440.19235	23688.64676	20310.53046	43242.9664	38137.64344	36583.81511	44253.19967	38071.02345	37608.3825	33976.01052	26186.06649
15.72_371.1004m/z	371.1004307	15.71671667	pos	Eszopiclone	HMDB0014546	Organoheterocyclic compounds	Pyrrolopyrazines	Cyclopyrrolones			48.8	65.8	M+H-H2O	C17H17ClN6O3	-3.471293648	594688.7086	672437.496	564064.9037	608092.53	590708.4051	573330.435	597520.6959	541898.4102	550318.8475	566500.3906	656995.4841	649881.5916	639733.2128	607166.93	644915.413	653165.1828	604843.5513	575226.9284	599189.5073
2.25_290.1595m/z	290.1594974	2.2544	pos	3-Methylglutarylcarnitine	HMDB0000552	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		48.8	47.6	M+H	C13H23NO6	-1.094458716	122040.1853	127767.6365	119393.573	70859.93288	138947.8778	236035.2114	51076.80072	387565.1824	312399.7351	140152.0296	58237.73266	84754.27857	75886.19712	68328.98322	64571.1184	61308.19927	63586.64284	73483.57131	73786.25205
4.41_375.1296m/z	375.1295845	4.410033333	pos	Gardoside	71465	Unclassified	Unclassified	Unclassified			48.8	52.3	M+H	C16H22O10	2.702680005	4893.341544	4813.570765	4847.463234	6377.36605	3690.009126	5154.990073	3997.276327	3667.427229	3097.91208	3702.091106	4564.014161	5575.667264	5632.050871	4530.173548	6696.672339	6491.176299	5365.845225	6057.220393	4600.335025
4.65_217.1074m/z	217.1074088	4.647516667	neg	8-oxo-nonanoic acid	LMFA01060159	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			48.8	50.7	M+FA-H	C9H16O3	-4.290789086	1493.569291	1530.655034	1612.625937	522.1092929	1025.166318	857.5834565	548.4380408	11855.39316	2344.742664	680.9292132	676.5142412	566.2664326	744.1824994	684.4917946	660.3994405	595.8411013	593.6341005	497.2047387	647.5567689
9.05_288.2892m/z	288.2891984	9.048016667	pos	C17 Sphinganine	41558	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			48.8	50.1	M+H	C17H37NO2	-1.766252851	23216.01471	22601.47947	21712.36477	20123.58259	13039.68359	13320.42272	13688.45563	12780.01441	11856.44222	11576.91698	16828.86886	13453.46951	12659.41824	15787.87124	13204.80495	12392.47801	14007.28265	13671.98834	13898.46054
1.02_194.0813m/z	194.0813262	1.022333333	neg	"2-(2,6-dihydroxy-3,4-dimethoxycyclohexylidene)acetonitrile"	HMDB0125517	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			48.7	52.3	M-H2O-H	C10H15NO4	-4.414111101	708.896798	813.322251	837.5284735	0.000297236	322.7511725	0.000297236	0.000297236	0.000297236	6562.636612	0.000297236	0.000297236	5177.485975	0.000297236	90.6233069	0.000297236	0.000297236	43.35277636	24.98398718	0.000297236
11.79_403.2835m/z	403.2834766	11.78948333	pos	"MG(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	62340	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	*		48.7	51.7	M+H	C25H38O4	-2.012395168	42387.02328	34232.54459	44205.94247	48243.88981	38084.21309	46138.61686	40966.87713	66001.27173	54622.27621	40962.95556	47755.91221	39798.2948	37355.07934	44955.05893	46943.79071	40493.73927	36197.58473	36563.97624	40281.9172
5.10_359.1248m/z	359.1248327	5.103283333	neg	Dityrosine	HMDB0006045	"Lignans, neolignans and related compounds"	Unclassified	Unclassified			48.7	46.8	M-H	C18H20N2O6	-0.075674071	3553.608646	4089.916008	4069.507155	3081.771567	9740.351627	4157.015409	3346.051513	2610.011085	2995.180048	5119.359292	2605.19167	4212.038769	2051.50394	1979.422021	3558.315391	5190.299012	3164.372659	4273.297165	4572.415675
6.10_496.2721m/z	496.2721234	6.101366667	pos	Sulfolithocholylglycine	HMDB0002639	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	*	C11301	48.7	57.6	M+H-H2O	C26H43NO7S	-1.192490742	1795.916606	2035.294586	2352.29309	1122.003998	590.3240038	1946.706899	168.857493	0.000297236	778.971013	1543.726941	315.8591081	0.000297236	255.9766322	636.0780133	13385.17658	622.6227579	1563.716363	8944.171424	1303.146704
9.71_919.5332m/z	919.5332159	9.708266667	pos	"PI(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))"	LMGP06010472	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositols			48.7	60.1	M+Na	C48H81O13P	2.806295627	10887.94979	13064.66587	13456.96713	12025.95845	13227.5321	15665.29812	7635.767291	30963.96186	22895.9074	8894.148907	9316.850901	14943.80546	8248.248011	7477.143198	10225.99834	10383.68787	7662.877682	8623.198734	10199.33723
0.63_110.0715m/z	110.0715449	0.62635	pos	4-Pyrimidine Methanamine (hydrochloride)	45035	Unclassified	Unclassified	Unclassified			48.6	51.6	M+H	C5H7N3	2.487105994	40520.88708	42629.59208	39653.33395	43814.44303	42591.58741	38233.16086	37055.08705	36377.56949	35564.8751	38975.69172	38411.41538	44040.06446	47914.68856	42113.1185	43852.17743	46217.25377	42921.74709	45168.06069	49947.17269
0.63_308.1582n	309.1654507	0.62635	pos	1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose	HMDB0034879	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	*		48.6	47.8	"M+H, M+Na"	C12H24N2O7	-0.573940376	72750.13138	75028.52945	69744.0183	83066.86828	77469.22696	89620.98184	55945.04223	67451.50656	63000.57558	94391.94144	64810.08483	100892.613	62786.71856	68925.19736	70038.62433	77085.29547	66954.22966	79288.35548	76007.61059
1.06_280.0685m/z	280.0684599	1.063433333	neg	8-Hydroxyguanosine	HMDB0002044	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			48.5	47.1	M-H2O-H	C10H13N5O6	-0.943307514	170881.1253	193203.6576	175244.4088	155360.6283	194925.5116	246038.9971	138346.3435	129183.6178	110712.7192	214408.973	136079.5742	269653.7584	168340.7436	170987.6138	219739.5886	233209.8625	211949.6343	198573.5897	169070.9019
1.18_491.1935m/z	491.1935073	1.1797	neg	Estrone 3-glucuronide	LMST05010011	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	**	C11133	48.5	51.7	M+FA-H	C24H30O8	2.771240386	230358.6805	208404.0788	206458.8751	220152.5258	199837.9369	195855.5603	227763.4892	176031.2984	155570.2651	200549.2367	208507.0523	194367.2994	252109.3295	220831.6425	222719.9085	235983.0511	218257.2148	259904.4589	254353.3858
2.16_310.1281m/z	310.1281224	2.15675	pos	Tranylcypromine glucuronide	2897	Unclassified	Unclassified	Unclassified			48.5	55.6	M+H	C15H19NO6	-1.266035287	3978.66782	4322.671812	4147.705524	4389.386266	3873.284038	3826.954118	3702.464825	6124.572327	5902.069689	3472.969447	4242.268151	6936.329436	3339.1983	4817.518718	4123.423546	3710.23789	3529.597838	4108.270049	4239.908183
5.12_554.2752m/z	554.2751576	5.123166667	pos	Endomorphin-2	HMDB0005774	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			48.5	57.5	M+H-H2O	C32H37N5O5	-1.791514851	2086.852763	3003.438529	2985.486103	824.0305043	3037.02979	3348.83141	3319.991003	4914.151622	9529.116043	1629.367585	3436.04144	10024.45781	1616.480675	941.8478177	575.5838739	286.6120511	781.5822575	880.6524764	1058.561409
5.68_347.1861m/z	347.1861366	5.679333333	neg	2-Methoxyestradiol	HMDB0000405	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids	**	C05302	48.5	46.2	M+FA-H	C19H26O3	-0.863649514	662.6526014	628.5514432	664.7916901	0.000297236	0.000297236	0.000297236	0.000297236	7026.088496	2406.366151	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	304.4611982	290.5060459	75.66781108	492.8792144	0.000297236
9.07_344.2790m/z	344.2789767	9.068933333	pos	Dodecanoylcarnitine	34490	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		48.5	48.8	M+H	C19H37NO4	-1.626721552	24577.34924	25537.79754	25148.68491	27780.99321	29447.47966	18659.68677	25630.87407	33559.39981	51073.59593	14170.21016	28242.9468	49110.9466	24251.37032	22023.91281	25403.86095	21936.45149	14104.79536	14216.43506	21675.78502
9.21_257.1756m/z	257.1756336	9.214166667	neg	Tetradecanedioic acid	5833	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		48.5	47.5	M-H	C14H26O4	-0.771817468	3649.892139	3527.453246	4291.318847	2875.536777	5807.243363	5553.88706	2388.098064	6916.047902	4722.309102	3206.178607	2249.01446	2311.964245	5280.023649	3670.845041	3257.069464	2539.768823	2741.955061	2454.503777	4543.333564
0.82_146.0269m/z	146.0268971	0.816033333	pos	"3,4-Dehydrothiomorpholine-3-carboxylate"	66183	Unclassified	Unclassified	Unclassified			48.4	47.2	M+H	C5H7NO2S	-0.888034681	79720.23222	83815.21749	77277.58286	79753.081	62777.92111	82895.33866	68613.80815	64614.37155	61940.6505	69457.18025	104083.9314	74121.223	84519.94986	93351.96977	107834.2758	102157.7901	76865.08147	77612.44108	100510.8113
0.99_347.0629n	348.0702025	0.9872	pos	Adenosine 2'-phosphate	62385	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C00946	48.4	46.9	"M+H, M+Na"	C10H14N5O7P	-0.456394829	173282.9769	188714.5084	184036.9004	140703.1224	220548.0337	216299.5639	215171.1524	149883.3434	163400.1909	245215.3663	186602.0527	167126.4546	193188.3982	189361.5494	201021.2666	178336.4027	185505.4452	151009.4242	162724.574
1.22_299.0767n	300.0839317	1.219283333	pos	D-4'-Phosphopantothenate	3427	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C03492	48.4	47.7	"M+H, M+Na"	C9H18NO8P	-1.16334931	141642.0378	146090.0819	138917.7914	159830.1639	144603.4223	127869.7772	146002.9281	43779.35915	56649.00779	148603.5186	140256.3691	111475.7151	187609.6714	187562.1769	192500.7401	170134.5724	165146.3006	167035.5571	175227.4347
1.26_269.0876m/z	269.0875976	1.25845	pos	Allopurinol-1-ribonucleoside	867	"Nucleosides, nucleotides, and analogues"	"Pyrazolo[3,4-d]pyrimidine glycosides"	Unclassified			48.4	45.5	M+H	C10H12N4O5	-1.672492283	2991660.136	3332410.684	3199068.912	3275068.012	3945308.425	3819589.501	3842233.344	2032350.298	2251477.792	4027092.767	3440184.222	1529874.443	3468813.792	3215112.399	3722682.307	3200279.259	3249942.997	2937125.873	3243112.728
1.32_312.0949m/z	312.0949338	1.317533333	neg	Vidarabine	HMDB0014340	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified		C07195	48.4	44.8	M+FA-H	C10H13N5O4	-0.086149668	76490.23282	68331.34923	61357.0807	117532.323	53260.36437	106790.8901	83082.06087	86965.52668	56894.1884	76578.16766	62342.89249	43215.25402	54011.83289	48608.70808	57578.81712	60810.02337	55810.99265	88188.05987	66384.80788
10.24_294.2422m/z	294.2421756	10.23813333	pos	19-Nor-5-androstenediol	HMDB0004590	Lipids and lipid-like molecules	Steroids and steroid derivatives	Estrane steroids			48.4	48.8	M+NH4	C18H28O2	-2.099957168	13945.38128	14626.46918	14826.30807	9860.201267	25262.64306	5463.645966	36858.44491	33582.38389	8570.822335	28417.99775	8430.671907	6502.221083	18038.28991	21146.06177	6030.410887	5779.64463	6930.968888	7710.023213	11467.86436
13.47_317.2468m/z	317.2467801	13.47398333	pos	Tetrahydrodeoxycorticosterone	LMST05030013	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	**	C13713	48.4	51.2	M+H-H2O	C21H34O3	-2.173804565	6315.226515	4803.186665	5351.15996	9741.334354	4256.768368	10699.71106	8654.900154	2006.964453	706.1896453	4715.542337	4377.296927	1164.512	7473.423303	5597.586873	4763.689935	6005.777102	4383.922204	7318.666903	13792.22066
3.30_247.1285m/z	247.1285256	3.295016667	pos	Aspartyl-Isoleucine	85670	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			48.4	48.4	M+H	C10H18N2O5	-1.310342753	2513.951894	2549.694596	2339.501602	1829.383813	2387.055209	6941.069404	1915.801935	1903.863037	2140.223214	5536.981032	1543.985441	2610.809457	1676.398896	1816.880947	2296.671183	1535.448502	2073.463575	1833.425417	1468.132535
3.55_379.1146m/z	379.1146202	3.554916667	neg	Cappariloside A	HMDB0034937	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			48.4	47.2	M+FA-H	C16H18N2O6	-0.206465154	4282.432423	4835.976521	4699.608227	5202.688967	4197.013445	11275.08892	2234.393342	5167.186739	5928.176819	5012.340179	4165.970682	4916.653342	4363.967332	2672.356705	3506.361282	4237.317833	2150.432641	3413.673054	2957.781945
0.44_152.0836n	135.0803337	0.439416667	pos	"2,6Z-Nonadien-4-olide"	97380	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			48.3	43.5	"M+H-H2O, M+H"	C9H12O2	-0.70801703	207932.6039	167545.2125	178939.4631	181983.7644	172160.6322	185412.2686	186628.8482	191020.5936	180033.2262	188602.8729	202167.3137	167877.6363	169940.9866	163162.4731	172449.8481	172873.4156	163819.7532	181155.0576	165023.8685
1.26_536.1609n	559.1500444	1.25845	pos	"1,4-beta-D-Glucan"	HMDB0006944	Unclassified	Unclassified	Unclassified			48.3	49.9	"M+H, M+K, M+Na"	C18H32O18	3.866867943	3430270.414	4161060.252	3739485.771	3944513.006	5171413.015	4714798.023	5150701.067	1728647.473	2128684.064	5408545.055	4069298.912	1034930.193	4392759.883	4124272.383	4942940.694	3857416.85	3897265.229	3476362.069	3906032.231
10.21_285.2070m/z	285.2070376	10.21133333	neg	Hexadecanedioic acid	5642	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C19615	48.3	48.4	M-H	C16H30O4	-0.333196487	1962.076977	2133.699099	2175.431644	1287.352743	3248.147149	3176.922326	1469.491798	4379.785422	2807.648402	2792.723962	1567.529926	1473.941169	1688.565848	1450.045421	1918.035698	1573.176893	1751.670477	1256.633896	1836.375724
10.88_572.3703m/z	572.3702557	10.88211667	pos	"PC(22:4(7Z,10Z,13Z,16Z)/0:0)"	LMGP01050124	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	48.3	47.6	M+H	C30H54NO7P	-1.418355008	81961.2039	88377.549	84531.91984	82038.59566	83483.89935	73086.30339	90969.69321	97686.76052	129340.8648	62559.77828	81635.62483	167357.4783	91041.35029	91093.79741	103036.9922	97568.96106	101647.3259	94434.13017	87449.92982
11.97_302.2243n	301.2170246	11.97475	neg	"5,6-dehydro Arachidonic Acid"	35293	Unclassified	Unclassified	Unclassified			48.3	46.2	"M-H, M+FA-H"	C20H30O2	-0.923879755	20583.76844	19513.30868	17913.2439	22607.0267	36776.50387	22918.63114	21282.14046	17731.15242	26763.92197	28291.64525	18056.84288	17384.23217	37707.51988	33403.98741	25894.38626	19232.40438	19414.26745	17577.39319	33913.21834
10.00_311.2228m/z	311.2227821	9.9998	neg	9(S)-HpODE	36019	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	**	C14827	48.2	48.7	M-H	C18H32O4	-0.00300218	6162.526243	10864.11896	8636.811293	3016.466295	8140.132732	3646.737196	4218.009272	3499.599935	4023.658305	2759.458338	3669.308045	5279.430851	4887.579633	2804.190625	3748.256386	3989.978634	3196.103194	3564.340495	3109.883368
2.57_358.0960n	359.1033138	2.567616667	pos	D-Pantetheine 4'-phosphate	398	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C01134	48.2	49.7	"M+H, M+Na"	C11H23N2O7PS	-0.89728156	30154.00343	33503.20528	31761.92089	21145.75054	33863.31527	31310.45805	55406.44846	55424.24439	57802.92164	37855.1275	35849.61841	14806.28531	30927.09656	28644.74115	21748.25489	21902.80928	25056.88991	11332.60013	17120.27637
5.19_204.0657m/z	204.0657006	5.189216667	neg	Cinnamoylglycine	34534	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			48.2	50.3	M-H	C11H11NO3	-4.467804004	545.6413397	618.1712752	572.7626476	414.6991401	1005.740753	3585.192799	328.9498467	125.6747716	152.0521592	1186.181159	334.0610774	108.4282058	246.8131005	236.3638225	1314.293528	810.0735316	966.9599327	457.0572159	353.3068791
7.55_316.2477m/z	316.2477431	7.551466667	pos	Decanoylcarnitine	HMDB0000651	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	***		48.2	47	M+H	C17H33NO4	-1.560336835	7344.900437	7632.761007	7645.598294	7553.5316	8081.439154	6716.730288	8527.517516	5558.009558	9867.73123	7939.428291	10216.28711	9262.69533	6137.179373	5617.288123	8832.845275	7577.769243	6613.496291	5432.521338	7395.912449
8.87_361.2732m/z	361.2732173	8.868133333	pos	"MG(20:4(8Z,11Z,14Z,17Z)/0:0/0:0)"	HMDB0011579	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	*		48.2	49.3	M+H-H2O	C23H38O4	-1.332825613	2533.329757	2965.162803	2940.239135	3699.18405	1486.856105	2624.311746	5234.439794	0.000297236	0.000297236	5591.48557	6384.592588	0.000297236	426.0351224	935.7272274	8313.387749	5670.370603	5269.277236	6549.861516	609.340805
9.07_335.2207m/z	335.2207406	9.068933333	pos	delta-12-PGJ2	3815	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C05958	48.2	52.4	M+H	C20H30O4	-2.828195544	2267.971289	2100.133749	2324.499302	2697.111082	1826.579101	2527.539126	2101.104132	2234.779113	1554.214924	1959.522497	1949.747835	5961.822779	1862.922473	1792.535102	1472.476247	2873.068312	2616.587149	1822.902171	2784.053855
0.75_259.0921m/z	259.0921144	0.7465	pos	Ribothymidine	85160	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	Unclassified			48.1	45.6	M+H	C10H14N2O6	-1.349043059	122129.02	126326.6674	112997.1195	82689.60126	143442.4377	185272.4914	67656.33657	389565.8331	174034.3022	138626.2001	65770.15463	132789.8643	69886.82758	64596.49104	57894.18578	70259.05714	77274.06575	75519.19217	63948.05149
1.10_356.0986m/z	356.09861	1.098716667	neg	2-Methoxyacetaminophen glucuronide	HMDB0240215	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			48.1	44.7	M-H	C15H19NO9	-0.265226344	22411.5334	25272.42475	24008.23428	32030.54516	23216.26802	58928.81751	14612.61297	26312.86019	33554.18806	28759.72787	26223.38886	22738.34907	20482.35779	13854.21522	16623.56134	21313.76339	13266.54868	19093.38859	15115.62479
1.14_313.1158n	314.1230884	1.13905	pos	Tyramine glucuronide	HMDB0010328	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C03033	48.1	46.3	"M+H, M+Na, M+H-H2O"	C14H19NO7	-1.085765568	153290.4581	170382.6614	149974.7285	193634.6432	121993.5785	154585.8128	106087.0813	114335.005	117413.9084	147403.1653	152918.1076	148724.7969	157403.9645	159587.322	201080.8154	182983.1632	154899.9205	206641.0796	198251.4509
1.30_410.2531m/z	410.2531399	1.296916667	pos	14-Hydroperoxy-H4-neuroprostane	HMDB0062292	Unclassified	Unclassified	Unclassified			48.1	47.9	M+NH4	C22H32O6	-1.464472738	115282.2325	100986.0631	121155.0094	119741.217	113876.6133	119109.298	106132.3579	96346.38365	90374.0528	106723.6095	104437.6869	105090.2248	116344.3661	116300.1098	110079.6203	115965.1924	109067.0985	120172.9012	136448.2837
1.76_297.1072n	296.0999018	1.760316667	neg	7-Methylguanosine	64620	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			48.1	47.6	"M-H, M+FA-H"	C11H15N5O5	-0.472388481	4530.961272	4863.019882	4906.114183	5673.74685	4286.801037	3927.83391	3611.097754	5523.986514	5314.287818	3196.834302	4009.501951	8075.39192	4595.258039	4182.927767	5621.206871	4897.285056	4619.777302	5014.466546	5167.897596
10.13_493.3164n	494.3236441	10.13265	pos	LysoPC(16:1(9Z))	61693	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	48.1	46.2	"M+H, M+Na"	C24H48NO7P	-0.956436332	82161.86615	93267.25533	86969.34062	77337.21327	153563.3004	111049.1218	75158.17532	88391.55288	146711.7227	101247.7085	75736.7442	124756.1554	125601.9758	111154.6071	102069.6415	83458.54216	96481.5153	80693.52946	103888.7363
10.44_366.3361m/z	366.336063	10.44185	pos	"(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl octanoate"	LMFA07010547	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			48.1	46.2	M+NH4	C23H40O2	-1.702637687	20006.09001	19551.04436	18742.93111	17951.56882	20312.34275	27183.53319	19178.13947	7121.085394	8841.505963	14975.01655	16912.35303	14793.35481	26213.16297	23944.55287	19234.84031	21876.00376	22142.77343	28187.85565	22538.27746
10.73_291.2312m/z	291.2311657	10.73445	pos	"3,4-Dimethyl-5-pentyl-2-furanoctanoic acid"	HMDB0112096	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates			48.1	48.8	M+H-H2O	C19H32O3	-2.241664001	3438.298992	3415.977566	3478.239403	3658.741703	1437.0131	2217.718003	1647.767278	9633.608654	3660.969642	1568.547009	2091.149527	6636.559747	1122.981667	3510.256711	3479.043159	3400.346911	4360.00608	4632.565559	2407.88573
11.49_481.3165n	480.309197	11.48636667	neg	PE(18:0/0:0)	LMGP02050001	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			48.1	42.2	"M-H, 2M-H"	C23H48NO7P	-0.760598785	2298241.272	2071036.521	2227529.315	2463859.447	2404448.024	2209239.86	2371216.206	1484525.614	1822817.591	1778040.986	2242184.574	2378125.151	3044533.099	2789012.766	2134587.708	2517556.183	2387242.032	2306229.142	2652893.879
12.79_552.4016m/z	552.4016142	12.78598333	pos	LysoPC(20:0)	61700	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	48.1	52.6	M+H	C28H58NO7P	-1.363899863	71052.73728	71199.9556	80521.89811	72925.39004	77183.3146	84582.78554	87262.55674	61737.74602	61636.28495	73337.74198	68848.57046	65778.50602	82899.79808	80289.16783	81278.97721	76341.52845	90867.75665	73778.7076	81642.7184
2.18_326.1456m/z	326.1455867	2.17695	pos	2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin	HMDB0041337	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			48.1	48.8	M+H	C12H23NO9	3.164671944	13529.1814	15091.67144	13551.21668	16634.83603	11266.46197	9006.188795	8373.737222	18916.93314	15734.56034	7599.218376	9352.643954	28712.19193	10630.69613	11029.81502	18016.55312	18428.52075	13816.47257	17192.9115	13322.41214
2.33_340.1036m/z	340.1035542	2.330883333	neg	Prunasin	HMDB0034934	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C00844	48.1	44.9	M+FA-H	C14H17NO6	-0.799544063	21943.49605	21831.59424	22489.5286	27737.37689	20081.63177	56061.05216	13103.2433	35414.29894	39507.56096	26366.90506	20277.81923	23153.27644	18845.69895	13163.27704	14273.62652	18064.85316	11026.78294	15789.26738	12322.04883
0.63_188.1757m/z	188.1756886	0.62635	pos	N1-Acetylspermidine	3323	Organic acids and derivatives	Carboximidic acids and derivatives	Carboximidic acids	*	C00612	48	44	M+H	C9H21N3O	-0.267717725	26566.24677	25438.17939	24834.00997	21254.08863	22986.60646	18251.71865	30701.50072	28098.15865	17362.10994	19386.78519	26461.83669	16053.95195	28886.55711	35335.51628	23125.92205	24964.82834	31923.33538	19446.22233	32961.03884
0.76_238.0377m/z	238.0376556	0.764	pos	S-Cysteinosuccinic acid	86255	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			48	49.1	M+H	C7H11NO6S	-1.387551924	57218.49179	60807.69414	56985.68537	42366.09237	59359.56271	71138.26219	92734.66447	25967.40507	28757.32954	110247.8421	54914.00392	26970.36618	68873.16371	91336.80399	56525.71793	54940.90303	60775.12214	26111.08135	47741.08209
1.26_152.0565m/z	152.0565387	1.25845	pos	Guanine	315	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	**	C00242	48	46.3	M+H	C5H5N5O	-0.976557026	59526.11546	63199.63839	58560.7946	89548.05351	71636.99431	66153.32525	86543.23353	65025.07166	85722.57355	57716.35111	89235.2698	40037.85519	61634.13405	59046.93737	42312.12372	45327.73964	46266.81088	47301.00134	34819.45304
11.38_331.2625m/z	331.26246	11.37623333	pos	"7,10,13,16,19-docosapentaenoic acid"	34852	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	**	C16513	48	47.9	M+H	C22H34O2	-2.109784844	7556.102449	6562.236061	7973.626076	6707.187859	3577.273357	4739.067847	4215.973183	23369.854	12185.08312	2881.138682	5296.053336	21084.84196	5449.73042	6848.568913	8055.681969	7201.130694	8026.579625	8898.607241	6802.587482
4.04_456.1045n	455.097318	4.038033333	neg	Flavine mononucleotide (FMN)	2301	Unclassified	Unclassified	Unclassified			48	45.5	"M-H2O-H, M-H"	C17H21N4O9P	-0.318783517	46091.59563	45646.66317	40835.36604	47746.92709	44320.33414	52216.60667	42478.71887	41719.42439	43675.21817	48761.41259	42534.4588	36280.40302	39221.9503	37535.72464	38376.65362	40574.4517	40888.7962	49377.34361	42021.44725
6.97_263.1287m/z	263.1287234	6.967566667	neg	γ-CEHC	44822	Organoheterocyclic compounds	Benzopyrans	1-benzopyrans			48	46	M-H	C15H20O4	-0.603082873	968.6436022	1532.913655	1397.982621	874.7553248	1946.445798	2172.387391	1089.288825	334.7271755	594.0437686	2379.196811	633.0405081	874.168273	926.1983368	1369.048961	1098.358993	884.7296732	863.7135517	1067.127859	1190.152855
7.20_335.0596m/z	335.059608	7.196716667	neg	[6-hydroxy-2-methoxy-3-(3-phenylprop-2-en-1-yl)phenyl]oxidanesulfonic acid	HMDB0130346	Phenylpropanoids and polyketides	"Linear 1,3-diarylpropanoids"	Cinnamylphenols			48	46.5	M-H	C16H16O6S	0.372696322	2166.024027	3200.103274	2501.493112	674.3397224	2844.791048	14334.62379	227.3357979	31.83897377	92.81345016	18598.97828	394.2114079	319.536986	1930.426722	365.5537311	556.3529936	40.08233467	140.4893574	381.1861518	373.5218146
9.54_239.1284m/z	239.1284378	9.544916667	neg	Cucujolide IV	LMFA07040036	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			48	44.6	M+FA-H	C12H18O2	-2.291757853	31896.94612	29670.52695	32334.95033	26990.71535	29300.47774	24815.52227	33405.44211	29164.52075	27921.63381	32448.94886	34762.84307	28389.61154	29308.68489	29830.80995	29593.76411	29380.71446	27363.70144	27179.63643	32019.28589
0.71_126.0219m/z	126.021948	0.712233333	pos	Taurine	31	Organic acids and derivatives	Organic sulfonic acids and derivatives	Organosulfonic acids and derivatives	**	C00245	47.9	47.2	M+H	C2H7NO3S	0.059830631	469796.2538	518926.4575	490760.4176	499287.6702	559358.5275	499150.2432	475579.8804	742503.8377	611034.6159	464047.4418	477435.3436	559329.6842	447410.3655	445139.2632	452118.4946	480314.6896	437797.1392	431302.8502	399597.6455
1.30_361.1067m/z	361.1066746	1.297066667	neg	Isochamanetin	LMPK12140146	Lipids and lipid-like molecules	Polyketides	Flavonoids			47.9	54.1	M-H	C22H18O5	-4.066871276	118866.7168	88937.31945	85134.76257	100059.0519	86904.34316	79945.68622	89420.17315	82498.71864	71531.27386	78170.48769	94475.92328	101248.0226	100952.0342	95187.3397	98527.91363	100256.8443	91662.1485	113621.4035	104346.0363
1.93_277.0862m/z	277.0862135	1.929083333	neg	Glutamylmethionine	HMDB0028825	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			47.9	45.6	M-H	C10H18N2O5S	-0.549305881	9917.619355	10188.01137	9923.125896	8757.712612	12243.19287	10166.69255	9323.271137	12486.76226	12069.50303	12460.27481	9782.388579	10453.79932	9502.308599	8691.795089	9350.283794	9202.232081	8841.325932	8910.948757	10153.53837
11.13_592.3620m/z	592.3619554	11.12618333	neg	"PC(20:2(11Z,14Z)/0:0)"	LMGP01050132	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			47.9	41.9	M+FA-H	C28H54NO7P	-0.067964532	104582.9387	95808.84564	101000.6864	113922.6723	73810.87704	65275.02133	134774.181	107096.1325	123315.985	57112.48504	126192.1902	147568.985	121031.9081	112087.0881	138404.7218	131719.2801	141734.2105	117763.3759	118312.0394
4.63_187.0060m/z	187.0060202	4.62665	neg	p-Toluenesulfonic acid	HMDB0059933	Benzenoids	Benzene and substituted derivatives	Benzenesulfonic acids and derivatives	***	C06677	47.9	51.6	M-H	C7H8O4S	-5.494705907	16443.01716	17230.579	17882.76064	60199.74626	254.7834998	205.0609975	29255.48836	227.6290097	5621.13466	175.9677871	34001.07383	29299.99892	103.2759976	82.49386346	29454.71364	31748.29848	29774.57504	28807.32121	84.24708746
4.86_208.0966m/z	208.0966274	4.8594	pos	N-Acetyl-L-phenylalanine	34536	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C03519	47.9	50	M+H	C11H13NO3	-0.928752369	3756.652886	3740.894682	3814.733571	4826.858784	3268.002265	3839.360577	3453.550921	2708.880069	2334.732881	2977.678407	2991.282951	2585.304883	4446.193361	4120.107941	3918.836509	3545.536293	4114.587918	4320.283675	4670.261549
5.66_591.3189m/z	591.3188788	5.662716667	neg	Mesobilirubinogen	HMDB0001898	Organoheterocyclic compounds	Tetrapyrroles and derivatives	Bilirubins	**	C05790	47.9	48.9	M-H	C33H44N4O6	0.118316859	2651.286368	3118.318271	3033.252541	3229.271395	3271.05624	1763.950011	3538.874788	0.000297236	0.000297236	1914.852165	1802.227248	202.8376336	842.7565634	784.4795565	16950.7449	3136.229091	2169.016836	8691.279855	3703.494426
9.25_239.1284m/z	239.1284248	9.245416667	neg	"4,8-Dimethyl-4E,8E-decadien-10-olide"	LMFA07040024	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			47.9	43.6	M+FA-H	C12H18O2	-2.358661815	22355.72302	19543.44534	22454.52269	27656.37381	40009.8796	23218.34557	39184.88911	34332.12911	34050.17894	28692.55437	38276.87954	37406.96175	45772.12029	32566.98044	41728.44133	45831.25203	28083.1932	33170.41603	47970.3308
0.46_107.0494m/z	107.0494134	0.460733333	pos	"cis,trans-hepta-2,4,6-trienoic acid"	LMFA01030782	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			47.8	42.9	M+H-H2O	C7H8O2	2.193984358	145115.1135	139326.7115	142276.0915	156392.2951	144205.0333	153615.1445	169051.1165	160477.6201	146564.7555	147235.7189	147558.737	139888.2023	142244.9231	138227.1807	145759.2735	145963.571	139563.4633	149893.6564	134902.6934
0.71_158.0690n	176.1027639	0.712233333	pos	4-Methylene-L-glutamine	63274	Unclassified	Unclassified	Unclassified			47.8	43.4	"M+H, M+NH4"	C6H10N2O3	-1.082809202	192475.4069	212758.4708	188437.6379	209062.5881	202089.5234	192237.2726	156322.4703	180206.2628	190395.4391	177168.4045	165274.0143	263266.4136	178887.4779	200304.8092	178206.6718	216548.2735	198304.0576	203091.2972	208800.7395
10.23_476.2781m/z	476.2781099	10.23283333	neg	"LysoPE(0:0/18:2(9Z,12Z))"	HMDB0011477	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		47.8	41.4	M-H	C23H44NO7P	-0.320594749	123773.5499	115314.8286	111196.8787	105020.8764	129655.7434	123440.2599	115655.8922	96488.68775	150381.0451	93871.50741	98590.13051	170634.6717	173268.7892	126739.7618	130003.9052	118642.056	131062.3549	111839.3071	145254.5993
10.28_482.3234m/z	482.3233987	10.27795	pos	LysoPC(15:0)	HMDB0010381	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	***	C04230	47.8	45.2	M+H	C23H48NO7P	-1.490073036	25971.33925	28819.2131	29817.99712	32653.81108	31324.96807	36162.6282	33195.08089	25312.86003	27210.21838	26583.54455	30733.34706	33913.42306	31403.0897	27214.35722	41496.01466	34527.98795	41405.27161	35054.47593	27115.42569
10.94_302.2239n	303.2312015	10.94183333	pos	"5Z,8Z,14Z-Eicosatrien-11-ynoic acid"	35291	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			47.8	44.4	"M+H-H2O, M+H"	C20H30O2	-2.254375115	227290.4826	222221.6753	220467.8801	196270.4023	146963.6345	273265.7566	168674.1312	285786.3625	141581.7283	206105.7797	172250.321	402290.2026	145379.7479	141835.4154	245483.7137	271902.3289	302011.4081	348492.745	304564.5873
13.07_802.5603m/z	802.5603257	13.06681667	neg	"PE-NMe(18:0/18:2(9Z,12Z))"	HMDB0113089	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			47.8	48.8	M+FA-H	C42H80NO8P	-0.042713022	2020776.717	1382929.814	1189835.966	1254527.312	1258076.858	1343906.474	1269112.965	1303332.472	1514639.559	1599934.501	1734395.969	1237890.061	1158278.04	710374.0638	632128.0433	1380677.337	1907560.689	1850123.343	1431630.68
13.79_747.5655m/z	747.5654718	13.79233333	neg	SM(d18:1/16:0)	LMSP03010003	Lipids and lipid-like molecules	Sphingolipids	Phosphosphingolipids	*		47.8	49.5	M+FA-H	C39H79N2O6P	-0.435429189	519429.039	302266.2954	359845.761	406802.9877	438851.8133	498064.4112	639817.4564	618727.5829	525560.8404	583621.133	540753.1745	184331.3843	334600.929	648506.3162	555231.9734	558894.5598	329943.2831	354607.351	351605.5158
3.52_223.1073m/z	223.1072918	3.5192	pos	Glycyl-Phenylalanine	85758	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			47.8	45.7	M+H	C11H14N2O3	-1.922377303	17415.36452	18153.51267	17508.96309	11995.30739	31005.34566	14748.79906	22833.52507	6998.274868	9472.993026	28702.45241	16978.9623	7476.718322	20252.88466	27517.41187	22905.05221	19232.12948	21384.82041	11082.77311	17495.88875
4.06_345.2148n	346.2220641	4.0574	pos	O-sebacoylcarnitine	LMFA07070100	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			47.8	44.7	"M+H, M+Na"	C17H31NO6	-1.014026059	12985.5916	13691.68412	14365.63274	6755.316695	7810.943707	37815.31058	5018.264072	40359.03351	44172.91291	25479.80382	11051.19561	24856.11801	6131.183533	6229.541606	4077.709911	3636.386242	4930.545832	5862.627101	3334.915273
5.53_433.1139m/z	433.1139007	5.529916667	neg	"6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0135371	Phenylpropanoids and polyketides	Flavonoids	Flavonoid glycosides			47.8	42.4	M-H	C21H22O10	-0.275928263	2710.846019	2493.224234	2496.865456	148.7126735	853.8194062	11442.17699	90.41214714	36.47622187	16.22509943	27302.24811	130.9755114	11.9209213	468.4464829	194.4856761	130.1661002	705.7853281	2102.94073	592.3927256	335.8152061
9.69_467.3007n	468.3079836	9.686516667	pos	PC(O-12:0/2:0)	LMGP01020009	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			47.8	42.3	"M+H, M+Na"	C22H46NO7P	-1.032146194	67177.29286	74634.69592	73973.43874	71623.42475	95878.14657	74569.20918	67636.64573	61300.70028	90541.27297	55266.47295	57118.36375	120262.4734	110374.905	81197.38194	80942.53892	59410.55608	67214.5836	53046.1875	98618.43755
0.31_109.0651m/z	109.065061	0.30925	pos	p-cresol	4236	Benzenoids	Phenols	Cresols	**	C01468	47.7	47.7	M+H	C7H8O	2.495527417	38857.2859	29652.44271	32505.00867	32367.56624	31107.8356	34001.87106	34522.36336	36402.93481	35685.94663	35128.38793	37819.30369	30547.41312	31092.01705	30113.77723	30988.99404	30982.92104	29352.66335	33300.80427	29604.62406
0.44_127.1116m/z	127.111561	0.439416667	pos	3-Octen-2-one	89357	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	*		47.7	41.2	M+H	C8H14O	-1.43102955	89149.00215	78766.70123	82963.89518	79272.73466	77183.99701	87699.95071	76813.95094	79623.91816	69887.76309	75314.95561	78891.65049	97137.69826	84231.33454	81441.11852	81606.81262	75086.14153	74325.61074	81136.48604	71573.80965
1.46_212.0916m/z	212.091636	1.457516667	pos	3-O-Methyl-L-DOPA	967	Unclassified	Unclassified	Unclassified			47.7	46.3	M+H	C10H13NO4	-0.46601016	2200.583301	2135.258828	2137.953264	2742.057976	2001.717011	1253.617525	3387.411269	844.2204143	1557.865696	1510.913693	3826.37519	5333.51945	1650.634432	2451.072148	2068.355703	1908.00593	2246.580003	2779.641178	2596.503615
1.95_335.0070m/z	335.0069561	1.949816667	neg	3-[3-hydroxy-5-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid	HMDB0127966	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Hydroxycinnamic acids and derivatives			47.7	48.1	M+FA-H	C10H10O8S	-3.05164026	2623.084161	2300.39587	2316.571202	115.3251903	538.1477458	235.3701562	185.7104882	27684.18618	4611.402069	130.3939647	70.48540035	740.1703754	206.7278923	217.4968297	0.000297236	95.18470787	158.958689	157.8040574	249.3407077
3.80_413.1415m/z	413.141517	3.80485	pos	N6-Carbamoyl-L-threonyladenosine	95993	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			47.7	44.4	M+H	C15H20N6O8	-0.051004875	12794.32429	13351.79442	13493.83327	13697.23682	11795.19381	10524.45942	12176.78337	13893.23511	15736.81932	9605.199427	9805.494934	21985.05523	11117.9615	11605.23733	16170.30087	14071.67236	10816.7509	13647.82937	13276.10325
4.00_221.0713n	220.0642006	3.997416667	neg	N-lactoyl-Methionine	HMDB0062182	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			47.7	46.9	"M-H2O-H, M-H"	C8H15NO4S	-4.039472904	17121.98969	18460.61933	17900.78052	18804.81371	15240.06067	25161.95459	16516.12454	15154.94534	12006.3039	18161.53386	14052.23119	19142.18891	17776.03049	17478.25274	20380.51597	15073.36181	20250.24711	19149.32382	30181.34723
6.50_370.3058m/z	370.3058075	6.502633333	pos	N-goshuyoyl lysine	LMFA08020265	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			47.7	51.3	M+NH4	C20H36N2O3	-1.73465528	5020.316544	3979.884317	3958.565655	11567.14421	6150.62782	3217.738794	4379.284275	7754.7857	4020.547799	10068.67429	4017.587842	5759.880658	2982.385273	7496.733384	25987.1976	15494.39723	5611.523617	6486.981379	3554.592196
9.94_452.2765m/z	452.2765017	9.94225	pos	LysoPE(16:1(9Z)/0:0)	HMDB0011504	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	***		47.7	45.4	M+H	C21H42NO7P	-1.471410911	4819.357311	4279.185353	4018.711655	2822.899886	9948.647495	4587.42326	2682.405584	1648.085519	5161.479822	4367.58896	2614.932304	4467.8678	8288.26089	4724.675029	2842.577062	3387.65387	3232.713218	3144.19962	4738.969041
0.44_136.0890n	119.0857125	0.439416667	pos	2-(1-Pentenyl)furan	HMDB0039782	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			47.6	42.5	"M+H-H2O, M+H"	C9H12O	1.36494614	165687.0318	139348.2084	149708.3053	154490.9941	145551.5245	160735.9967	155900.8088	162792.8008	152906.4013	161452.6248	169897.7981	142296.0021	139573.7135	138791.5907	148165.3071	150684.653	139129.7289	153465.8234	140867.7473
3.97_253.0949n	254.1021309	3.973566667	pos	N-Acetylvanilalanine	62449	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			47.6	42.4	"M+H, M+Na"	C12H15NO5	-0.66426293	13023.21602	14158.94968	12983.53265	14206.22222	9201.989964	16590.9047	9222.101431	10424.39218	8955.952634	11842.79427	9582.795196	16389.72204	14033.34672	12235.9182	17003.73015	10302.06135	14191.93267	14242.38782	24304.74899
0.48_121.1015m/z	121.1015078	0.478916667	pos	3-Ethyltoluene	70123	Unclassified	Unclassified	Unclassified			47.5	44.7	M+H	C9H12	2.755789717	39447.48433	29018.33225	29717.39645	30467.92093	29817.68312	32444.03915	31834.26337	33824.66948	32080.55626	33271.23678	35050.56632	30457.6161	27941.31192	26717.30655	29559.13638	27938.83902	27827.65867	31702.44444	27270.32974
1.24_218.0661m/z	218.0661271	1.2412	neg	N-(1-Deoxy-1-fructosyl)glycine	HMDB0037848	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			47.5	46.2	M-H2O-H	C8H15NO7	-3.726956837	11249.43466	7883.350686	11206.98634	5869.365208	5567.275336	18045.85063	9920.683928	4582.227846	1580.196317	10590.61857	3091.311074	5536.277003	10215.37743	10409.28624	9401.351368	6332.12366	13800.19781	7195.318431	16736.70245
12.02_765.5307n	764.5231232	12.01765	neg	"PE(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))"	HMDB0009036	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		40.9	11.2	"M-H2O-H, M-H"	C43H76NO8P	-0.197140473	2315706.709	3354488.809	2565054.781	2858543.777	2859692.154	2791597.95	2740868.494	2997098.26	3132400.869	3494401.328	3375424.346	2364214.41	409683.6528	1974840.386	2369673.372	2573224.206	2375009.1	2486351.823	2281848.581
11.89_262.2291n	280.2628153	11.89153333	pos	"2-(5,8-Tetradecadienyl)cyclobutanone"	HMDB0037519	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			47.5	42.9	"M+H, M+NH4, M+H-H2O"	C18H30O	-2.275244737	645936.9597	619188.6741	649029.9765	557508.3005	805401.5151	476551.2434	818421.8842	872659.364	591284.8466	822772.5222	617242.3648	500350.2123	601471.9229	837281.7299	501471.5604	488983.3714	537477.8203	552735.4605	577104.1479
12.50_483.2725m/z	483.2725089	12.4998	neg	PG(16:0/0:0)[U]	40874	Unclassified	Unclassified	Unclassified			47.5	41.9	M-H	C22H45O9P	-0.690356394	180881.7751	177344.7843	176203.5735	203539.9396	187219.5422	250392.5469	203942.2201	74067.1165	75822.52873	190601.5695	219654.4675	100940.1163	252473.0981	216196.1383	218950.5577	204130.1886	218415.8571	218316.7014	266267.3051
2.61_167.0338m/z	167.0337884	2.605566667	neg	"3,4-Dihydroxybenzeneacetic acid"	HMDB0001336	Benzenoids	Phenols	Benzenediols	***	C01161	47.5	49	M-H	C8H8O4	-7.104907528	1541.516717	1278.19754	1598.640766	790.1047223	854.028067	777.0183285	785.4788479	791.8892595	6141.277287	752.7073396	753.3855195	7707.432863	860.3287206	951.1186902	851.7688334	839.2975192	749.7549066	837.7096876	738.6228253
9.73_208.1824n	209.1896884	9.7295	pos	"5,8-tetradecadienal"	LMFA06000082	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes			47.5	41	"M+H-H2O, M+H"	C14H24O	-1.354375516	74444.09491	98092.09985	84387.25687	122473.5419	116045.9608	92134.6129	204195.8	138762.9252	124561.1088	139722.4023	186830.0418	167072.7709	199061.8614	145114.2846	180643.7711	130542.5527	111044.2714	116558.0365	172033.8026
9.77_476.2635m/z	476.2635285	9.77185	pos	"6-hydroxy-1-(hydroxymethyl)-1,4a,6-trimethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate"	HMDB0134762	Phenylpropanoids and polyketides	Coumarins and derivatives	Unclassified			47.5	44	M+NH4	C26H34O7	-1.637823942	17072.22089	16392.22475	17530.2807	12090.15474	16345.81789	12667.2998	12216.47588	24974.45153	13240.35278	11554.77646	14893.88943	13173.05485	15121.58004	13576.56703	11002.09246	14102.36881	12228.34582	14293.05367	12037.30399
0.70_133.0374n	134.044664	0.695266667	pos	Diglykokoll	34481	Unclassified	Unclassified	Unclassified			47.4	39.1	"M+H, M+Na, M+H-H2O"	C4H7NO4	-0.903075932	408031.1842	440319.5171	384300.9111	506116.8306	366553.631	407499.7588	377195.146	303413.2539	323217.6526	412221.8805	433760.5582	479254.6612	409832.9071	444239.9098	412185.4536	444206.877	410366.5521	505779.6882	449939.3775
0.78_277.1027m/z	277.1027209	0.781033333	pos	Glutamylglutamic acid	HMDB0028818	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C01425	47.4	43.5	M+H	C10H16N2O7	-1.109655162	126780.5323	127840.3971	122315.9952	80980.85623	138095.808	131992.4849	127028.9378	131228.7518	158232.1702	168442.3695	106870.3054	166578.1894	130809.4028	132101.9437	129632.1441	113833.0929	122141.0358	78762.90413	130809.2394
11.85_766.5388m/z	766.5387723	11.8477	neg	"PE(18:0/20:4(5Z,8Z,11Z,14Z))"	LMGP02010118	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		47.4	43.2	M-H	C43H78NO8P	-0.594525212	2498390.952	2247829.277	2289535.471	2427334.201	2545138.009	2626543.239	2737204.173	2583123.955	2423398.108	2392619.038	2732421.422	2348283.711	2510379.524	2808727.662	2676629.64	882151.73	2263305.763	2497645.417	2223324.033
13.13_299.2588m/z	299.2588194	13.12845	neg	DL-2-hydroxy stearic acid	35432	Lipids and lipid-like molecules	Fatty Acyls	Octadecanoids			47.4	43.1	M-H	C18H36O3	-1.162945901	18705.24189	19733.7792	20393.26106	20219.74173	20160.11605	19280.23588	20580.90105	11294.63703	14113.30627	15490.256	22197.77163	20162.91223	23592.41339	24562.73784	20541.32217	24637.49354	20291.59528	20083.94152	21654.42855
0.75_134.1173m/z	134.117349	0.7465	pos	Diacetone alcohol	HMDB0031511	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			47.3	38.9	M+NH4	C6H12O2	-1.776234603	833454.5464	865939.8968	818488.1811	1276455.155	523285.7403	787263.6811	539582.312	588566.2624	505082.3284	463565.821	984164.8137	1262981.383	728962.0009	748786.1673	1095178.809	1151854.258	698199.4405	1454601.225	1234476.541
0.75_141.0657m/z	141.0656759	0.7465	pos	1-Methyl-5-imidazoleacetic acid	3776	Organoheterocyclic compounds	Azoles	Imidazoles			47.3	42.1	M+H	C6H8N2O2	-1.271223185	24494.04362	23832.95842	24833.65517	29765.48994	16904.89903	12535.02203	14113.76011	81505.9394	44956.08969	12114.74546	15291.30244	48811.86375	21066.80202	16138.08928	14311.63476	14033.82094	15380.8255	10058.4926	23753.56627
0.76_362.0507m/z	362.0507041	0.764266667	neg	Guanosine monophosphate	HMDB0001397	"Nucleosides, nucleotides, and analogues"	Purine nucleotides	Purine ribonucleotides	***	C00144	47.3	45.6	M-H	C10H14N5O8P	-0.051026856	88806.91404	90482.406	88453.23048	70807.50097	110296.1001	111679.9257	122961.6926	96297.00233	98984.89518	126247.9072	90032.90912	91074.25119	99110.62796	87199.94128	91163.17402	90193.75288	95799.32213	67373.48741	82983.23299
1.06_192.0258n	173.0079728	1.063433333	neg	Citric acid	HMDB0000094	Organic acids and derivatives	Carboxylic acids and derivatives	Tricarboxylic acids and derivatives	***	C00158	47.3	45.1	"M-H2O-H, M-H"	C6H8O7	-6.190078664	236114.021	242796.3143	228902.9829	294312.8624	276080.1967	271678.7124	208447.9101	411422.8897	396169.5295	305914.5269	204013.3759	243932.5251	218010.8942	211919.0625	223207.0559	198658.0761	263504.8551	255233.8985	288258.1921
1.26_239.1022m/z	239.1021898	1.25845	pos	Tyrosyl-Glycine	85997	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			47.3	43.9	M+H	C11H14N2O4	-1.863046385	17621.87804	19366.63421	18463.38302	12033.50499	28535.36212	28160.58339	28512.64576	15282.37752	10153.10298	23840.30279	21124.48195	6309.796244	24020.53108	21603.17432	18529.98665	11717.7071	19523.17535	11295.10879	20375.64866
10.28_500.2782m/z	500.2782134	10.2751	neg	"LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))"	HMDB0011487	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		47.3	37.5	M-H	C25H44NO7P	-0.098834359	2168814.721	2066605.774	2156406.199	2505270.955	2545574.097	2462770.541	2468314.799	1553018.817	1787355.277	2255319.723	2300242.928	1998202.672	2711986.027	2555770.259	2569534.527	2563169.095	2670711.785	2533750.291	2714475.394
11.02_494.3235m/z	494.3235053	11.02468333	pos	PC(16:1(9E)/0:0)	LMGP01050021	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			47.3	43	M+H	C24H48NO7P	-1.237828781	21301.66783	22354.02083	23714.00929	18776.4243	25679.51192	26785.83288	24394.73938	5764.298347	7227.626071	27262.04313	22396.29637	12388.23825	27853.92567	28055.48606	31188.12652	28366.90172	27423.16725	22999.40868	31115.75245
2.31_309.1092m/z	309.1092105	2.309933333	neg	gamma-Glutamyltyrosine	HMDB0011741	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			47.3	39.7	M-H	C14H18N2O6	0.001956202	18370.42555	18449.61382	17613.81132	15444.54218	20549.31689	21484.52152	18075.37723	21419.97963	22490.4467	22712.6086	15844.66932	19461.50192	17907.82303	17518.42657	17110.2479	14835.40628	16138.36177	15706.48992	20199.74674
3.53_723.2136m/z	723.2136451	3.534466667	neg	Kaempferol 3-rhamnosyl-(1->4)-rhamnoside-7-rhamnoside	LMPK12111878	Lipids and lipid-like molecules	Polyketides	Flavonoids			47.3	41.7	M-H	C33H40O18	-0.749603631	19540.84371	19093.99062	19725.88792	18780.62556	17532.64731	19481.82146	20534.03724	13660.26329	14649.44847	19164.74418	17258.74637	18340.08508	19345.19546	23663.43324	21792.31365	19955.18461	25049.77675	23503.71748	25468.23945
3.70_180.1019m/z	180.1018954	3.699366667	pos	L-Homophenylalanine	43203	Unclassified	Unclassified	Unclassified			47.3	41.3	M+H	C10H13NO2	-0.054165916	1965.33306	2256.76754	2047.306056	2279.723058	2219.090225	2310.327425	1703.357857	2131.035694	1982.395229	2147.002054	2137.675793	1988.3916	2321.8238	2312.171258	2202.376556	2463.80426	2306.172662	2066.617511	2054.691214
4.06_334.1395m/z	334.1394661	4.0574	pos	gamma-Glutamyltryptophan	HMDB0029160	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			47.3	43.7	M+H	C16H19N3O5	-0.843628439	1216.492981	1346.477112	1402.337151	843.9191091	1720.300585	976.6719869	1316.832716	537.0478644	285.3595542	1741.462846	1334.458534	277.059831	1687.796367	1769.808626	1349.148459	1419.080944	1249.315778	991.9447276	1930.135928
0.36_139.0388m/z	139.03881	0.364	pos	p-Salicylic acid	3263	Benzenoids	Benzene and substituted derivatives	Benzoic acids and derivatives	**	C00156	47.2	40.7	M+H	C7H6O3	-1.162417962	50566.75256	48263.03634	48332.13201	49516.51216	47501.74548	50960.45641	49987.76911	51293.52725	48086.90305	49707.28777	49762.42056	49491.24783	49914.99498	50646.94676	51496.74649	52193.6987	46780.45527	52062.11725	47320.65081
0.36_189.1272m/z	189.1271639	0.364	pos	"1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl"	96266	Benzenoids	Indanes	Indanones			47.2	44.6	M+H	C13H16O	-1.210329859	15648.91428	15997.71656	14618.68905	14401.66586	15146.57758	16444.11095	15858.21765	16104.47637	15668.13013	19519.10205	16594.73541	17599.90016	16644.38111	16030.11755	15582.63665	16633.49267	14995.86868	16100.40613	14438.64758
12.54_832.5810m/z	832.5810061	12.54093333	pos	"PS(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	LMGP03020093	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			47.2	57.2	M+H-H2O	C48H84NO9P	-4.797062972	4527989.652	2815992.148	4586544.811	4388112.917	3951128.968	3900601.59	4286334.866	4702589.602	4811536.968	4742649.203	4475624.513	3310145.808	3121940.543	4952335.385	6803478.697	3849736.868	2605792.889	3915636.471	4209019.463
3.80_366.1119m/z	366.1119226	3.80485	pos	Amoxicillin	1013	Organoheterocyclic compounds	Lactams	Beta lactams	*	C06827	47.2	48.9	M+H	C16H19N3O5S	0.286103207	1668.113275	1838.738305	1919.704958	599.9438045	1879.704159	2536.744059	549.5910195	6669.821901	5537.391406	1448.695844	567.7486147	3118.731771	606.1165594	832.5964596	786.4821014	1243.447077	1348.144531	1448.09209	570.6456672
4.31_217.1074m/z	217.1074013	4.309783333	neg	9-hydroxy-5Z-nonenoic acid	LMFA01050232	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			47.2	43.1	M+FA-H	C9H16O3	-4.334096319	369.2652419	428.3755858	410.118784	175.4312001	299.818883	289.0661342	184.9726807	2457.006287	718.1734485	265.6351123	198.3674593	415.9378432	157.2991353	233.5966063	246.1921002	162.4975038	216.5746524	199.9670922	194.8581917
6.31_371.2438m/z	371.2437773	6.3092	neg	"8-methoxy-13-hydroxy-9,11-octadecadienoic acid"	LMFA01080002	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			47.2	40.1	M+FA-H	C19H34O4	-0.414253315	4214.599092	3822.973983	4147.607056	7002.785958	3029.221797	8942.418471	3854.576077	0.000297236	46.94962408	3275.264095	5956.410615	340.4116286	4953.767689	4838.390484	7950.181169	4626.631661	5231.685489	6559.919352	4675.971678
9.58_472.1365n	495.1257302	9.580866667	pos	Formononetin 7-O-(6''-acetylglcoside)	LMPK12050023	Lipids and lipid-like molecules	Polyketides	Flavonoids			47.2	39.6	"M+H, M+Na"	C24H24O10	-1.01416819	60222.93965	82766.77628	66441.00503	66785.24756	62821.91782	61638.68456	62856.76777	60367.2899	67165.08485	55802.87396	64674.34503	80401.00002	77708.53024	74538.08387	76357.37116	67288.24504	72118.71663	67099.13461	63985.21146
9.71_917.5205m/z	917.5204921	9.7085	neg	PIP(16:0/18:0)	HMDB0009923	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoinositol phosphates	*		47.2	49.8	M-H	C43H84O16P2	4.690808292	13964.32831	16677.71199	13342.0643	16864.82789	13990.14041	21965.03648	11266.07124	46674.25541	31488.38936	14703.63458	13154.79512	14760.32346	12895.63777	13047.78169	8777.187534	10898.3761	12526.23073	13006.19611	12216.57123
0.73_280.1023m/z	280.1022507	0.729216667	pos	Tetrahydroneopterin	HMDB0000942	Organoheterocyclic compounds	Pteridines and derivatives	Pterins and derivatives			47.1	44.8	M+Na	C9H15N5O4	2.43506786	233092.3043	250415.6266	242662.662	287434.8274	201840.6587	248695.0276	156706.218	172381.4451	226608.8174	229104.1566	226219.128	267301.2742	243233.9054	224420.158	300330.0576	294726.9227	244083.8201	279774.0117	286760.7038
1.82_501.1105m/z	501.1105445	1.822516667	neg	"3,4,5-trihydroxy-6-[(4,5,6-trihydroxy-2-{[(3-methoxy-3-oxopropanoyl)oxy]methyl}oxan-3-yl)oxy]oxane-2-carboxylic acid"	HMDB0130022	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			47.1	42.4	M+FA-H	C16H24O15	1.801149499	5598.483382	5299.165438	4824.168069	4766.226887	5190.625089	4765.556712	5612.488569	9389.881996	6945.877876	4568.928108	5099.667369	8279.089998	4330.752442	4959.525738	3898.538317	4385.903249	4173.711714	4521.806794	4661.818934
10.11_314.3047m/z	314.3047472	10.11088333	pos	19:1(16Z)	LMFA01030912	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			47.1	41.6	M+NH4	C19H36O2	-2.054677671	5157.735838	4934.831079	5431.571047	4620.84666	7877.134687	7749.672055	4482.001305	2799.817559	2983.888098	3053.481306	5916.042899	3006.729042	8034.494077	6384.067176	6083.472456	4938.086777	3572.71253	5552.745731	8666.598102
11.10_494.3257m/z	494.3257355	11.1045	neg	PC(16:0/0:0)[rac]	LMGP01050113	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			47.1	42.8	M-H	C24H50NO7P	1.054482595	21372.49745	19170.3548	22035.00337	22176.31756	22839.68525	22100.89408	23693.35049	24000.43707	20207.79239	21995.71967	21569.60196	23264.26909	25422.71756	23108.16432	15968.34873	21672.06463	20759.44031	24998.01429	21097.03813
8.29_273.2663n	274.2736084	8.28965	pos	C16 Sphinganine	41556	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			47.1	40	"M+H, M+Na"	C16H35NO2	-1.637272565	292390.2725	299058.9038	290994.7267	310643.7933	533083.0483	181735.2441	213125.8208	258681.9911	246793.5344	250495.0806	253938.0123	259306.9191	294997.4881	216112.8239	278319.5288	275481.2427	215602.8782	534483.2315	259444.3081
9.81_297.2418m/z	297.2418034	9.81395	pos	"9,10-epoxy-12-octadecenoic acid"	35866	Unclassified	Unclassified	Unclassified			47.1	45.8	M+H	C18H32O3	-2.085994872	5296.183194	5748.065285	5712.469574	4854.11354	5383.286696	5394.536818	5017.989689	5723.687672	6032.145592	5200.509886	5333.472286	5279.801662	5426.619005	5518.269301	5293.626726	5857.328877	5638.943594	4896.971358	5025.76697
0.38_184.1825n	207.1741102	0.3825	pos	5E-Dodecen-1-ol	LMFA05000146	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			47	39.4	"M+H, M+Na"	C12H24O	-1.201884391	114475.4265	104997.7411	105819.4873	107584.9914	105080.4394	112908.7646	108463.8089	110201.5296	108860.3725	110577.2658	113911.5836	107416.0726	107989.0921	102896.9982	108887.7157	109218.5933	103065.6969	112795.935	102274.265
0.82_177.0392m/z	177.0391889	0.816033333	pos	L-Ascorbic acid	249	Organoheterocyclic compounds	Dihydrofurans	Furanones	**	C01041	47	38.6	M+H	C6H8O6	-0.996944192	65898.68629	84529.31966	71234.70844	65794.22661	85136.79609	43329.38277	116241.9392	31839.72228	72922.69332	82238.17521	110233.1505	37710.94092	122980.9338	147240.1911	109821.5605	101015.4628	90637.22555	38251.14167	55584.68377
1.32_292.1402m/z	292.1402319	1.317533333	neg	N-(1-Deoxy-1-fructosyl)leucine	HMDB0037840	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		47	39.7	M-H	C12H23NO7	0.192031141	28907.75795	28967.58606	29678.22693	27377.33157	24945.412	33742.63902	26822.84811	74640.38187	79123.76598	27166.87958	23489.68788	27069.2604	19412.75469	23117.52989	17396.51687	20781.968	20628.12064	19870.42209	18305.12457
10.18_634.3340m/z	634.3339972	10.17525	pos	PHOOA-PS	LMGP20040005	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			47	45.1	M+H-H2O	C30H54NO12P	-1.65408579	35306.45936	40043.22904	37917.17071	50371.24138	38822.02469	51919.61042	30754.1515	21286.5548	32815.41482	33321.66898	34573.25403	39386.71398	49696.16334	48928.26248	59793.30321	58029.28835	49640.84272	55282.91554	50275.54666
10.47_614.3466m/z	614.3465649	10.46646667	neg	"LysoPC(22:5(4Z,7Z,10Z,13Z,16Z))"	HMDB0010402	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	47	40.2	M+FA-H	C30H52NO7P	0.390656066	54866.08586	49822.49531	52675.78978	63410.63844	67383.7876	64897.26007	58969.46996	63994.67167	76347.93629	49844.83906	52942.90761	80540.59681	71875.11869	62600.23163	65876.75562	60488.03752	64290.62031	61663.27617	67479.19639
12.68_280.2397n	281.2468556	12.68373333	pos	Mangiferic acid	HMDB0029800	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	*		47	42.7	"M+H-H2O, M+H"	C18H32O2	-2.003284725	46439.299	27152.77703	35302.37722	33047.16509	42560.54818	26154.40023	27943.67725	66130.67415	71364.91871	28515.64761	28605.41769	54739.01914	31260.72106	26929.51205	35602.39007	38676.54244	43228.02887	48033.78216	33072.54799
15.76_152.1199n	153.127062	15.75651667	pos	Dihydrocarvone	91250	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	*	C18018	47	46.9	"M+H-H2O, M+H"	C10H16O	-1.2551035	220251.8306	186576.3683	181604.8835	201362.7055	204927.2698	191676.023	194656.0904	190378.5502	188977.8788	215789.9309	250510.419	178690.2	172529.2399	179437.1058	199572.9435	208949.3626	188030.6451	168619.6606	182857.2652
3.53_349.0126m/z	349.0126061	3.534466667	neg	6-Chloroapigenin	LMPK12110430	Lipids and lipid-like molecules	Polyketides	Flavonoids			47	60.8	M+FA-H	C15H9ClO5	1.816218529	34851.14514	33345.59616	33129.71887	33112.77249	32791.96329	30957.38519	34635.03025	27559.78487	27941.8961	32456.68055	34707.57149	32299.43075	34275.00016	36854.64835	32354.50858	33791.86117	34472.53439	37441.5045	33707.58393
3.70_229.1544m/z	229.1544375	3.699366667	pos	Leucylproline	HMDB0011175	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		47	44	M+H	C11H20N2O3	-1.014431522	97534.79047	101091.0692	98306.22956	96742.31057	104098.5328	126412.8944	100597.8912	108813.4288	69184.10577	121481.2705	93280.42657	72222.56539	91608.48857	93272.38997	101268.9433	102496.6346	104598.4923	101867.9272	111650.5601
5.02_275.1037m/z	275.1037222	5.017966667	neg	"(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid"	HMDB0037942	Alkaloids and derivatives	Harmala alkaloids	Unclassified			47	38.2	M+FA-H	C13H14N2O2	-0.036374724	5226.415068	5371.561343	5235.944607	5218.071391	4362.663082	6840.59933	4693.581352	4363.657679	3856.350802	5212.747423	4406.691788	5713.864201	5857.291119	4852.39112	5925.902418	4296.609558	5841.748998	5537.905903	8887.033486
7.79_358.2502n	359.2575147	7.791333333	pos	"24,25,26,27-Tetranor-23-oxo-hydroxyvitamin D3"	HMDB0060114	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	*		47	40.9	"M+H-H2O, M+H"	C23H34O3	-1.625431694	15100.5243	16057.56932	15620.28107	10215.47696	7145.651749	1019.721072	9239.769174	2028.558108	27322.80359	4064.49982	11731.5881	21991.84497	6777.011804	17913.16556	78292.88877	8794.32707	19680.10714	27323.14999	9492.36592
8.07_211.1690m/z	211.168984	8.069616667	pos	11-Hydroxy-9-tridecenoic acid	HMDB0035881	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		47	41	M+H-H2O	C13H24O3	-1.193677295	5399.470931	4887.468879	4409.154382	4604.17241	4137.677962	4702.119497	4330.858319	4682.564572	4577.538704	4933.738182	4649.860125	5349.650116	4999.407594	5698.617588	5365.532167	4882.297489	4828.429314	5154.206435	4316.399773
0.44_164.0835n	165.0908468	0.439416667	pos	beta-Thujaplicin	67998	Hydrocarbon derivatives	Tropones	Tropolones		C09904	46.9	41.5	"M+H-H2O, M+H"	C10H12O2	-1.208543771	150614.9987	127872.919	133728.7377	135621.4009	126869.0155	138586.1353	138686.8051	143199.2081	138087.43	144426.9729	150628.8349	127094.4261	129515.2595	129589.7257	130873.1736	134581.3181	126316.4028	139883.8455	127112.2347
1.14_311.1235m/z	311.123493	1.13905	pos	Tyrosyl-Glutamate	HMDB0029104	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			46.9	39.8	M+H	C14H18N2O6	-0.869907262	32210.89978	37262.52976	27288.75136	25974.58775	43094.36813	29000.81217	47713.43002	18543.16978	15957.03545	45754.31255	33630.19632	10637.45901	36524.79124	49885.82748	34970.06641	31409.40297	37052.54198	24477.83263	38364.4207
10.06_562.3151m/z	562.3150659	10.06331667	neg	"LysoPC(18:3(6Z,9Z,12Z))"	HMDB0010387	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	46.9	41.7	M+FA-H	C26H48NO7P	0.045487717	11842.74787	10961.93385	11267.74836	10867.10272	18941.09568	18463.64792	10746.50217	13739.45495	18148.43791	14107.82182	10512.70423	17891.41732	15555.44122	11582.9166	14736.05975	12109.95949	14910.38607	13381.38038	14729.39479
11.07_506.3236m/z	506.3236363	11.06651667	pos	"PE(20:2(11Z,14Z)/0:0)"	LMGP02050021	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			46.9	40.8	M+H	C25H48NO7P	-0.949135142	30285.58382	28873.69049	29125.60886	32206.08938	22739.7969	18781.10784	33392.64983	36365.49722	43249.71547	15501.73082	28969.22858	46088.12491	31843.20311	29918.3001	35664.31136	30715.53583	34655.35834	29750.28162	29341.16194
2.75_261.0072m/z	261.0071993	2.754933333	neg	(5-ethenyl-2-hydroxyphenyl)oxidanesulfonic acid	HMDB0124978	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			46.9	42.1	M+FA-H	C8H8O5S	-1.147520044	20805.66139	21145.28288	20967.5208	16335.17872	21911.16427	35408.98195	18424.36031	39749.6172	69954.47939	33870.53331	10367.20544	13408.85989	20861.7131	14531.98946	13014.37765	6159.727255	10092.64764	8790.794108	20606.58845
3.98_252.0874m/z	252.0874192	3.976266667	neg	N-lactoyl-Tyrosine	HMDB0062177	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			46.9	38.3	M-H	C12H15NO5	-1.291750954	14920.85489	15014.45596	15312.74401	16956.49137	11697.39957	21163.86433	11565.1735	12067.59527	10300.94514	14606.36412	9745.211972	18089.57861	15254.12054	13662.68496	16915.40845	11078.73812	15758.53506	15828.05305	25569.65822
4.91_267.0510m/z	267.0509688	4.91215	neg	Diphenol glucuronide	HMDB0059998	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			46.9	38.9	M-H2O-H	C12H14O8	-0.201013913	4030.995087	4037.773195	4138.044546	3945.649331	3903.34051	4365.140587	4183.97044	4309.479555	4059.825553	4106.306545	4504.37141	3813.487965	4010.843676	4122.814222	4365.652244	4153.85889	4030.110581	4345.170254	4068.765663
5.90_284.0679n	285.0751729	5.899833333	pos	Wogonin	49754	Lipids and lipid-like molecules	Polyketides	Flavonoids			46.9	40.3	"M+H, M+Na"	C16H12O5	-2.031414201	1410.592246	1384.001156	1424.116626	79.89340773	475.3944997	1971.057075	0.000297236	133.3827463	0.000297236	17139.93999	72.91684812	298.7954193	688.3832952	0.000297236	242.2150834	895.4896215	424.947808	205.7713344	67.48286195
6.37_357.1708m/z	357.1707907	6.365433333	neg	18-Oxocortisol	LMST02030194	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	*		46.9	41.2	M-H2O-H	C21H28O6	0.11489063	2040.222638	1694.605184	2375.521334	951.4112365	3328.266685	2829.130526	1429.947531	4303.388363	754.2713188	1673.457412	1494.227854	524.348004	733.9036422	656.8422176	1102.880184	1554.23808	1372.906046	1427.029464	508.9424676
0.44_163.1115m/z	163.1115435	0.439416667	pos	Jasmolone	HMDB0030039	Organic oxygen compounds	Organooxygen compounds	Alcohols and polyols			46.8	40.3	M+H-H2O	C11H16O2	-1.099383396	53239.75738	49912.95248	50013.38191	53997.37671	50167.80352	53882.87077	54019.33219	49924.97194	51658.87224	53845.49228	56002.99626	47032.07623	50194.50559	48632.65018	49086.35595	51008.36794	50184.18984	51106.98617	48464.4329
1.82_365.1353m/z	365.1352887	1.822516667	neg	Semilepidinoside B	HMDB0033108	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			46.8	38.5	M-H	C17H22N2O7	-0.371190911	31230.82704	31430.50216	28395.53681	27317.26446	31659.79519	24832.7764	31622.75468	51880.03969	45368.71939	24542.78835	30818.63528	49078.82636	26376.26671	28422.91626	24750.31383	26661.09693	27506.77442	25573.30728	25844.24113
1.86_267.1336m/z	267.133632	1.8645	pos	Phenylalanyl-Threonine	85903	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			46.8	40.1	M+H	C13H18N2O4	-1.133072807	5462.765578	5880.712325	5511.550201	4272.366611	7933.184994	5803.454352	9384.858313	2882.847792	2337.836786	7908.302757	5285.139176	2073.844077	7468.823939	7874.510738	7206.153936	5570.984013	6355.489061	3660.50057	6825.503015
12.02_854.5911m/z	854.5910854	12.01765	neg	"PC(20:4(5Z,8Z,11Z,14Z)/18:0)"	LMGP01011907	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C00157	46.8	48	M+FA-H	C46H84NO8P	-0.70739902	3425584.725	3098172.686	3559543.143	3464701.506	3076708.272	3083830.13	3468276.989	3466120.388	3436425.008	3263484.388	3387234.841	3469926.604	3531723.284	3012170.204	2928734.816	3266695.512	2771639.38	2097505.641	2986214.659
3.53_507.0968m/z	507.0967697	3.534466667	neg	"6-[2,3-dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid"	HMDB0133145	Phenylpropanoids and polyketides	Tannins	Hydrolyzable tannins			46.8	45.2	M-H	C19H24O16	-4.700912005	12887.76027	11757.3169	12033.5184	12209.10078	10913.0576	12360.27774	12509.41142	9277.78446	9266.32376	12482.9678	11881.63365	12827.50403	14018.73995	15498.99938	12722.61045	12568.99217	14567.18107	16099.99905	15952.49741
4.08_212.0015m/z	212.0014585	4.078183333	neg	Indoxyl sulfate	HMDB0000682	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates	***		46.8	41.6	M-H	C8H7NO4S	-3.961267008	42851.69253	42153.22647	42532.40356	33306.21349	62613.38058	61603.98418	34624.79014	72706.4897	45500.00617	54603.48735	27701.76997	56987.0217	42350.73842	33676.78067	46347.24563	24751.04752	43356.31482	26223.40074	29285.68077
5.35_321.0436m/z	321.0436496	5.348233333	neg	"[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid"	HMDB0141213	Phenylpropanoids and polyketides	Isoflavonoids	Isoflavans			46.8	39.8	M-H	C15H14O6S	-0.56849781	14941.4013	17619.34196	16211.15884	3363.929846	17070.80142	83970.25885	2082.663876	1800.635202	2695.024601	91562.67149	3028.31339	4331.254776	11366.82054	2858.850044	6518.900322	2061.389859	4454.045133	3631.696861	3746.69308
6.24_455.2333n	456.2407585	6.24025	pos	20-hydroxy-LTE4	LMFA03020025	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	**	C03577	46.8	45.6	"M+H-H2O, M+H"	C23H37NO6S	-1.79866312	16425.30517	18779.21644	18023.18893	12020.85517	13445.11718	24681.49985	12967.36214	14195.56147	5150.686007	22799.93366	10880.45796	6201.791656	48620.05671	31123.74442	22951.02895	13086.09194	21718.80464	7575.457905	21897.13371
8.40_243.1598m/z	243.1598022	8.402733333	neg	"1,11-Undecanedicarboxylic acid"	6622	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		46.8	40.4	M-H	C13H24O4	-1.558628471	3000.826413	3110.579857	3141.305349	2527.596825	3163.698379	2842.514056	3680.363612	2992.211178	2438.040216	2613.95628	3193.139192	2597.260358	2747.458854	2282.479841	3044.247693	2857.216601	3060.71727	2843.407501	3816.816428
8.93_272.2582m/z	272.2581564	8.927783333	pos	Myristoyl-EA	46563	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides			46.8	42.5	M+H	C16H33NO2	-0.919239316	3072.757647	3244.789083	3391.31623	3555.589301	4233.378192	3001.907438	3352.206059	2647.974127	2858.920733	2223.073935	3281.939292	3859.157098	3561.775155	11211.70131	2489.626174	2681.84134	2091.14807	3394.419621	3487.344115
9.52_301.2976n	302.3048597	9.51775	pos	Sphinganine	395	Organic nitrogen compounds	Organonitrogen compounds	Amines	**	C00836	46.8	38.9	"M+H, M+Na"	C18H39NO2	-1.64688052	99734.13047	104169.7036	100588.4863	101125.1239	156587.6661	58074.61214	65869.25649	86211.87849	82499.64833	72615.05998	82128.84291	94379.01176	102753.9363	73342.6072	88082.85961	84450.30865	65509.99208	171445.7598	72853.48554
1.26_263.0230m/z	263.0229615	1.259833333	neg	(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate	1596	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates			46.7	46.7	M-H	C9H12O7S	-0.514279424	4564.715088	4014.210911	4444.892664	4948.379258	4155.999477	4940.879916	3726.883479	10529.43116	8831.536431	3145.706902	3347.924002	5607.682997	3833.65134	3197.133514	3551.225832	3246.373364	3750.928946	3960.725186	4886.40353
1.53_239.1030m/z	239.102983	1.533166667	pos	Glycyl-Tyrosine	85762	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			46.7	40.3	M+H	C11H14N2O4	1.468355358	32655.82706	34042.01376	33227.46052	36537.19717	39155.34506	52871.58285	28300.90992	33068.65484	24317.78122	44612.38757	36628.13604	20885.27786	37433.51938	33034.69227	30016.10521	31651.75655	37361.25585	42751.82207	36063.92902
10.57_336.2298n	317.2119684	10.57313333	neg	"10,11-dihydro-12-oxo-LTB4"	HMDB0012498	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		46.7	39.2	"M-H2O-H, M-H"	C20H32O4	-0.743623726	30613.21591	33799.19254	34343.15116	23188.62325	31128.802	46007.21381	24575.89566	31475.5335	18164.82208	33833.37966	27181.30628	29286.39956	27589.24172	19441.95389	32678.94574	33066.84221	32277.02137	36652.37799	61244.15631
12.94_330.2556n	329.2483722	12.9408	neg	"7Z, 10Z, 13Z, 16Z, 19Z-docosapentaenoic acid"	24096	Unclassified	Unclassified	Unclassified			46.7	38.4	"M-H, M+FA-H"	C22H34O2	-0.70166632	28307.91742	21766.24376	25736.91241	22845.69065	13446.71089	15977.79375	20868.03351	69606.54384	100080.2323	12241.6062	20086.36652	64627.42357	16613.79163	20380.80423	19795.48532	21450.36512	20714.67211	21680.1058	20645.36919
15.76_121.0651m/z	121.0651047	15.75651667	pos	3-Methylbenzaldehyde	66605	Benzenoids	Benzene and substituted derivatives	Benzoyl derivatives	**	C07209	46.7	42.4	M+H	C8H8O	2.609990256	40370.82683	36730.85271	40344.5342	42758.57098	44289.5664	49537.99399	50974.99572	49714.79916	53815.26472	46512.50443	44751.49792	38094.93195	39863.1508	39230.64111	39639.371	38950.87667	41209.62447	39780.99534	37798.57009
2.92_195.0895n	196.0967526	2.92155	pos	L-Tyrosine methyl ester	65971	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"		C03404	46.7	37.3	"M+H, M+Na"	C10H13NO3	-0.344028035	15481.63124	15405.2846	14308.53447	16767.34669	12333.88872	21777.98078	16348.18295	11101.01998	10454.06977	14207.62957	11455.90881	14207.29737	20141.57553	16526.91582	14433.80984	10662.08646	15492.90399	12581.79869	21323.76231
2.92_231.1468n	232.1541249	2.92155	pos	Butyryl-L-carnitine	964	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*	C02862	46.7	36	"M+H, M+Na"	C11H21NO4	-0.90697814	36141.50423	36145.87475	34845.06768	51069.08732	36607.64673	38438.89486	39874.7608	35104.29362	30413.55597	45331.35068	39884.17502	38190.16938	26245.72348	26441.98159	34768.02666	30430.404	38680.47124	33933.9536	32087.11093
3.31_381.1632n	382.17051	3.314116667	pos	cis-Zeatin 9-glucoside	95774	Unclassified	Unclassified	Unclassified			46.7	46	"M+H, M+Na"	C16H23N5O6	-4.197455086	14098.19861	13693.87317	12143.85359	10240.92033	18388.26927	21226.68394	9286.778554	35394.11318	8270.894683	17937.26664	9333.216286	8211.594717	15026.73402	10034.09445	10537.95496	9465.938995	10443.2206	10297.7036	11075.89823
5.20_379.2109m/z	379.2108926	5.202733333	pos	18-Hydroxycortisol	57881	Lipids and lipid-like molecules	Steroids and steroid derivatives	Hydroxysteroids	*		46.7	41.1	M+H	C21H30O6	-1.645984636	1642.845302	2433.727305	2843.080619	1531.353737	1558.307456	1383.25802	1724.007963	7197.601609	2442.203389	1820.077787	2657.411788	4970.933513	1534.709721	1908.40047	1135.143132	2131.154747	2293.400984	1326.552592	1303.345931
8.74_335.1864m/z	335.1864184	8.7395	neg	"8-hydroxy-17-octadecene-10,12-diynoic acid"	LMFA02000201	Lipids and lipid-like molecules	Fatty Acyls	Octadecanoids			46.7	37.4	M+FA-H	C18H26O3	0.071865139	5566.365377	6104.341329	5823.849146	2959.728861	3078.897545	7561.653714	2120.258758	19626.05431	5488.201832	6879.208243	3334.387892	5904.458871	3488.383244	3446.295527	3297.695993	3030.713172	4528.623282	4882.97969	2496.697932
0.82_118.0863m/z	118.0862625	0.816033333	pos	4R-aminopentanoic acid	LMFA01100021	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			46.6	38.7	M+H	C5H11NO2	0.063642414	6572222.775	6866373.682	6587088.21	6403560.031	7495441.617	7577380.674	6213388.798	6709193.293	6288600.81	7339764.772	5839745.91	6526619.349	6736326.171	6658624.325	7199165.56	6746942.822	7181449.472	6140319.541	6866465.024
11.85_776.5446m/z	776.5445945	11.8477	neg	PE(16:0/18:0(11Cp))	LMGP02011265	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			46.6	44.5	M+FA-H	C40H78NO8P	-0.155101267	866553.8147	644505.3464	547521.2497	519547.3218	525905.6798	539138.9591	698490.1306	730703.2132	669409.9223	880277.1657	865913.3004	601720.8775	712438.8203	137457.3666	659311.7426	796533.5428	822570.1027	867805.7483	754606.0338
4.12_190.0895m/z	190.0895328	4.11915	pos	Prenyl-L-cysteine	66519	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	*		46.6	38.4	M+H	C8H15NO2S	-0.493958112	10193.94103	11778.89377	10614.33684	7999.098371	8781.086389	9397.998858	7987.465451	19870.92347	21400.63357	9978.238813	6737.902114	14837.80976	8287.442535	7777.960056	7573.191708	8145.879596	9302.347446	9058.627154	8095.297655
4.61_201.1123m/z	201.1122968	4.6053	neg	"9,10-dihydroxy-2-decenoic acid"	LMFA01050428	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			46.6	40.2	M-H	C10H18O4	-4.629945264	19984.83996	21412.15148	20438.99431	11322.00671	17572.92277	32697.39283	13611.91709	32184.0077	48182.93007	30193.68395	17588.01244	24393.40417	15439.80769	19630.77124	15654.4039	10298.69144	14972.88895	13447.0962	13691.58431
7.77_394.2713n	412.3050929	7.771166667	pos	Norcholic acid	LMST04060019	Lipids and lipid-like molecules	Sterol Lipids	Bile acids and derivatives			46.6	39.8	"M+NH4, M+Na, M+H-H2O"	C23H38O5	-1.666179451	8859.701483	9273.700795	9974.964847	5446.978757	3923.349396	712.8629699	5199.74466	1116.203699	16121.06424	2292.778733	6695.642399	14684.01587	4419.350504	11741.49658	50976.05212	5474.87313	11910.19669	17374.06911	4859.691419
8.41_318.2997m/z	318.2997451	8.40865	pos	17-hydroxy stearic acid	LMFA02000135	Lipids and lipid-like molecules	Fatty Acyls	Octadecanoids			46.6	39.5	M+NH4	C18H36O3	-1.749760414	7569.921536	7177.725736	7402.844176	9271.561591	12808.25248	5412.355514	6024.705019	7215.297441	7783.738256	7766.075935	7503.423306	7292.600901	8665.183638	7699.480031	8876.821527	8358.409294	7134.266044	12304.70883	7207.523754
9.56_318.2997m/z	318.2997369	9.55945	pos	Phytosphingosine	7066	Organic nitrogen compounds	Organonitrogen compounds	Amines	**	C12144	46.6	37.3	M+H	C18H39NO3	-1.681994891	1674.654432	2602.452689	2217.624759	1075.741086	1581.151688	1570.246464	1650.539197	5658.287942	3747.59693	1389.662606	1483.447693	2837.253684	1402.770773	1068.255611	733.5501117	844.4034803	1070.859219	881.7874966	1047.603603
0.70_203.1501m/z	203.150074	0.695266667	pos	Asymmetric dimethylarginine	HMDB0001539	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***	C03626	46.5	43.3	M+H	C8H18N4O2	-0.881763135	420590.2759	467840.2968	389025.6687	481267.5706	435216.4862	395377.0376	349342.2833	609789.7624	510526.5735	369715.2415	410011.0839	575062.307	355207.3075	421918.3091	398452.0784	446824.7282	409142.0736	452530.8089	448137.914
11.52_299.2574m/z	299.2574176	11.52178333	pos	9-hydroxy-12Z-octadecenoic acid	35484	Unclassified	Unclassified	Unclassified			46.5	41	M+H	C18H34O3	-2.192012923	37628.25042	32827.03726	35869.59181	35550.79252	35857.12238	34074.5563	34435.84495	36305.73958	38001.96959	34976.54219	37273.0086	36130.49935	33534.20719	33234.02968	35706.28186	36973.43844	34043.48914	36680.31936	34360.58543
11.78_464.3142m/z	464.3142209	11.78411667	neg	PE(P-18:0/0:0)	LMGP02070002	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			46.5	35.9	M-H	C23H48NO6P	-0.918775793	179683.602	158602.3278	168752.5016	189162.0223	203849.4333	183768.6283	207605.151	209691.6665	211452.821	138201.2689	177294.7944	251019.9181	222741.1932	202904.643	181066.8183	188792.0917	178668.407	178304.4844	172044.4497
12.12_582.3776m/z	582.3775547	12.12256667	neg	PC(19:0/0:0)	LMGP01050041	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			46.5	38.2	M+FA-H	C27H56NO7P	-0.163677707	22415.91418	19509.87295	21170.30121	22841.75444	23634.98958	23786.17117	25592.1239	17694.27255	17874.16069	22569.07607	27435.29289	20803.07644	26483.27374	20346.5794	22365.62098	25063.4301	24970.4207	26824.24785	19764.08004
2.97_245.1139m/z	245.1139463	2.966683333	neg	Leucyl-Aspartate	HMDB0028925	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			46.5	39.9	M-H	C10H18N2O5	-1.417743896	1596.618519	1384.855039	1746.642809	1033.682284	1783.469911	1587.522583	1970.94979	544.834485	610.1053597	1623.306534	1639.670399	596.9553745	2572.592996	2940.201727	1853.941966	1441.846968	1913.977586	1169.530485	2918.921935
4.94_377.1449m/z	377.1449129	4.9422	pos	1-(3-Methyl-2-butenoyl)-6-apiosylglucose	HMDB0039952	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		46.5	38.2	M+H-H2O	C16H26O11	1.749425492	3217.203895	3576.950151	3226.138144	4490.839152	2722.368913	2949.773881	2454.279293	2856.590748	2361.271565	2435.588036	2824.389104	3798.197251	3804.897279	3418.702689	5013.836763	3935.063896	3876.48203	3896.208312	3467.54528
9.19_335.2229m/z	335.2228764	9.189833333	neg	8-iso-PGA1	36382	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*		46.5	38.8	M-H	C20H32O4	0.27746649	2270.166311	2410.627292	1979.783639	2766.275886	2569.442824	5416.847313	3587.412394	1574.740695	831.4178995	2078.039557	2177.153478	2626.663807	5646.742853	5006.120553	3759.407925	2060.209773	3192.405174	2072.302538	2263.136661
0.46_247.1699m/z	247.1699322	0.457466667	neg	2-Butylfuran	HMDB0040272	Organoheterocyclic compounds	Heteroaromatic compounds	Unclassified			46.4	42.4	2M-H	C8H12O	-1.697760628	23055.80348	22597.67159	22429.56967	21379.44052	22760.7618	21137.93085	21896.22312	22599.07076	21709.66069	22810.21752	22939.08339	21938.69889	22905.10382	23349.93198	22668.03307	22694.17726	21767.09318	22399.26026	21113.70596
1.98_209.0918m/z	209.0917926	1.98295	pos	Kynurenine	72	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds	**	C00328	46.4	44.2	M+H	C10H12N2O3	-1.326607824	3740.904216	3778.991789	3770.309211	2175.037988	3755.978526	2620.76184	2070.737318	5002.325826	5747.864378	2786.858935	2241.292297	14437.15638	2094.637287	1954.474843	4013.019379	2227.116037	2638.045073	2345.364669	3457.549805
10.07_410.2660m/z	410.2660202	10.06806667	pos	CPA(16:0)	LMGP00000057	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphates	*		46.4	37.8	M+NH4	C19H37O6P	-1.480852843	31250.86213	30364.39334	32637.68764	37281.23034	30650.34336	31479.19754	39302.50966	21717.49776	27961.9713	29261.51661	39313.30106	29909.80053	37813.32358	38657.98749	37271.93639	31762.36683	31419.42991	29835.5021	40370.69921
10.26_357.2780m/z	357.2780327	10.25731667	pos	Tetracosahexaenoic acid	HMDB0002007	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		46.4	40.1	M+H	C24H36O2	-2.172818739	5710.431494	6608.360724	6970.013973	11385.88419	5878.337144	3700.559161	7337.015732	118.8907127	114.2206445	7172.368333	7898.836625	294.2387772	4793.592507	5721.5552	11814.7579	10613.52011	18519.82569	15376.5977	3155.308853
11.19_555.2727m/z	555.2727291	11.1889	neg	OKOHA-PA	LMGP20070025	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			46.4	34.5	M-H2O-H	C28H47O10P	-0.198741336	326144.8143	279980.9436	284911.2743	377941.8475	481585.6729	553486.2762	375742.1214	305633.0053	195754.6953	364334.3314	389697.8932	290940.9167	277707.4536	237962.7482	362324.2677	400688.63	401713.4855	469355.0412	389805.9826
3.56_381.1289m/z	381.1289295	3.556983333	pos	2-Phenylaminoadenosine	HMDB0001069	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Unclassified			46.4	40.7	M+Na	C16H18N6O4	2.11004921	9814.136559	12037.79077	9784.034838	14669.17302	8877.369682	24512.69285	5102.79185	11668.60169	12629.62643	11320.2575	10217.82527	14767.5524	10143.25353	6951.04149	8637.272481	9616.713368	6758.467476	8818.928928	6692.846598
3.76_260.1368n	259.1297184	3.764833333	neg	Glutamylisoleucine	HMDB0028822	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			46.4	35.9	"M-H2O-H, M-H"	C11H20N2O5	-1.627464198	48793.87638	50589.77806	49841.14433	45304.54901	58224.32265	54314.62718	47073.90422	54928.90907	55608.17396	57099.94867	44070.63488	57849.29238	49922.09968	48546.31898	52974.09006	47297.80675	52970.49502	48189.64648	54689.47693
4.04_447.2235m/z	447.2235243	4.038033333	neg	5S-HETE di-endoperoxide	LMFA03000011	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			46.4	35.7	M+FA-H	C20H34O8	-0.115990042	1033.229163	1587.421436	1208.622704	3060.371462	793.3255999	7635.240619	96.92967518	0.000297236	0.000297236	5764.65522	1997.615847	0.000297236	387.4645898	111.8109865	957.040161	551.6755233	2238.069254	971.1671581	313.5696787
9.98_288.1986m/z	288.1986299	9.984766667	pos	CAY10444	44894	Unclassified	Unclassified	Unclassified			46.4	43.4	M+H	C15H29NO2S	-1.903780995	12084.93854	16067.32194	14481.21892	9787.351833	20436.6637	13819.43526	13488.82979	18361.93509	25883.81156	12125.87064	10483.96	14907.56613	16528.05719	17508.20436	11595.32695	14308.45893	12011.15325	16225.19571	11425.22376
0.75_323.0285m/z	323.0285064	0.746966667	neg	Uridine 5'-monophosphate	HMDB0000288	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleotides	Pyrimidine ribonucleotides	***	C00105	46.3	36.3	M-H	C9H13N2O9P	-0.258685993	89465.0123	89694.35922	100697.3156	74695.11696	109917.4674	108444.6938	135536.4554	121768.6668	127548.2412	122273.1056	106604.1183	99202.08032	93940.56995	81632.19879	89338.86584	88128.64701	88777.71721	69142.01698	80267.05104
1.10_261.0534m/z	261.0533833	1.0977	pos	Dihydrodeoxy-8-epiaustdiol	HMDB0031668	Organoheterocyclic compounds	Azaphilones	Unclassified			46.3	43.4	M+K	C12H14O4	4.576228551	114080.3141	124590.2284	110919.0383	135986.6476	91670.32587	121009.3096	81626.38505	99968.21264	100663.4681	96316.09429	91339.74718	136988.407	110591.6489	92974.29593	104487.9058	115316.877	116908.5828	152743.6686	127335.5248
1.46_217.1313n	218.1385706	1.457516667	pos	(±)-Propionylcarnitine	85176	Unclassified	Unclassified	Unclassified			46.3	34.5	"M+H, M+Na"	C10H19NO4	-0.524907205	85109.93206	86108.54179	88192.57051	127831.3367	69083.82383	138530.3141	94864.15102	39050.6981	41555.20062	93240.03733	99383.28363	62246.54155	91677.26934	78098.94206	91565.07946	77644.79368	99438.13503	95207.60291	81592.83707
10.02_556.3257m/z	556.325678	10.02045	neg	PS(O-18:0/0:0)	LMGP03060002	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			46.3	34.2	M+FA-H	C24H50NO8P	0.138803166	11941.29473	10711.93099	11420.72873	11555.33257	10969.32626	11802.15998	15327.67069	11879.62274	16451.70325	11957.7414	12969.1346	11671.47953	12637.03988	12581.54794	12371.15325	11514.9931	15046.8868	10942.32717	12424.45079
2.14_263.0694m/z	263.069354	2.13775	pos	gamma-Glutamyl-S-methylcysteine sulfoxide	HMDB0031863	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			46.3	40.2	M+H-H2O	C9H16N2O6S	-0.946088318	12084.19662	13706.76953	12597.65692	4409.897213	5042.20894	7309.340916	3004.01541	42940.6523	62608.40581	5313.793603	4008.17052	30086.17094	9651.482003	7064.47422	6312.442894	5340.776369	7616.403265	6885.662966	9015.774583
4.42_374.1225n	419.1208216	4.4158	neg	Geniposidic acid	HMDB0034942	Lipids and lipid-like molecules	Prenol lipids	Terpene glycosides	*	C11673	46.3	39.6	"M-H, M+FA-H"	C16H22O10	3.156909468	2652.616958	3057.950526	2558.718185	3677.433906	2281.037416	3207.293316	3042.794493	1998.497112	2070.938517	2894.325173	3885.007512	2461.290193	2933.444884	2609.259673	3455.849262	5361.088828	3120.907887	3807.896067	3230.826631
4.45_214.1206n	215.1250838	4.451533333	pos	alpha-Carboxy-delta-decalactone	HMDB0030985	Organoheterocyclic compounds	Lactones	Delta valerolactones	*		46.3	33.9	"M+H-H2O, M+H"	C11H18O4	0.343261159	6725.923641	8056.123106	7250.571854	10159.27703	7626.629141	7384.294272	9302.822627	8713.506618	9023.414575	8649.804306	9459.00711	9810.091016	10100.69616	8496.47737	10376.5016	9588.967274	8965.754659	9082.52728	8879.200337
4.74_203.1155n	204.1228066	4.738216667	pos	Succinylmonocholine	2522	Unclassified	Unclassified	Unclassified			46.3	34.3	"M+H-H2O, M+H, M+Na"	C9H17NO4	-1.086011525	39133.62874	39213.00761	37599.1495	44054.14585	28721.85463	50416.30459	30191.7966	34999.12272	26111.23767	33351.59997	24724.7666	47015.25971	39091.83802	35936.37096	49332.09841	30937.36746	41780.36386	45046.011	65977.14631
0.56_146.1652m/z	146.1652278	0.562316667	pos	Spermidine	254	Organic nitrogen compounds	Organonitrogen compounds	Amines	**	C00315	46.2	32.1	M+H	C7H19N3	0.370413676	16760.78609	16367.86264	11135.81091	17899.98518	20406.86333	14097.46925	11867.98056	18020.29141	25722.73517	12286.58448	16369.93544	25363.14662	19558.53591	16287.29865	9671.192399	10657.60747	18140.39295	21174.92528	15901.56768
0.68_289.1153m/z	289.1152745	0.677333333	neg	Argininosuccinic acid	389	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C03406	46.2	40.9	M-H	C10H18N4O6	-0.287350014	9973.178361	9806.864457	9034.000827	9246.699276	7228.806093	10799.26106	8190.119488	9697.037302	13555.65716	9350.986549	13322.6096	7982.572771	5771.568784	9560.712744	7225.617498	7653.251838	10694.96696	11682.86552	13070.95048
11.23_556.2793n	557.2866011	11.23123333	pos	"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	80004	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoglycerols			46.2	37.4	"M+H, M+Na, M+H-H2O"	C28H45O9P	-1.42904472	131793.3527	121013.5302	133242.6218	159662.8168	180661.5047	198660.4538	145213.266	120049.3185	69954.87416	136901.239	149424.4308	115430.0172	95466.52946	86104.40919	148998.0436	164057.1491	152616.2677	193593.6441	144622.2379
3.96_175.0600m/z	175.0600438	3.9553	neg	2-Isopropylmalic acid	HMDB0000402	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***	C02504	46.2	40.1	M-H	C7H12O5	-6.550292183	9191.745906	9664.333946	9261.236249	5749.872417	24644.81816	6946.164601	7227.767966	11259.1965	8986.827504	6086.972196	8092.383644	13463.19977	9112.363911	8787.698736	6917.11392	10330.12776	6292.513027	8885.946135	9870.802727
4.22_251.0846m/z	251.0845848	4.224166667	pos	Brassicanal B	HMDB0038592	Organoheterocyclic compounds	Indoles and derivatives	Indoles			46.2	39	M+NH4	C12H11NO2S	-1.245575807	2906.691858	3485.48417	3164.701607	592.0571382	4339.649209	3348.513532	516.4855532	11712.68877	11861.58354	2467.981911	465.1115405	7957.807093	975.6269264	604.4801464	633.2179524	1379.025474	952.0859766	2029.615216	613.8250386
4.61_264.0876m/z	264.0876371	4.6053	neg	2-(2-Phenylacetoxy)propionylglycine	HMDB0059732	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			46.2	36.3	M-H	C13H15NO5	-0.411337546	1275.363263	1291.122163	1347.133783	1071.677533	1209.355431	549.0822457	906.3223598	4592.371032	2307.224538	325.6052241	739.7290952	3463.486133	1067.500788	1109.054211	872.0947722	605.3727739	970.2871619	1213.152137	750.1003409
8.85_453.2859m/z	453.2858664	8.845733333	neg	Cholic acid	HMDB0000619	Lipids and lipid-like molecules	Steroids and steroid derivatives	"Bile acids, alcohols and derivatives"	**	C00695	46.2	36.6	M+FA-H	C24H40O5	0.218277787	4994.151285	4918.01135	4236.676693	4200.143014	531.8908396	2643.211297	1274.247953	66.31907698	1402.810406	15234.27286	10537.5833	989.5065275	663.4294914	921.2056469	15137.79158	405.6416545	3728.274979	7260.203119	4008.446078
0.44_371.1007m/z	371.1007422	0.439416667	pos	Zopiclone	HMDB0015329	Organoheterocyclic compounds	Pyrrolopyrazines	Cyclopyrrolones			46.1	50.8	M+H-H2O	C17H17ClN6O3	-2.66849075	2675211.305	2815706.625	2687965.026	2670392.574	2606356.202	2752879.059	2544842.903	2583808.271	2457095.013	2496895.66	2675660.471	2924864.542	2871203.787	2877739.415	2829913.75	2810840.045	2652750.843	2782776.673	2438938.302
0.60_305.1587n	304.1514556	0.6019	neg	Syndesine	HMDB0039161	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			46.1	35.3	"M-H2O-H, M-H"	C12H23N3O6	0.152311422	9306.6158	11134.84288	8707.339532	12155.46083	10936.09209	11359.00949	7984.353863	6297.696773	7778.184337	9662.534388	9201.045572	7712.939933	11958.17404	11245.39167	10898.88993	12132.98052	10286.35264	13343.21155	10717.67198
1.30_363.1206m/z	363.1206177	1.296916667	pos	AF Toxin II	HMDB0033504	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		46.1	42.1	M+K	C17H24O6	0.528074894	16038.98883	17332.14912	18675.98563	17913.29558	13982.32146	17991.95717	14141.45729	10150.71177	12294.69874	18147.25725	15777.37826	11959.29613	19210.1514	16934.94044	13233.58922	17306.84381	18457.15558	15387.95197	20615.66588
10.80_290.1724n	313.1615154	10.79778333	pos	1-Octen-3-yl glucoside	HMDB0032959	Lipids and lipid-like molecules	Fatty Acyls	Fatty acyl glycosides	*		46.1	36.7	"M+H, M+NH4, M+Na"	C14H26O6	-1.825261621	56570.56215	39799.2571	54723.21952	55620.12561	51838.20744	51652.19738	51468.92251	53775.99563	52264.90512	56263.16931	53499.3821	41475.2638	42375.53126	48115.05774	50119.27844	52793.57354	53343.716	56291.93155	51679.95295
15.64_235.1688m/z	235.1687608	15.64291667	pos	3-Methyl-5-pentyl-2-furanpentanoic acid	HMDB0112086	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates			46.1	48.6	M+H-H2O	C15H24O3	-1.965044142	156380.1427	139197.8269	140825.0746	150488.431	142075.7149	146436.47	152472.5408	155078.9773	148921.5028	157158.7312	164902.7479	137526.0466	143077.0015	135496.9841	147533.0019	148389.3805	140826.5769	148307.6119	147468.0298
15.72_124.0526n	107.0493595	15.71671667	pos	"trans,trans-hepta-2,4,6-trienoic acid"	LMFA01030781	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			46.1	38.2	"M+H-H2O, M+NH4"	C7H8O2	1.759447592	26024.30516	22635.14903	25339.94845	27019.21736	25512.32569	28982.19899	27291.89368	27355.72824	26142.90404	25123.62481	28003.74571	23673.65795	24585.47823	24520.90154	27572.80414	26593.22485	24678.08423	26338.47042	24635.13931
15.78_105.0701m/z	105.0700692	15.77676667	pos	"2,4,6-octatrienal"	LMFA06000036	Lipids and lipid-like molecules	Fatty Acyls	Fatty aldehydes			46.1	39.8	M+H-H2O	C8H10O	1.5770793	14813.37946	11326.1548	12892.52879	12987.06627	13908.99956	15393.68794	16374.414	15769.51156	14741.44808	15204.72981	16837.89802	11143.12702	11781.19257	11787.13886	12344.53563	12377.29578	12200.4366	12101.99106	11997.65737
4.35_410.1553m/z	410.1552584	4.346933333	pos	EZETIMIBE	43875	Organoheterocyclic compounds	Lactams	Beta lactams			46.1	42.5	M+H	C24H21F2NO3	-2.365993783	3820.308062	4011.28871	3582.793518	3065.902965	3442.381361	3865.483339	3127.018122	4512.656074	3222.993497	3244.059772	3236.376938	5363.856426	3003.22114	3688.342511	4090.424909	3476.21941	3625.656061	3455.432587	3936.0037
4.80_348.2027m/z	348.2026938	4.795966667	neg	3-hydroxyoctanoyl carnitine	HMDB0061634	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		46.1	37.6	M+FA-H	C15H29NO5	-0.270896234	922.3498044	619.4620423	890.8295058	505.7108599	728.7008571	718.4494209	512.6856863	2016.786603	3221.791823	560.1942797	753.7923542	1284.107183	339.0131326	464.1318271	683.3646878	825.4294506	750.1384706	714.0556013	723.8237715
4.98_206.0809m/z	206.0809049	4.982933333	pos	5-Methoxyindoleacetate	7016	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives	**	C05660	46.1	34.9	M+H	C11H11NO3	-1.290880446	2147.042177	2245.003613	2292.465835	789.7840559	3534.925347	2393.860647	3143.929892	256.6058671	1452.372565	5882.293926	1633.507911	1361.092241	3123.726341	2902.704637	2314.37971	1699.620451	1985.725298	911.9866473	1389.598104
9.67_440.3365m/z	440.3364924	9.665583333	pos	O-(17-carboxyheptadecanoyl)carnitine	LMFA07070085	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			46.1	37.9	M+H-H2O	C25H47NO6	-1.219189462	12071.1198	13102.56227	11995.37433	9390.210442	8735.474555	18136.0878	8788.853457	30613.45196	24610.64289	11760.7874	9459.933175	21186.36406	18288.92971	17275.84884	9863.071956	9047.003692	12327.20371	9610.688723	12089.76896
1.92_281.1129m/z	281.1128793	1.924716667	pos	Aspartylphenylalanine	HMDB0000706	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		46	35.5	M+H	C13H16N2O5	-1.138047308	16007.89972	16191.90577	15847.97449	11327.68755	22916.10997	14339.16505	22150.21856	8539.116591	8561.526862	20197.50584	17508.21663	7244.216437	19169.59872	22891.65336	20974.31886	18356.4447	20160.83707	13299.746	19971.73059
10.84_539.3580n	540.3652976	10.83978333	pos	PS(O-20:0/0:0)	LMGP03060001	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			46	35.6	"M+H, M+Na"	C26H54NO8P	-1.266585764	49846.83949	42224.32627	42168.01142	47842.98975	42244.43511	39777.16851	51565.96487	31405.57891	45837.88047	40741.6193	51079.51777	37501.94584	45146.2615	41480.43052	51854.79394	53750.9362	52416.05004	47619.97838	45280.3921
3.60_304.1501m/z	304.1500784	3.598316667	pos	Nicotianamine	66305	Unclassified	Unclassified	Unclassified			46	35.8	M+H	C12H21N3O6	-0.770006399	9702.227616	10577.71959	9732.430935	9801.193064	11991.80438	17913.64418	10011.82875	5770.423589	6030.325025	15418.78545	8253.853317	8355.368403	8394.329542	7547.213634	9573.129025	8394.353933	10716.47268	8746.748873	8550.93044
3.76_376.0793m/z	376.0793092	3.763516667	pos	1H-Indol-3-ylacetyl-myo-inositol	HMDB0031182	Organoheterocyclic compounds	Indoles and derivatives	Indolyl carboxylic acids and derivatives			46	43.4	M+K	C16H19NO7	-0.002432509	16078.90432	16985.11646	15888.26997	20971.89153	15777.32404	42305.75638	8083.121002	28173.42605	32751.15236	20475.75296	15713.13777	18876.01166	12961.91598	8723.710749	12139.54899	15677.44408	9092.761302	11247.71451	6818.820966
0.46_219.1746m/z	219.174605	0.457466667	neg	Geranyl 3-methylbutanoate	HMDB0029350	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohol esters	*		45.9	35.6	M-H2O-H	C15H26O2	-3.501359476	734237.2417	689465.0561	648166.4428	626724.2989	665247.1112	599704.4137	632548.0787	608469.5336	628936.8326	672585.3667	645009.4964	676749.506	632423.5495	649707.7204	648812.085	677956.5555	645743.2398	641381.1758	566216.2076
0.76_134.0270m/z	134.0270077	0.764	pos	(S)C(S)S-S-Methylcysteine sulfoxide	HMDB0029432	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.9	36.5	M+H-H2O	C4H9NO3S	-0.120814658	460495.5452	456437.1089	473535.1346	357952.4404	724046.701	458594.7928	637904.9361	290489.0911	368429.0955	626283.1392	455988.3019	314078.6475	552133.4551	554351.8696	495401.8622	482077.5765	434072.4112	495981.2248	430095.8404
1.26_284.0985m/z	284.0984909	1.25845	pos	Isoguanosine	66971	Unclassified	Unclassified	Unclassified			45.9	34.3	M+H	C10H13N5O5	-1.604053256	627009.7161	685269.8548	644441.4563	948862.5104	746417.9556	705037.2905	911695.0148	689711.6197	903042.1228	601105.0164	948412.8942	424683.6718	662997.2306	656448.8318	476466.1176	492548.6945	480725.3638	502221.5106	379678.9788
1.77_294.1446m/z	294.1445859	1.768516667	pos	Phenylalanyl-Glutamine	85895	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.9	39.1	M+H	C14H19N3O4	-0.84139588	4105.267072	4773.817198	4839.631641	3259.365376	6505.462253	4470.788544	7927.151054	2208.014051	1613.868015	6096.732468	4194.415695	1797.013523	5678.646256	6204.28267	5807.765845	4343.52927	5451.658827	2904.303481	6227.929839
10.92_498.2820m/z	498.2819924	10.92275	pos	PS(16:0/0:0)	LMGP03050002	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			45.9	34.6	M+H	C22H44NO9P	-1.312492605	183279.122	166873.6865	166898.2594	216285.4625	195487.3906	227026.3884	171940.7517	115397.5994	134963.8562	227042.2724	183231.7362	137611.261	171757.2921	134223.6014	164329.5699	186151.4966	218245.3241	216701.6285	238377.274
11.13_550.3519m/z	550.3518666	11.12618333	neg	PC(17:0/2:0)	LMGP01010714	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			45.9	40.4	M-H	C27H54NO8P	0.795722306	7228.188054	5004.176084	6212.842398	5112.488341	7867.692573	10540.47709	5930.210377	15793.78526	11458.86593	6513.375969	5700.622826	8664.724577	6159.184423	6663.200153	7949.791363	8276.594558	8357.673341	6693.496792	5885.720884
11.89_552.3670m/z	552.3670081	11.89018333	neg	LysoPC(P-18:0)	HMDB0013122	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	**	C04230	45.9	35.9	M+FA-H	C26H54NO6P	-0.137764203	11431.24131	10549.09659	10461.93256	11174.75843	11475.57045	13970.13515	12359.00182	14554.91021	12173.9688	8920.986628	10755.32596	12181.06802	10774.88016	12383.63166	12448.36532	11745.40712	12966.57221	10967.17517	9644.152552
2.47_297.1210n	298.1282334	2.469633333	pos	Phenethylamine glucuronide	61646	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	**	C03033	45.9	32.7	"M+H, M+Na, M+H-H2O"	C14H19NO6	-0.943663648	207544.6867	217032.4664	211510.602	244747.2751	179582.5184	222520.0003	153727.4759	201860.6496	204837.6598	192589.9531	201238.0751	210498.6483	209144.0946	203914.2236	254927.156	241023.8083	220686.1081	273951.3773	237720.3382
3.74_172.9902m/z	172.9902361	3.743483333	neg	Phenol sulphate	HMDB0060015	Organic acids and derivatives	Organic sulfuric acids and derivatives	Arylsulfates	***	C02180	45.9	49.1	M-H	C6H6O4S	-6.707609716	12358.45335	13474.0082	12298.00907	12115.09185	2206.117138	1456.05918	12799.79617	15581.94002	8216.987464	5352.80575	7606.515702	30299.18473	9957.311647	26111.54792	29939.39591	11867.73421	17266.72899	9974.188221	11032.7516
4.04_269.1745m/z	269.1744835	4.0375	pos	Corey PG-Lactone Diol	63037	Unclassified	Unclassified	Unclassified			45.9	37.7	M+H	C15H24O4	-0.940544189	1807.507264	1704.511039	1576.92773	2508.795396	1306.228479	4761.394434	911.7052268	739.4757683	1447.708852	3299.547075	1713.03837	887.7820258	1196.448733	1206.413163	1648.186113	1607.521177	1975.615132	1648.753643	1030.569076
4.87_217.1074m/z	217.1073767	4.869566667	neg	Butyl 3-hydroxy-2-methylidenebutanoate	HMDB0040202	Organic acids and derivatives	Hydroxy acids and derivatives	Beta hydroxy acids and derivatives			45.9	38.3	M+FA-H	C9H16O3	-4.477321271	777.1264117	618.4679913	742.9732413	516.1421106	633.131962	520.9385687	637.2601069	1411.663347	869.9747806	579.8873649	625.3194513	630.1974145	605.8138378	530.8637984	534.5463496	514.6780419	642.0300622	538.8745838	482.3464748
6.54_371.2438m/z	371.2438395	6.54035	neg	TXB1	LMFA03030008	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids			45.9	37	M-H	C20H36O6	-0.195881	6558.669679	8018.045511	7164.039154	9282.959164	4376.535949	10341.52451	5866.441993	469.895453	203.5544335	5012.662849	8526.096749	656.9709589	6630.42659	7880.263201	10244.03246	7531.266482	8382.46615	8944.77387	7750.622707
7.28_355.2488m/z	355.2488184	7.281783333	neg	PGF1α	3503	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	*	C06475	45.9	34.4	M-H	C20H36O5	-0.503744526	6250.084269	4838.889133	4998.515937	7930.865944	2734.478919	5385.168505	3737.36402	6414.605105	4868.743484	3367.486836	4942.21653	4537.870953	5957.855984	8982.58853	7149.438763	5055.356359	6761.733348	6555.736927	9428.287015
9.44_286.2740m/z	286.2739714	9.4351	pos	D-erythro-Sphingosine C-17	41557	Unclassified	Unclassified	Unclassified			45.9	37.8	M+H	C17H35NO2	-0.295712721	2237.811707	2142.817804	2145.670471	1955.222292	2143.668951	2392.147396	2138.048345	1644.375164	2103.89732	1116.828251	2388.350048	2057.413325	2568.245806	2388.58222	2199.847291	2361.687662	2042.468343	2495.40435	2857.337674
0.75_229.1180m/z	229.1180256	0.7465	pos	Prolylhydroxyproline	HMDB0006695	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	***		45.8	32.9	M+H	C10H16N2O4	-1.130456178	492740.294	512051.135	446106.2415	440374.54	358049.2608	358236.4426	419626.828	330284.4356	540057.8454	382639.7822	458932.8239	1125500.112	484430.8103	519997.5382	415421.7423	416350.2516	434513.2772	529933.3168	493726.064
1.06_166.0721m/z	166.0721373	1.062216667	pos	7-Methylguanine	HMDB0000897	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives		C02242	45.8	34.5	M+H	C6H7N5O	-1.205453302	20344.25483	23491.3991	18477.65107	18718.76983	18940.55643	15320.53582	14903.49023	30254.85664	22511.0346	15100.28212	11996.39613	26725.55275	20580.21673	19703.36112	23526.41876	16309.26972	18064.16472	14232.06001	17200.7556
10.13_538.3152m/z	538.3151784	10.12653333	neg	PE(19:1(9Z)/0:0)	LMGP02050019	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			45.8	33.3	M+FA-H	C24H48NO7P	0.27574986	44113.9948	45973.70927	43028.32912	35867.58143	78890.8497	59487.2007	42010.66912	48126.89924	76461.37383	48996.52633	38742.98794	55265.09203	60488.27954	56749.76854	46610.32198	38325.48359	45919.56612	41971.95728	51819.96433
11.21_574.3131m/z	574.3130962	11.21088333	pos	"PS(22:4(7Z,10Z,13Z,16Z)/0:0)"	LMGP03050014	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoserines			45.8	38.5	M+H	C28H48NO9P	-1.480787468	47836.67457	40317.05063	41634.85247	52905.96939	49439.68616	56682.16521	50173.66922	38536.63078	33945.49497	36622.26706	46653.57105	56658.52211	43352.9682	41546.71117	50689.71947	55289.32742	53166.98048	59687.10384	53412.03431
11.23_371.2437m/z	371.2436624	11.23078333	neg	"6-Hexyl-1,4-dioxan-2-one"	HMDB0039582	Organoheterocyclic compounds	Dioxanes	"1,4-dioxanes"			45.8	32.7	2M-H	C10H18O3	-0.671763286	5549.553981	6041.615815	5741.478881	6164.324636	6055.143284	6120.286829	6546.193906	6116.153643	6556.311077	6425.779148	6389.046377	5717.00202	6035.509562	6157.045695	5562.757667	6663.590078	6360.661288	6392.806698	6287.671724
11.38_347.2589m/z	347.2589191	11.38033333	neg	"CP 47,497-C8-homolog C-8-hydroxy metabolite"	85081	Unclassified	Unclassified	Unclassified			45.8	35.3	M-H	C22H36O3	-0.716257468	10301.69933	10520.53777	10373.65288	8912.19977	5027.914668	6473.48822	5742.142509	32098.31371	15919.16334	4901.31348	7079.568621	28518.23888	7998.489778	9993.769222	10521.32248	10581.69725	10364.28122	12598.90931	9339.395107
11.79_465.3212n	466.3284707	11.78948333	pos	PE(O-18:1(9Z)/0:0)	46718	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			45.8	33.3	"M+H, M+Na"	C23H48NO6P	-1.570112621	474323.5902	450970.6622	487609.3966	484839.7026	503801.5807	463167.2799	499050.3556	541663.9494	513746.0483	347549.8251	442139.1372	608214.3284	499599.7055	514163.4428	467088.0465	485964.9755	464764.2256	451936.7057	450254.4258
12.46_330.2761n	331.2834389	12.46341667	pos	MG(0:0/16:0/0:0)	HMDB0011533	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	*		45.8	39.6	"M+H-H2O, M+H"	C19H38O4	-2.863226684	22555.03088	13913.46335	25961.95232	23186.25312	19113.1191	22692.85186	21485.11441	39209.2582	29395.03962	20910.85982	19409.6823	19504.04752	24932.65398	15636.85333	18992.07409	25844.54674	20401.1041	14380.80096	25287.47202
13.07_750.5283m/z	750.5282686	13.06681667	neg	PE(15:0/18:0)	HMDB0008892	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		45.8	35	M+FA-H	C38H76NO8P	-1.118732434	687130.6757	666099.7221	584742.0533	575535.9177	581406.9417	770976.0216	778000.1809	934459.2876	1121395.797	1067045.175	973474.7812	811310.2893	296211.3945	477378.6845	752939.2963	1316651.132	1042514.74	993640.0621	643793.6856
15.80_193.1584m/z	193.1583877	15.79515	pos	8-tridecynoic acid	LMFA01030601	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			45.8	37.9	M+H-H2O	C13H22O2	-1.446309938	42634.46217	41259.85057	40297.54206	42946.03894	41806.05263	42284.34696	44387.67351	43445.92087	43054.58668	46972.84193	47995.49733	40511.48156	40219.93045	36792.21283	41266.9022	43051.68884	39524.48371	40730.28307	41456.46902
9.75_295.1900m/z	295.1899708	9.750733333	pos	"(7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid"	LMFA01050450	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			45.8	36.4	M+H-H2O	C17H28O5	-1.32902802	2562.637514	2616.507692	2651.895084	4998.747262	4762.990114	2587.583098	3945.315684	4556.213751	4909.167567	2994.765049	3598.33173	4163.555219	2804.438925	3943.549722	6223.380004	6774.506189	4990.801084	4689.876649	3322.2286
9.85_498.2628m/z	498.2628122	9.854016667	neg	"LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)"	HMDB0011519	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		45.8	35	M-H	C25H42NO7P	0.399210926	68687.11498	60252.61419	65424.93054	78150.39125	90539.49287	83876.25618	79640.12734	17662.02294	20102.50574	74834.6203	74822.36305	26670.35232	139911.7312	123299.0098	74777.01816	65846.5828	66836.23455	70093.27957	140327.7202
0.44_109.1014m/z	109.1014034	0.439416667	pos	4-Vinylcyclohexene	73021	Unclassified	Unclassified	Unclassified			45.7	31.4	M+H	C8H12	2.096143521	214912.1595	194475.1105	208091.8182	200356.0785	199149.9859	219640.4145	188052.0974	197882.8257	184878.9445	191009.5537	201952.4856	231425.8763	211677.81	195397.3874	198721.5348	183945.9768	180932.8891	204902.9054	179890.507
0.44_158.1305n	141.1271788	0.439416667	pos	6-oxo-Nonan-1-ol	LMFA05000138	Lipids and lipid-like molecules	Fatty Acyls	Fatty alcohols			45.7	33.8	"M+H, M+Na, M+H-H2O"	C9H18O2	-1.314585882	126812.9489	128142.5065	121639.333	125543.4878	116397.522	130132.9406	127027.2019	128974.1415	126324.5889	127245.5606	127635.2184	130201.785	128814.6249	121322.6858	131128.5967	129970.7008	122212.1294	131931.9134	121178.7958
0.66_189.1597m/z	189.1596956	0.660716667	pos	Gabapentin	HMDB0005015	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.7	31.1	M+NH4	C9H17NO2	-0.34319096	91149.24861	96804.9083	94123.53342	86672.31797	110812.1745	83938.9754	101963.2795	97979.96689	74507.40181	84857.53113	78265.42907	98461.54627	85404.65665	94331.28806	87556.27389	93770.85541	103086.3367	102814.56	121484.4082
0.82_144.0421n	162.0758478	0.816033333	pos	3-Methylglutaconic acid	HMDB0000522	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		45.7	31.4	"M+H, M+NH4"	C6H8O4	-1.277303382	477037.2238	493486.7803	467697.5957	509240.9783	444994.3538	554232.0073	510682.2485	520578.9138	476137.957	525668.8481	426046.6336	449590.7239	487768.1568	472572.1439	490903.1771	432453.4302	502203.2533	443260.4095	466537.4166
11.34_278.2473m/z	278.2473089	11.33533333	pos	"(4E,8E,10E-d18:3)sphingosine"	LMSP01080013	Lipids and lipid-like molecules	Sphingolipids	Sphingoid bases			45.7	34.1	M+H-H2O	C18H33NO2	-1.802243438	179613.7551	166165.4161	179786.9024	188136.2071	179638.9402	177024.9942	182470.7214	179662.1227	180952.0529	178990.7367	184208.6704	174064.7909	175997.9525	177725.612	185593.1473	190263.4586	190189.996	187477.6517	179097.7965
11.34_307.2625m/z	307.2625102	11.33533333	pos	"11,12-epoxy-14Z-Eicosenoic acid"	LMFA01070024	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			45.7	37.1	M+H-H2O	C20H36O3	-1.993875854	6148.944986	4990.969265	5805.165512	8039.116094	1530.57587	2530.816506	3884.886748	10040.46301	4818.304127	1924.217961	6695.278531	7739.584481	4902.821659	4763.864323	7435.768453	5005.185809	6971.766061	7668.080621	7719.500991
11.93_652.3831m/z	652.3831446	11.93223333	neg	PON-PE	LMGP20020028	Lipids and lipid-like molecules	Glycerophospholipids	Oxidized glycerophospholipids			45.7	39.3	M+FA-H	C30H58NO9P	0.037299214	15586.33589	28996.45976	26040.20242	6629.497675	13320.10458	4117.884181	7302.764988	464.8494575	502.8418308	3397.304772	10084.78799	3477.284971	6056.46847	4597.48425	4076.076717	9572.617855	3851.105411	4713.467811	4080.257522
2.39_265.0828m/z	265.0828424	2.3943	neg	5-Hydroxy-L-tryptophan	HMDB0000472	Organoheterocyclic compounds	Indoles and derivatives	Tryptamines and derivatives	**	C00643	45.7	31.1	M+FA-H	C11H12N2O3	-0.693810114	8865.2103	9332.292878	9259.735051	8450.702012	11012.41515	10154.09585	8896.731509	9284.351521	7891.049689	12794.47462	7695.796121	6496.02673	8294.788931	9599.308462	10261.87949	10544.24418	11549.89246	9435.251942	7842.225134
4.14_553.2085m/z	553.2084767	4.140466667	neg	"5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B"	HMDB0029626	Lipids and lipid-like molecules	Steroids and steroid derivatives	Physalins and derivatives	*		45.7	52.5	M-H2O-H	C30H36O11	0.971344761	974.3873159	993.0935556	1262.963158	1351.383448	1156.352532	1023.192291	854.3764147	2790.034647	2331.543273	908.6429743	1169.369196	1282.475875	328.0325448	729.0720371	981.8355354	737.0991748	823.2926759	1106.711373	909.3472979
4.18_159.0650m/z	159.0650224	4.183033333	neg	3-Methyladipic acid	HMDB0000555	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	***		45.7	40.3	M-H	C7H12O4	-7.871497431	4675.507663	4721.722692	4598.173583	4088.418532	4523.460181	4722.91932	4359.165079	8122.162359	4908.431566	4302.980911	4397.639601	4586.107263	4416.155738	3953.216578	4645.290474	4085.617389	4664.028582	4346.288617	4044.508994
0.31_192.1512n	193.1585213	0.30925	pos	"(E)-5,8-Megastigmadien-4-one"	HMDB0034671	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			45.6	32.9	"M+H-H2O, M+H"	C13H20O	-1.301286856	77159.08661	65598.45144	68973.34103	69228.9228	67016.99457	71580.06591	70009.34095	72522.65382	68719.68614	72809.45281	76102.77661	68893.30831	68678.04889	69072.66227	69149.09708	69673.2859	63953.40459	71516.40086	62297.65369
0.44_261.1493m/z	261.1493053	0.435666667	neg	"5-Acetoxy-tetradeca-2E,4E,6E-trienoic acid"	LMFA01050551	Lipids and lipid-like molecules	Fatty Acyls	Fatty Acids and Conjugates			45.6	33.6	M-H2O-H	C16H24O4	-1.11645407	19445.55457	14176.15019	15944.12028	15039.64098	15182.92405	13652.65742	14894.92329	14349.14478	14201.39784	14668.55498	13737.2863	17218.62727	19234.21836	19594.01328	18879.1457	18098.54993	16046.09485	17289.13615	15660.80448
10.24_423.3341n	424.3413342	10.23813333	pos	Linoleyl carnitine	HMDB0006469	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		45.6	35.4	"M+H, M+Na"	C25H45NO4	-1.892386298	138285.0232	162289.9242	151518.7404	148713.2117	134477.1615	171144.4984	142696.2951	246956.5375	243181.6811	116156.6227	130613.8809	254738.2662	166441.8412	133501.3254	137210.1547	136032.8077	150445.0923	139927.4962	119816.1333
10.68_1103.6505m/z	1103.65047	10.67961667	neg	Lithocholic acid 3-O-glucuronide	LMST05010066	Lipids and lipid-like molecules	Steroids and steroid derivatives	Steroidal glycosides	**	C03033	45.6	48.9	2M-H	C30H48O9	-1.738357798	84813.05821	77556.41581	88830.57416	94110.90663	84102.34016	104626.1694	107517.7803	53816.46815	85553.70399	77006.42498	79274.45346	91880.99747	122985.8485	114500.7541	93888.56892	105358.5732	91947.52955	94101.3715	106091.686
11.19_810.5293m/z	810.5292693	11.1889	neg	"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)"	LMGP02010973	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		45.6	35.3	M+FA-H	C43H76NO8P	0.276095775	991881.8583	1091892.606	1193926.119	1215569.599	1164013.005	1080752.926	1100804.358	1077394.534	1123758.047	1184742.353	1255695.736	1115413.408	1226434.859	1239510.875	1273320.309	1344303.274	1237038.692	1272409.955	1170020.054
11.21_722.5136m/z	722.5135938	11.21011667	neg	"PE(20:4(5Z,8Z,11Z,14Z)/P-16:0)"	HMDB0009411	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		45.6	34.2	M-H	C41H74NO7P	0.801466554	609096.6504	673073.9485	618348.9237	632955.6602	666885.5859	617147.8643	655036.8857	587660.4523	684352.3988	675668.1478	769617.656	694753.7501	702334.2859	91427.9191	663997.3756	725888.3451	694880.9003	717389.9525	659463.4542
12.63_822.5296m/z	822.5296394	12.62753333	neg	"PE-NMe(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	HMDB0113058	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			45.6	42.4	M+FA-H	C44H76NO8P	0.747937059	211926.4576	160106.3987	158149.5047	229507.7702	171473.6324	247529.27	256558.2819	261434.5249	223830.7328	161679.58	285581.3593	156587.8569	188009.6679	257493.6424	235036.3479	250297.5216	158844.0204	140092.8961	150744.4859
15.50_155.0697m/z	155.06972	15.5042	pos	2-octenedioic acid	LMFA01170085	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	*		45.6	37.8	M+H-H2O	C8H12O4	-3.200068008	1733.413273	1788.621136	1707.825474	2225.054792	1721.660447	1664.781336	1606.959918	1626.134257	1819.51743	1912.201238	1837.318395	1574.145159	1639.145071	1511.256353	2377.407674	1817.403278	1806.477832	2040.334006	1833.367914
15.57_115.0503m/z	115.0502688	15.5656	pos	N-Methylhydantoin	58171	Organoheterocyclic compounds	Azolines	Imidazolines	**	C02565	45.6	34.2	M+H	C4H6N2O2	0.569417884	81591.72499	85496.55443	84772.22124	85615.6367	77900.11009	76202.03296	81419.06497	76915.61485	76653.15067	81226.83005	83357.6888	83080.85147	82349.10927	80740.70391	86691.44058	86534.79477	78640.11907	82608.05039	78786.89964
3.54_187.0631n	205.0969205	3.538083333	pos	3-amino-2-naphthoic acid	34509	Unclassified	Unclassified	Unclassified			45.6	30.4	"M+H, M+NH4, M+H-H2O"	C11H9NO2	-1.012978862	4253556.499	4495337.911	4462385.893	4540009.806	4285649.471	4324591.049	4159897.873	3375331.659	3276043.136	4189036.519	4172492.047	4631439.072	4575475.667	4917966.465	5040795.961	4378529.623	4703551.471	4741070.516	5181014.382
3.85_338.1345m/z	338.1345366	3.847383333	pos	2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine	HMDB0059617	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.6	36.6	M+K	C13H23N4O4+	-1.844081874	3815.818671	4008.461766	3966.098688	3708.89276	3462.27392	4331.347572	3705.029056	3444.146095	3269.099817	3929.420967	3886.948104	5027.199913	3459.601319	4021.847643	3425.041607	3507.793116	4212.453361	4310.954303	3700.227178
3.91_294.1331m/z	294.1331299	3.91085	pos	Lactucin	HMDB0035814	Organoheterocyclic compounds	Lactones	Gamma butyrolactones		C09489	45.6	46.3	M+NH4	C15H16O5	-1.69961605	1336.320584	1565.955704	1660.098849	1451.333871	510.4402622	1514.621604	163.0577063	3819.053542	3368.762674	471.7772897	702.2968302	4131.606217	1175.371595	1126.158346	1254.069758	1045.628229	1697.954139	2181.549459	1908.424368
0.44_113.0963m/z	113.0962558	0.439416667	pos	5-Methyl-5-hexen-2-one	87759	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds			45.5	30.6	M+H	C7H12O	1.466144318	48946.76116	56653.04887	47026.76651	49149.21606	44650.58382	49213.85228	48638.90234	49424.04537	47441.58689	48737.39459	48195.95544	55146.52634	54775.41176	52318.26039	54439.53003	53849.12804	49262.60172	53065.68531	46165.50448
1.06_264.0735m/z	264.073539	1.063433333	neg	8-Hydroxy-deoxyguanosine	HMDB0003333	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Purine 2'-deoxyribonucleosides			45.5	32.3	M-H2O-H	C10H13N5O5	-1.018725243	124714.0359	135647.1621	121362.699	125586.5208	134155.6534	168957.635	131177.9029	102969.4384	104374.71	147010.1452	126126.6749	141495.712	126690.2754	137626.5909	137929.8627	167169.3556	138818.2682	135436.4842	99963.29419
1.26_365.0499m/z	365.0499369	1.259833333	neg	5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-)	HMDB0062708	"Nucleosides, nucleotides, and analogues"	Imidazole ribonucleosides and ribonucleotides	1-ribosyl-imidazolecarboxamides			45.5	33.4	M-H	C10H15N4O9P	-1.233043595	84200.94345	78304.88627	83394.66706	85580.91417	92592.52634	85034.5523	103210.6298	58243.06296	72502.29573	90546.71941	81521.60687	35253.28257	86949.00015	81818.31763	92098.9979	82119.23667	72293.4155	81591.67415	76642.56167
2.06_385.0837m/z	385.0837172	2.057533333	pos	4-Phosphopantothenoylcysteine	HMDB0001117	Unclassified	Unclassified	Unclassified			45.5	41.8	M+H-H2O	C12H23N2O9PS	2.033055432	14854.77196	14923.04391	17705.69611	18446.06089	16330.98673	10232.97135	12927.75642	9347.794702	6193.361202	17982.39147	15974.49263	19086.15697	17905.23193	17437.33956	15993.76318	13931.20028	13578.48015	10962.71321	20350.92848
3.79_330.0750m/z	330.0749523	3.786533333	neg	S-(Formylmethyl)glutathione	HMDB0060507	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	**	C14871	45.5	40.5	M-H2O-H	C12H19N3O7S	-4.518814429	9802.223415	10675.0752	9929.278519	13256.32341	10076.06293	12234.87421	7646.444641	10718.25793	10918.71603	10502.97332	11717.84385	8472.640898	9676.289408	10019.4623	13177.2539	13238.9849	11193.22995	12807.07793	9419.347341
4.00_180.1019m/z	180.1018572	3.9952	pos	beta-Dolabrin	LMPR0102110001	Lipids and lipid-like molecules	Prenol lipids	Isoprenoids			45.5	29.7	M+NH4	C10H10O2	-0.295629847	11532.30556	12326.85845	12031.96825	13373.41051	9100.370915	15471.62132	13163.93144	7974.59158	5060.665987	12897.67226	11419.54293	6698.473443	15970.18355	13678.95979	13117.8299	8780.150222	13381.5586	11005.54265	19380.15944
5.10_361.1387m/z	361.1387091	5.10295	pos	3-Methoxytyramine-βxanthin	64466	Unclassified	Unclassified	Unclassified			45.5	35.4	M+H	C18H20N2O6	-1.954102178	3794.34054	4478.532704	3417.187351	2832.189421	6711.326163	4705.775636	2960.222418	3173.638502	2864.869926	5346.784306	2533.788445	5020.839522	2434.375361	2013.385093	3421.748074	3613.375493	2714.189503	4236.234059	4833.569523
7.30_330.1830n	329.1757303	7.303466667	neg	Carnosol	44853	Lipids and lipid-like molecules	Prenol lipids	Terpene lactones		C09069	45.5	31.9	"M-H, M+FA-H"	C20H26O4	-0.310610478	9977.782042	9539.721665	8844.067993	8344.22058	7648.665626	17623.92186	9988.102601	10532.69137	7247.045081	11400.80834	11983.50808	8148.781546	8138.127093	9543.821997	10709.1577	10653.49865	12922.62524	14369.89859	5055.394201
1.03_195.0895n	196.0967413	1.026666667	pos	Metyrosine	HMDB0014903	Phenylpropanoids and polyketides	Phenylpropanoic acids	Unclassified		C07921	45.4	31	"M+H-H2O, M+H"	C10H13NO3	-0.340530531	10913.9033	7520.603407	10447.35025	181.0515793	2392.915524	0.000297236	238.3664605	494.9991743	121640.5148	105.4379896	91.64123995	80759.08874	0.000297236	61.40464078	206.0408564	151.9625912	272.1117494	354.7891521	43.84728124
1.06_272.0766n	273.083848	1.062216667	pos	Pyridine N-oxide glucuronide	HMDB0061177	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates			45.4	37.1	"M+H, M+Na"	C11H14NO7+	-1.672998835	3301845.462	3224256.564	3037224.577	3453673.303	3005185.102	2800452.157	2880284.63	3091470.607	3012732.901	2909968.37	2956614.172	3479424.232	3339522.499	3338927.776	3772821.727	3792432.752	3117231.169	3068726.043	2927730.858
1.53_306.1195m/z	306.1195096	1.526883333	neg	Lotaustralin	HMDB0033865	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C08334	45.4	29.2	M+FA-H	C11H19NO6	0.265646707	31339.54105	31682.80548	31563.08755	31112.95601	22112.3981	103829.4865	18251.40422	77335.88512	94925.7519	38030.62195	22072.06314	21430.16529	19578.65601	13627.5479	11981.11298	16470.81375	12550.87374	15037.29296	9624.204957
10.65_342.3360m/z	342.3359556	10.65311667	pos	3-Methyl-3-butenyl hexadecanoate	LMFA07010635	Lipids and lipid-like molecules	Fatty Acyls	Fatty esters			45.4	34.6	M+NH4	C21H40O2	-2.159807656	21114.21231	20137.92637	20548.64879	14824.26192	32380.85903	27800.45333	19533.67129	7877.603832	10609.03885	16337.35883	15946.12564	11752.41707	28431.50052	20119.68095	17145.92495	18271.94758	17639.51227	22355.0863	22289.02367
11.67_508.3393m/z	508.3392762	11.66696667	pos	LysoPE(0:0/20:1(11Z))	HMDB0011482	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines	*		45.4	33.5	M+H	C25H50NO7P	-0.965512684	29032.33218	27395.11406	27847.16617	28733.86421	31486.88034	27280.27828	28344.17473	22346.96375	23328.37315	22467.37974	23066.53931	30211.19511	32163.05426	30931.689	27837.13087	29531.8609	31625.11017	25675.75862	32509.84816
6.81_246.1698m/z	246.169804	6.806916667	pos	pivaloylcarnitine	96200	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	*		45.4	41.3	M+H	C12H23NO4	-0.737016968	1884.961558	1693.021393	1667.746139	1163.64097	2264.001084	2092.740507	1054.513564	2111.810163	2500.805144	1375.764383	1790.773722	1259.745389	2329.251082	2324.858737	1971.743121	2018.518714	2348.444073	1501.437405	2400.777808
7.75_222.1129m/z	222.1128848	7.749183333	neg	N-(3-oxo-octanoyl)-homoserine lactone	LMFA08030004	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides		C11841	45.4	34.6	M-H2O-H	C12H19NO4	-2.828875555	1201.497397	1039.341496	1158.917144	1084.754851	262.8549465	320.8586173	1523.174736	1602.873613	3025.529348	301.179514	2018.398814	3038.813416	202.8017542	223.5736592	787.0041275	697.2689603	942.6157068	1084.63855	164.7563415
0.44_152.0472n	153.0544503	0.439416667	pos	4-Hydroxyphenacyl alcohol	69611	Organic oxygen compounds	Organooxygen compounds	Carbonyl compounds		C13635	45.3	28.4	"M+H-H2O, M+H"	C8H8O3	-0.774496294	96717.99918	81266.58753	88178.51325	88886.17937	85858.07075	94733.07828	91456.22671	94918.06432	92074.88532	93585.51273	96832.95554	87043.90063	85221.02965	85633.02134	92496.52986	93266.52778	88186.37103	95607.6007	83925.36483
0.63_218.1499m/z	218.1498702	0.62635	pos	Alanyl-Lysine	85608	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.3	31.1	M+H	C9H19N3O3	-0.219567731	17115.72867	16626.75084	15674.22241	19234.96035	26593.70331	17258.09233	19508.84597	17602.02527	8667.786914	19050.41229	17474.87965	11660.93497	10269.67567	14132.58379	16942.63276	13751.84105	14473.55869	14339.29546	13125.55705
0.73_308.0985m/z	308.0985495	0.7299	neg	N-Acetyl-a-neuraminic acid	HMDB0000773	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates		C19909	45.3	30.6	M-H	C11H19NO9	-0.502402079	141516.0744	137454.6251	142256.5598	120618.118	118791.5623	112935.2133	137748.1043	253331.9435	232487.563	145119.1539	144380.8468	168415.4253	120154.2832	134669.2709	133238.8081	136499.2835	141364.4938	129413.4614	129830.9949
1.63_247.0745m/z	247.0744984	1.6338	pos	N-Acetylcystathionine	HMDB0002381	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.3	35.3	M+H-H2O	C9H16N2O5S	-0.779784742	20374.76425	22180.81494	22047.72187	12409.72603	25142.54425	23192.27513	34950.43435	8888.311702	11226.73791	34477.08486	20533.58073	7183.69752	38097.00038	38658.67014	21540.23635	20201.15481	26830.11542	8251.960548	17691.0776
10.42_450.3571m/z	450.3570904	10.42206667	pos	Rockogenin	HMDB0033769	Organoheterocyclic compounds	Diazanaphthalenes	Benzodiazines	*		45.3	32	M+NH4	C27H44O4	-1.607739201	31396.31666	30094.30811	28627.64532	34643.26328	27844.0344	42795.38659	33213.18508	34464.93843	40458.31575	33686.25136	29838.33406	38992.46075	36429.11907	32261.10725	25449.74049	26748.81326	29121.52906	26947.66512	29710.46462
11.29_490.3286m/z	490.3285764	11.2942	pos	PE(20:1(11Z)/0:0)	LMGP02050020	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			45.3	34.1	M+H-H2O	C25H50NO7P	-1.231735696	10180.00037	8427.454393	9351.595154	8756.923072	6101.823121	5201.434296	9532.037851	12720.27508	12629.45462	4579.585791	9017.822774	16646.55558	5910.89163	5575.510823	11872.78455	12727.86619	11205.76306	11674.89357	4829.019883
12.59_824.5444m/z	824.5443905	12.58548333	neg	"PE-NMe(16:0/22:5(4Z,7Z,10Z,13Z,16Z))"	HMDB0113056	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphoethanolamines			45.3	37.7	M+FA-H	C44H78NO8P	-0.40727702	726123.1868	556654.2884	547117.0328	577750.9559	875729.6141	659207.0006	791824.4111	896402.6968	856267.642	778113.3605	553910.824	89401.12186	510351.2419	726697.1713	638536.1242	1117053.867	1042063.127	697408.3213	573289.3225
3.54_144.0807m/z	144.080659	3.538083333	pos	6-Methylquinoline	89006	Organoheterocyclic compounds	Quinolines and derivatives	Unclassified			45.3	38	M+H	C10H9N	-0.816013185	23481.56405	24418.63292	23667.50403	23463.07963	22787.30686	22883.18762	22934.693	19597.49826	19775.35705	23054.08269	23486.26953	26286.10759	25301.79556	27125.96771	26595.39975	24399.02042	25756.67878	25651.9698	26150.08312
6.02_213.1124m/z	213.1124123	6.01615	neg	"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid"	96295	Unclassified	Unclassified	Unclassified			45.3	37.5	M-H	C11H18O4	-3.831182718	1597.447135	1570.966188	1775.947646	1249.793936	1526.073298	1457.355874	1156.382889	2694.947885	2163.749946	1265.043263	1487.723757	1657.408213	1265.95055	1457.196283	1257.562232	1308.979192	1335.113629	1215.257022	1444.29658
6.81_353.2333m/z	353.2332997	6.812683333	neg	5-trans PGF2α	36148	Unclassified	Unclassified	Unclassified			45.3	32.4	M-H	C20H34O5	-0.135751275	3281.515459	3892.365755	3381.143058	5759.342249	2959.887271	5263.91553	3107.487863	2814.051078	1705.714285	2848.003557	3505.412384	3637.576789	4345.876206	3448.750454	3869.516178	3235.970438	4364.641728	5667.981319	4932.650067
0.04_189.1271m/z	189.1270833	0.04355	pos	"3-buten-2-one 1-(2,3,6-trimethyl phenyl)"	96264	Benzenoids	Benzene and substituted derivatives	Unclassified			45.2	38.5	M+H	C13H16O	-1.638781225	4079.363953	4391.07038	3670.503007	4233.299634	3998.769787	3973.547054	4288.547781	5053.769004	3876.586917	4927.776951	4435.18537	4413.096455	4134.614259	4310.925134	4509.332566	4336.60356	4016.014278	4785.278187	3728.499871
0.61_204.1342m/z	204.1342471	0.60835	pos	Glycyl-Lysine	85756	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"			45.2	31.6	M+H	C8H17N3O3	-0.102376663	10266.78697	11300.47944	11700.36693	10056.44866	17994.51311	12527.86557	9541.496165	13433.14823	8791.356907	13615.82478	9873.14834	8309.944024	9190.648942	11660.31282	9943.992784	8055.516851	10244.85625	7490.591702	11103.81558
0.00_161.0231m/z	161.0231055	0.0045	neg													2097.362141	1835.656667	1962.483053	1954.60305	1912.271623	1688.128366	1898.035777	1901.513778	1790.632656	1941.250069	1721.776287	2002.696048	1914.783896	2023.043822	1883.808397	1971.126679	1755.956854	1994.828978	2029.438352
0.00_298.0537n	299.0613171	0.003583333	pos													126102.805	145107.4236	130318.5199	132176.413	129237.8511	139142.2003	141177.4675	137777.6622	129853.4898	132605.0631	132014.9168	147093.6561	139126.4852	140332.3572	138294.8895	141078.7906	135738.9499	143903.8374	128913.7252
0.03_196.0958n	179.0925289	0.025633333	pos													853260.8355	780693.156	841071.5495	876694.5004	782595.7269	790060.545	884882.5772	863243.635	934274.2644	855700.261	940191.1477	741081.6226	825574.7388	771186.7064	861476.2656	867939.687	798804.1275	902272.4297	821299.0803
0.03_222.1529m/z	222.1529008	0.02985	neg													1119.089447	999.7924118	1097.864993	1029.055069	939.2827565	934.4693493	920.0168179	1013.439043	950.7951769	930.1109029	1082.18591	1092.103224	1245.547546	1065.844935	1045.930405	1105.421788	1043.190341	866.204909	1194.828708
0.05_150.0005m/z	150.0005381	0.051683333	neg													3988.036023	4260.885866	4302.453688	4270.394229	4407.521097	4244.693387	4353.278849	4485.495816	4335.742849	4520.542509	4408.606919	3906.024907	4375.471318	4760.262389	4470.980999	4521.672642	4405.676912	4315.738224	4206.514033
0.05_191.1067m/z	191.10665	0.051683333	neg													1641.065742	1587.449942	1802.892557	1553.873497	1718.763816	1591.190424	1496.481816	1682.810733	1813.346323	1819.141493	1822.52165	1733.900521	1828.60153	1942.128709	1627.800313	1836.664205	1673.026135	1568.308853	1786.129307
0.05_221.1813m/z	221.1813187	0.051683333	neg													1690.074658	1219.091885	1390.529543	1260.668354	1104.10577	981.9396054	1047.936974	1106.78546	1166.160873	1104.724356	1131.62925	1378.373576	1540.853886	1246.269939	1309.069513	1367.998837	1372.193156	1089.12202	1324.802885
0.07_197.0806m/z	197.0806393	0.0736	neg													1481.177761	1008.963056	1317.875869	1105.316257	1171.675739	954.5167228	1150.741701	1362.03897	1334.053113	1184.312736	1315.78369	1472.52055	1681.117183	1381.213857	1402.525628	1419.32558	1217.189745	1151.060224	1632.160141
0.07_463.8679m/z	463.8678676	0.0736	neg													14891.30608	15740.11544	15192.51289	14982.70367	16587.86294	14115.84236	14761.67772	14735.20823	15179.6247	15507.18446	15391.79457	14361.61374	14860.91294	14950.92936	14629.76077	14725.05106	14224.43933	14741.40568	14339.19554
0.09_149.0820m/z	149.0819724	0.086083333	pos													3642.504148	3479.347413	3880.891565	4521.480437	3702.430921	3367.548147	4058.907657	4945.840642	3978.560871	3762.418883	4059.808797	3297.682326	3180.996829	2930.90797	3649.092155	3873.521811	3759.086409	4798.838721	3307.944382
0.09_174.0995m/z	174.0995432	0.086083333	pos													6153.263541	6359.605446	6176.673486	6459.96163	5913.981606	7072.914334	6355.920437	7154.793994	6363.120871	6380.392576	6833.470629	7068.158593	6654.927007	6818.831123	7390.670183	7705.998666	6673.065714	6990.748702	5498.528372
0.10_140.0579m/z	140.0579176	0.10495	pos													1787.723812	1595.315424	1874.483199	1701.252421	1310.214078	1852.675663	1826.243037	1550.039288	1716.886023	2119.97948	1744.718084	1795.464742	1657.632859	1504.550712	1335.844711	1846.762439	1152.233684	2009.059916	1851.971638
0.12_259.2416m/z	259.2416284	0.123416667	pos													1996.378222	2298.756378	2405.66103	2838.642594	2684.890604	2712.081767	2292.786019	2097.783965	2545.72972	3027.64017	2616.229079	2555.753959	2430.114379	2112.4813	2374.573823	2556.68607	1694.703409	2495.128874	2589.757521
0.14_197.1172m/z	197.1171945	0.137916667	neg													1754.885322	1592.913371	1819.447971	1575.425406	1864.353251	1554.409009	1421.61344	1616.942946	1792.519643	1679.773347	1831.813895	1624.715935	1862.96969	1779.266834	1807.247434	1755.389152	1656.609224	1561.520568	1638.149708
0.14_395.9381m/z	395.9380852	0.137916667	neg													9916.666758	10039.56745	9781.944982	9711.325606	9822.359258	8867.403189	9842.170371	9752.39008	9564.184229	9982.937937	9782.213591	9725.4424	9590.745432	9852.161148	9945.268374	9771.113455	9152.378269	9465.05186	9318.067109
0.16_124.1316m/z	124.1315668	0.158616667	pos													20906.77992	23637.32372	21430.12045	21737.34436	21067.12075	22032.52712	21380.11252	21927.95978	22092.06024	22476.17388	23094.02711	23095.42049	22058.06163	20041.42161	21385.03029	21483.62635	20629.21885	21549.86245	19831.17202
0.16_140.0829n	123.079624	0.158616667	pos													930640.925	627748.562	852533.7583	844600.5193	648922.3943	708175.2519	870619.0012	952315.9126	1013233.318	810256.9819	834082.9407	638421.895	776995.0923	775036.7329	899238.6996	887559.9764	950538.8022	940925.796	858574.454
0.16_149.0820m/z	149.0819793	0.158616667	pos													1642.292759	2333.826797	2518.382676	2546.729652	2457.017601	2637.463649	2501.273921	2375.218768	2487.900555	2346.186785	2784.467419	2317.419628	2078.085107	2120.946832	1972.112399	2211.253078	1463.507123	3129.502394	2221.69933
0.16_427.3777m/z	427.3776769	0.158616667	pos													93802.26039	74943.83252	72694.30125	87465.27645	89399.29915	94009.83747	92120.76659	102861.2604	81437.49763	91347.62398	98457.6712	68001.59765	79961.18435	91317.93793	86186.97545	87875.2773	84539.1673	88220.73641	81685.8653
0.18_100.0591m/z	100.0590627	0.176983333	pos													2444.679131	3219.876309	2749.571228	2745.174813	3169.142413	2889.603365	2311.489665	2267.683906	2634.454862	3207.546686	3099.966658	3181.127413	3246.110301	2289.032008	3026.345696	3032.051287	2466.612937	2761.789564	2354.56628
0.18_137.0958m/z	137.0957814	0.1817	neg													833.2407742	834.7419405	891.1773969	852.5557299	958.8195715	925.3179791	890.3288446	867.2104646	943.787626	1040.073938	911.7429326	887.3390537	840.6776759	1022.177995	1034.226585	870.576989	868.585768	877.7490307	780.0524945
0.18_180.0958m/z	180.0958003	0.176983333	pos													24721.008	23319.54224	23134.47617	25547.67609	22847.64861	23681.03368	25287.27662	26653.02304	27137.81753	25199.17648	27273.21704	22591.66666	23172.15923	21738.78174	26330.63799	25113.49469	21965.84793	28455.66128	23314.22577
0.18_222.1529m/z	222.1528739	0.1817	neg													1335.9069	1364.664919	1239.037807	1165.785856	1567.22479	1433.956689	1264.201764	1380.332606	1580.598763	1592.356827	1672.958539	1314.833957	952.6325329	1309.380055	1473.306706	1492.71677	1154.600401	1236.831719	1054.352447
0.18_255.2678m/z	255.2678355	0.176983333	pos													53515.14121	47072.0297	49565.3757	50569.50705	49753.41957	51238.07891	51280.10047	52177.11859	52934.602	54348.73817	53078.28537	43328.2837	47693.46096	47194.76962	49862.00087	52327.7367	49391.93062	53878.72212	47778.68266
0.18_281.2468m/z	281.2468432	0.176983333	pos													1456.924543	1546.537772	1881.432663	1609.944698	1135.448276	1242.056022	1220.857991	1920.308181	1419.756383	1269.352531	1623.537606	1470.312259	1880.013624	2037.146135	1682.31585	1905.478669	1279.91879	1793.344008	2965.44974
0.18_381.9226m/z	381.9226175	0.1817	neg													13547.79749	13154.6239	13321.87064	12587.6512	13294.93456	12411.18706	12893.49581	12814.12069	12623.06444	13507.29641	13138.60855	12823.09634	12746.79862	13071.4745	13299.03843	13089.39142	12440.14689	12741.81626	12492.48119
0.18_99.0562n	100.0634527	0.176983333	pos													112137.4114	115521.1623	115435.6415	111852.7768	103840.7785	111188.9157	108815.65	110096.0212	111198.9497	113116.7922	117127.2586	122809.8064	121304.0952	112869.5437	121568.7116	125181.9829	121322.208	124920.8997	103091.7067
0.20_125.0838m/z	125.083816	0.195533333	pos													95271.54067	95266.37643	94431.43335	104838.9802	100578.9627	99165.80964	99324.13442	99495.78411	101594.5191	103352.5362	113022.5274	93175.89869	95256.87701	88823.46414	93884.7318	96602.3576	90355.86544	96470.84232	87928.82526
0.23_140.0703m/z	140.0702866	0.229183333	neg													422.6856234	505.1089852	511.4129358	480.0956555	438.9949072	429.954397	513.297786	495.2155211	452.0339963	425.8654861	469.71702	441.5031805	415.5195458	450.8888088	464.3476658	467.6840889	364.7527707	454.1639607	459.1368439
0.25_108.0447m/z	108.0447289	0.252583333	pos													7567.973064	7130.769816	6723.303001	7244.574204	6479.042386	7053.127564	6847.258457	7279.15995	7247.946523	7151.510414	7430.519966	7148.853145	7244.573012	6935.516405	7689.278997	7452.483961	6977.45369	7544.224237	6971.335927
0.25_149.0820m/z	149.0820347	0.252583333	pos													2370.5473	2321.565847	2540.149555	2296.099146	2020.897355	2189.463769	2110.955544	2493.137042	2521.591683	2277.92695	3111.61441	1865.457774	1966.511734	2370.653445	2590.047089	2221.973922	2253.497752	2078.403462	2668.210778
0.25_160.9553m/z	160.9553402	0.24945	neg													1505.45589	1868.595144	1735.477207	1865.957072	2070.817606	1979.74696	1720.946123	1880.830343	1970.536084	1991.653621	2087.629835	1674.72266	1735.162292	1962.229005	1906.28959	1815.353225	1804.279911	1649.06123	1577.582517
0.25_299.9848m/z	299.9848314	0.24945	neg													9529.577958	10504.45369	10045.13052	9801.667286	10395.37711	9390.137629	10039.0214	9550.261434	9648.807524	10915.36079	9717.00865	9816.184606	9053.225393	9421.538084	9895.029049	9667.93273	9123.494866	9597.584191	9536.84032
0.25_379.9256m/z	379.925596	0.24945	neg													17180.75611	18565.11257	17001.07291	17167.20696	19221.14559	16955.07718	18842.88578	18832.10825	19554.78816	17829.36456	18529.46825	17884.81827	17266.03833	17133.74502	18967.08163	17549.42519	17582.56759	19356.57877	16787.02718
0.25_391.0165n	371.9986377	0.24945	neg													33134.86459	31846.21036	31406.44625	30891.24299	32405.79041	29614.6446	31821.97373	32022.6542	30209.65741	33444.6238	30790.26708	32216.3671	31378.05505	32494.10759	32313.0616	31457.85667	29426.93183	31847.04488	30263.68627
0.27_105.0338m/z	105.0338099	0.27345	pos													3090.49047	3336.558292	3313.031685	3667.211508	3432.77149	3446.256663	3554.65405	3886.032412	3505.190673	3410.258436	3415.809337	3283.285234	3252.686783	3342.348161	3485.244125	3428.929606	3243.378382	3721.793397	3268.412849
0.27_154.0979n	199.0965672	0.266316667	neg													13351.37984	10824.58312	11411.337	10701.08781	10867.39494	10111.33971	11081.76916	10804.7331	10778.97106	11624.03073	10684.31575	14778.56337	14849.31493	13786.7305	12498.28072	11543.54275	10792.72862	11349.54078	10937.81326
0.27_249.0318m/z	249.0317968	0.266316667	neg													13376.70985	12579.63085	12894.46928	12236.86321	12685.45138	11282.39333	12579.4928	12382.36394	11894.78139	12798.91015	12318.02767	12193.31064	12804.79755	12580.8997	12973.15198	12808.31819	12080.95374	13178.89648	12244.5793
0.27_287.2213m/z	287.2212532	0.27345	pos													7949.331745	7967.496834	7164.316495	6803.543585	7109.538155	8492.84658	6764.445253	8175.663648	5467.319984	9177.591938	7283.50244	7567.460317	6809.137161	8071.970335	7444.133197	7340.590292	7897.57383	8423.578836	5941.237375
0.27_371.3152m/z	371.3152265	0.27345	pos													9827.136172	9380.368469	7852.000477	10004.80406	8634.227797	10400.73563	9286.017987	11643.96127	8433.485664	10020.82146	9716.427244	7822.754095	8429.524496	9347.307275	8729.317974	9114.742097	9124.866711	9279.654725	8894.244214
0.27_404.0241m/z	404.0240777	0.266316667	neg													12225.1111	10918.06222	11674.93585	11241.65101	11915.38987	10441.46092	10991.04234	10821.39933	10842.07266	11906.95503	10529.34666	11890.98213	11469.94802	11777.18421	11851.61008	11388.53114	11369.37081	10824.72863	11201.69086
0.29_156.1099m/z	156.1099042	0.291416667	pos													10246.38167	11333.3237	9439.031585	10188.37901	9266.878849	9760.022493	9612.793817	9154.48672	9122.82947	10342.14573	10523.18238	10984.2973	11554.94298	10212.32559	10244.96526	10421.42372	8983.999836	10014.98785	9369.954343
0.31_111.9456m/z	111.9456367	0.308633333	neg													3972.965282	2552.046996	2970.888702	2574.381479	2736.589457	2393.047648	2739.406435	2551.183512	2419.583068	2588.575735	2523.46828	3473.92745	3489.229221	3339.174054	3352.270163	2878.296794	2590.211998	3022.133723	2788.573617
0.31_199.1329m/z	199.1329306	0.308633333	neg													5816.857655	5523.239004	5399.890882	5379.373471	5589.886601	5014.353775	5296.955547	5296.953957	5315.503986	5768.562798	5453.117647	5494.254276	5622.314927	5515.267092	5606.10461	5607.60179	5166.755178	5378.40792	5290.806309
0.31_248.1780m/z	248.1779535	0.308633333	neg													25477.85397	28312.30979	27084.52667	26675.70415	27563.73452	25542.79516	27215.38214	26518.31682	26550.23644	28453.23221	27150.82234	25577.62322	24206.4457	24477.26476	26136.80488	26942.31974	25150.09975	27313.4273	25360.70222
0.31_355.0692m/z	355.069193	0.30925	pos													120311.3688	119139.295	114253.3167	121721.1291	113114.0824	120951.4548	118405.4965	118337.4788	112849.2496	115882.9105	124876.0595	115041.2288	123849.9555	125481.6522	122593.2878	121985.2237	119405.48	123402.9423	107958.5191
0.33_129.0536n	110.0357661	0.330533333	neg													1401.360982	1261.576477	1338.420006	1310.782219	1301.938994	1208.589907	1319.639082	1246.286058	1388.458384	1373.921057	1296.709414	1382.906762	1309.426273	1312.394569	1339.986964	1361.606596	1189.832284	1389.987325	1277.464834
0.33_157.0857m/z	157.0857123	0.330533333	neg													16331.94529	15625.96869	15965.67689	15457.70068	15988.72657	14893.8456	16000.32532	15337.21983	15637.2164	16713.21241	15655.0515	16473.21212	16702.88488	16717.66587	16526.16487	16402.8773	15058.09882	16437.44805	15390.65781
0.33_170.0268m/z	170.0268335	0.330533333	neg													3201.6156	2918.39264	2985.639742	2991.514767	3050.265061	2678.974042	3013.4016	2977.407095	2999.159439	3110.855044	3036.066569	3067.543032	3068.964163	3090.589931	3133.127446	2951.818763	2692.614641	3238.068391	2729.423441
0.33_170.1293n	169.122099	0.330533333	neg													10219.08898	12270.85031	11359.69839	11766.09425	12626.34579	10838.01326	12442.48417	12244.28122	12623.09462	14296.16543	12413.06125	9785.28414	9993.070074	10481.92652	10634.68581	10703.44986	10069.88521	11521.52085	10108.05069
0.33_377.0007n	357.9828859	0.330533333	neg													60733.86863	59954.38381	59151.22108	57361.07402	60399.13223	53425.62553	59357.74642	57650.88478	57492.81523	62759.26562	56540.25249	59624.92418	61285.29389	61266.69612	61252.63426	61508.18237	55959.70152	59989.201	56546.18238
0.33_393.9410m/z	393.9409501	0.330533333	neg													13822.39472	13778.73566	13314.51178	13054.18967	13684.32045	12330.91285	13655.78671	13538.74193	13151.09912	13786.10659	13126.70799	13041.83068	13108.28218	13915.75916	13951.07433	14087.9278	12944.7396	13459.45823	12954.02761
0.33_461.8713m/z	461.8712616	0.330533333	neg													17821.05316	18519.74189	18519.53134	17865.228	18535.82917	17646.32641	18239.44488	18354.59168	19077.67934	19237.72806	18810.83618	17390.45484	17770.25048	18552.31567	18479.10032	18350.80481	18061.05278	18132.70463	17604.34491
0.35_109.0643m/z	109.0642825	0.352316667	neg													1539.488063	1531.166001	1558.423365	1623.491602	1660.479575	1429.152138	1598.514517	1558.918757	1684.823046	1781.573918	1598.009789	1516.242714	1652.809675	1668.534076	1706.96155	1617.613762	1420.936741	1593.118404	1453.794218
0.35_144.1135n	143.1063454	0.352316667	neg													107126.5738	105340.6819	98594.84173	96872.7725	103285.9962	96067.73461	103316.3646	102115.1687	103192.5002	110722.8918	102795.7086	107340.0649	125508.7606	123355.7479	118073.9105	105839.9257	95240.15845	102320.3194	94757.64545
0.35_163.0752m/z	163.0751521	0.352316667	neg													5486.863623	4796.244516	5044.509943	4798.971843	4937.628946	4549.404471	4858.138284	4659.483671	4791.663511	5168.876655	4914.357775	5520.71292	5607.523444	5688.73049	5652.829229	5149.651029	4915.12199	5229.181219	4860.503831
0.36_239.1791m/z	239.1790605	0.364	pos													42304.70088	36668.86819	37463.90915	38350.77866	37923.76529	44114.57884	39836.04172	44520.93939	40131.99955	42727.5012	42655.23166	35098.48981	38778.4833	37617.02579	41882.6391	40159.27838	39356.36919	42177.59851	39218.33094
0.37_125.0103m/z	125.0103179	0.374116667	neg													1149.261627	1167.39227	1186.448491	1207.548238	1143.664386	1076.275055	1197.548644	1178.042153	1192.448155	1169.813199	1134.845251	1187.042026	1178.972987	1125.541407	1212.41503	1224.524518	1070.112996	1254.28802	1159.802465
0.37_145.0856m/z	145.0856027	0.374116667	neg													1062.630484	1275.364999	1048.546429	1198.915559	1279.613202	1219.987411	1339.829438	987.9539851	1108.674788	1221.468504	933.3874363	1072.589028	1005.48333	1187.447827	1163.734139	1167.602122	1074.821283	1094.328175	903.214599
0.37_316.2616m/z	316.2616292	0.374116667	neg													7673.115517	8067.912581	8007.70139	7732.43553	8075.06694	7471.421886	7775.975651	7880.508024	7799.910944	8344.223395	7796.421559	7689.415153	8191.395204	7986.292394	8060.742766	7753.21345	7295.997995	7802.285631	7640.656318
0.38_149.0821m/z	149.0821213	0.3825	pos													2839.929267	2466.040938	2841.70585	2551.140362	2652.272192	3228.61141	2752.311308	2894.517693	3085.097166	2939.736469	2741.455647	2572.630601	2668.363201	2114.54793	2729.802659	2745.8029	2666.976684	2718.81457	2794.481634
0.38_297.2784m/z	297.2783888	0.3825	pos													2323.099061	1906.01472	2033.778141	2590.736125	2056.514855	2050.083252	2847.142825	2622.639602	2394.105457	2410.24963	2115.301839	2127.238768	1984.101335	2386.596096	2504.653093	2475.171833	1918.389523	2180.406479	2427.36996
0.38_327.0076m/z	327.0075992	0.3825	pos													30371.57242	25089.64531	26427.15898	26191.2939	26069.60749	26949.38406	27440.21571	28280.24864	26006.87858	26764.4779	29972.72257	25884.52197	25729.53861	26208.71123	25483.52624	25053.78921	23926.12461	25601.36602	24325.81901
0.38_741.1936m/z	741.1935854	0.3825	pos													73647.92337	62505.82252	53615.43507	65993.58962	61175.43548	65913.69727	64453.94938	69748.10127	62421.01627	61963.90686	70643.15101	45795.81498	49079.74318	70306.20595	53298.19009	61599.27556	54616.71113	68426.49557	62434.87215
0.39_109.0102m/z	109.0101695	0.3923	neg													2304.074561	2257.147571	2140.708379	2118.282952	2213.117338	2029.41452	2261.787099	2149.038884	2146.027353	2342.036503	2159.247442	2070.972661	2220.340196	2134.318198	2168.574113	2190.505858	2034.777531	2256.652163	2085.546524
0.40_112.0841m/z	112.0841148	0.400033333	pos													3542.181999	3587.96712	3000.451398	2777.419505	2841.961066	3240.038354	3034.498014	3087.601319	2972.039339	3442.418064	3211.656465	3741.363066	3507.272739	3315.196455	3049.994189	3397.642162	3318.532054	3398.162723	2856.959127
0.41_147.0438m/z	147.0437632	0.413883333	neg													3000.701026	3237.034731	3789.263723	3955.472277	3848.588896	3163.228801	3496.106124	3277.784146	3193.711272	3445.862872	3110.994468	3111.59065	3076.231592	3227.161981	3376.385839	3206.914927	3070.54467	3522.179915	3208.2377
0.41_386.0143m/z	386.0143098	0.413883333	neg													3949.11066	3592.890823	3478.333292	3938.464251	3678.269672	3152.500319	3783.402935	3469.080928	3434.926613	4001.565207	3454.97584	3649.158138	3508.568734	3268.819357	3843.025823	3994.507078	3746.960976	4483.424343	3218.189737
0.42_116.0527m/z	116.0527146	0.418316667	pos													51030.73507	48999.70937	48708.46259	49741.49631	45863.26511	51186.35929	50788.27194	51778.7346	50392.92672	51139.45052	51732.11285	51687.15284	49619.61186	47879.06313	51303.3569	50172.14127	48460.12269	51436.27152	48493.8939
0.44_100.0841m/z	100.0841295	0.439416667	pos													764.7442486	810.7132548	814.8907013	665.6950626	676.4357516	755.2230687	724.2274031	660.9299925	679.457017	896.8709076	726.0860041	1037.22119	699.7661535	713.9566299	877.2447938	965.3946763	803.3216038	821.1307775	760.133712
0.44_114.0262m/z	114.0262269	0.435666667	neg													413.7953817	330.4472308	329.8561285	324.4560539	339.7272684	297.1026316	333.213417	324.6325886	331.6268166	354.5664715	304.0475023	377.4722532	361.6172114	352.3323224	446.5274068	367.1365015	306.1757591	375.5175584	316.6904609
0.44_127.0749m/z	127.0749382	0.435666667	neg													8060.928077	7545.678994	7400.911755	7020.117096	7499.095202	6670.886834	7454.568172	7270.210411	7354.215386	7986.690277	7303.970227	7397.842297	7669.761908	7513.420791	7462.295597	7400.461788	6946.331319	7345.558064	6862.094176
0.44_139.0386m/z	139.0386292	0.435666667	neg													7900.961027	6549.649494	6986.575873	6559.3067	6878.361341	6216.791195	6730.907656	6769.788737	6477.257178	7000.088189	6460.288184	7496.656122	7589.601446	7552.754921	7003.901195	7065.14427	6446.253691	7163.582381	6597.563388
0.44_152.0102m/z	152.0101715	0.435666667	neg													2509.816987	2142.787035	2554.186455	2342.935969	2308.430455	2020.963124	2254.754282	2212.514093	2124.100825	2244.84395	2063.641848	2303.448407	2451.552724	2410.402214	2425.452504	2450.018209	2219.948926	2531.161552	2353.377799
0.44_164.0830m/z	164.0829754	0.435666667	neg													760.8200448	638.3702914	631.1603475	700.3144682	615.3090217	491.1935783	651.5938574	979.6711495	708.9252826	919.0938032	697.6721544	815.7573594	726.4032843	741.9836348	657.6469964	720.0311953	618.9829458	996.6924886	629.6995636
0.44_165.9846m/z	165.9846045	0.435666667	neg													11747.71954	11896.66251	10200.46358	10403.57041	11268.06996	10820.49089	11347.84625	11449.88019	10494.42195	13213.33776	11616.2436	12049.4098	11871.59008	10836.37323	10225.01679	10237.47733	9894.551693	10508.55957	9875.669154
0.44_167.0701m/z	167.0701129	0.439416667	pos													32139.1111	25381.80994	28078.96	28486.30878	26380.46306	28345.36907	30376.28237	30639.21343	31536.52004	30989.25127	31259.50637	26562.94654	28024.45492	25971.39398	27833.32821	29233.78913	27302.58545	30020.34571	25614.82387
0.44_187.0963m/z	187.0962605	0.439416667	pos													6030.408225	6665.12154	6133.619106	6391.059124	6062.810381	6376.038281	6119.545418	5605.030066	6105.596514	6198.903853	6909.931268	5860.442476	5984.783904	5392.870479	5282.645851	6716.237765	6118.940945	5989.980962	6336.106018
0.44_220.1819m/z	220.1819201	0.439416667	pos													215241.5746	209277.5796	188065.9229	204681.3412	194919.9453	214278.6581	216900.9302	227111.5403	218400.7589	227406.8697	222051.603	203245.4942	217452.6147	217097.0269	221861.3434	216325.2602	201032.7309	224347.6531	190986.1189
0.44_226.1566n	209.1533491	0.439416667	pos													95787.33175	90035.33063	90332.44508	95290.55731	88539.74848	95359.19662	92220.78901	95619.01341	92646.46375	97210.41445	97768.91167	94632.46085	92888.57754	90712.86734	98045.57002	95597.02558	88375.4268	99047.85289	86615.3773
0.44_241.2522m/z	241.2522373	0.439416667	pos													55756.60212	47888.13245	51824.46109	53155.82645	48857.60564	53420.86143	53849.09608	55265.26837	51691.7147	55915.92338	56213.19822	47071.24394	47948.1022	50467.37892	50706.9038	53808.33673	49781.16348	57154.21557	52297.72842
0.44_251.1638m/z	251.1638427	0.439416667	pos													65763.97601	59932.69176	57680.89871	61381.07872	57190.28823	64584.83363	63569.96323	62963.34255	59347.63511	62307.21632	63521.7597	57984.37903	61176.54055	63309.56352	64802.30351	62899.94842	56837.69447	64673.82528	56852.9328
0.44_314.2463m/z	314.2463229	0.435666667	neg													2335.10853	2563.793882	2948.847633	2605.818164	2808.164966	2316.54741	2741.536218	2341.749121	2266.674439	2514.233189	2429.074177	2314.512851	2356.015963	2634.761525	2457.724825	2301.305631	2274.529204	2440.618266	2574.519458
0.44_330.0446m/z	330.0446016	0.435666667	neg													27485.68844	24915.17248	23743.65862	23121.67273	24151.5029	22225.04496	23968.2835	24410.90958	23959.80025	25972.31596	24555.4693	24563.25282	28583.43466	26339.24983	25250.1751	23836.18834	22324.15984	24178.01562	22069.28616
0.44_362.9852n	361.9770818	0.435666667	neg													80463.71738	84072.9654	78192.16646	76456.69169	80526.92314	74431.27143	81014.27907	79664.12345	78620.81686	84606.49247	80971.26298	79614.17271	78063.91877	79848.30909	79708.71161	80598.51252	75273.22143	78852.26448	75579.15175
0.44_519.1384m/z	519.1383803	0.439416667	pos													1177896.124	1131486.56	1145634.155	1243542.861	1173233.086	1232385.828	1204734.686	1232278.785	1171229.783	1280808.631	1292839.167	1075204.189	1154247.207	1186024.677	1184493.23	1213664.285	1129845.457	1251954.935	1140321.746
0.44_593.1569m/z	593.1568735	0.439416667	pos													622741.6736	564121.6481	579746.3856	631655.6934	586424.42	645325.9324	623086.1658	624824.4984	594563.2298	679493.7755	689161.9656	548602.0089	592977.0636	613173.0559	583168.9582	595625.0891	574430.0897	628107.7774	573491.6671
0.44_667.1755m/z	667.175484	0.439416667	pos													412367.4314	360322.4664	381563.1005	403374.8894	386175.3082	425517.5246	396463.1648	399310.703	389830.4871	471128.0098	460101.7662	350204.1866	371584.9776	396850.1819	369528.2492	394174.8822	374545.756	396606.5208	378598.6512
0.46_107.0358n	152.0339706	0.457466667	neg													37304.07378	36543.95872	39893.11657	40136.68433	40966.50066	35469.94947	38025.39608	36467.06475	36687.93801	39701.27517	36206.58528	34619.47346	35373.32105	35842.1834	36425.74794	36826.83098	35342.70106	39997.07507	38352.63112
0.46_113.0592m/z	113.0592295	0.457466667	neg													6376.951976	5673.244978	5685.322595	5502.978014	5792.150528	5193.819463	5626.320854	5759.371847	5563.136183	6013.873492	5605.600473	5939.737231	6143.275973	6048.4448	5860.077802	5721.546383	5351.740602	5879.584894	5563.859895
0.46_126.0545m/z	126.0545108	0.457466667	neg													1646.035941	1630.696091	1623.469724	1602.622757	1633.887796	1502.734798	1650.952464	1534.472619	1510.271889	1683.660877	1625.805414	1592.584632	1613.426116	1604.982207	1579.134779	1533.480743	1427.225824	1630.285095	1523.283651
0.46_133.0645m/z	133.0644542	0.457466667	neg													2131.201977	1960.760983	2068.50481	1983.216544	1954.087579	1860.148619	1995.494961	2024.916424	1884.010753	2027.328025	1983.693192	2059.615922	2123.685046	2167.249615	2149.697411	2185.081872	1952.082456	2195.380205	1909.832791
0.46_138.0549m/z	138.0548947	0.460733333	pos													2246.974734	2307.325456	2131.883007	2570.750133	2521.931257	2060.239346	1929.639332	1605.617863	2540.007591	1983.360346	2811.452416	2010.130303	1866.884315	1616.243513	2418.580217	1893.547219	1959.84308	1877.762005	1816.520684
0.46_138.0665n	183.0652637	0.457466667	neg													12223.71373	10257.16572	11449.16567	10879.71833	11247.89123	9860.509853	11063.89178	10543.29787	10429.2361	11182.13078	10257.78756	13006.60168	13455.72696	13494.42703	12799.75256	11884.95703	10943.47259	11803.76163	10971.98848
0.46_141.0907m/z	141.0906874	0.457466667	neg													9748.206998	9177.326058	9024.62738	8470.372979	8948.101325	8340.075754	9014.8923	8964.968874	9019.913377	9623.270932	9070.787549	8924.612003	9415.392089	9422.654543	9246.979714	9128.657997	8494.210861	9077.034271	8590.531958
0.46_142.0615n	123.0436306	0.457466667	neg													22371.0146	22251.25524	23019.09174	22779.9869	23127.81988	21020.0516	22930.78041	21809.54128	21837.72273	23639.11633	21874.39252	23009.84077	23518.04159	22849.5916	22897.50459	22795.44293	21202.86035	23364.7545	21659.69297
0.46_146.0234m/z	146.023361	0.457466667	neg													66102.36637	66800.85211	65238.5977	62334.91032	65757.0746	61523.16312	65248.25694	65810.39009	64448.61317	68888.85914	66697.60665	63766.42175	66694.99595	68239.47674	68105.65724	68805.38428	62179.18471	66947.61032	62769.93208
0.46_148.0152m/z	148.0152118	0.457466667	neg													15729.01069	12995.81062	13253.11772	12873.07427	13029.2376	11660.91354	13017.66147	13116.84484	12275.53386	13180.66272	12384.33922	13559.12954	13717.34423	13257.51133	13841.01032	13948.34509	12865.1533	13565.57014	12682.4628
0.46_149.0594m/z	149.0594304	0.457466667	neg													8086.483315	7488.950922	7913.154333	7624.844603	8126.123633	7313.937833	7926.289558	7705.03608	7611.916037	8100.650346	7582.699768	8364.197159	8778.927224	8408.450859	8057.337438	8272.319474	7661.138383	8007.86277	7709.390488
0.46_149.0958m/z	149.0958093	0.457466667	neg													19290.43749	18622.68957	17978.77134	17604.03814	18386.38547	16822.99109	18376.09473	17848.83099	17769.65236	19638.84345	18101.81928	18835.29618	19977.72335	19485.33665	19673.56268	19287.8417	17651.07655	18869.58293	17204.35542
0.46_155.1064m/z	155.1063957	0.457466667	neg													8391.929648	8326.720485	8092.811693	7779.942381	8146.037782	7621.607115	8233.220314	8199.253248	8156.408551	9175.199583	8071.223123	8111.874125	8587.673199	8239.489603	8364.33769	8246.940719	7608.090085	8099.161058	7510.860974
0.46_160.9553m/z	160.9553295	0.457466667	neg													1083.912115	844.8593464	1029.832584	796.8822443	908.7915783	695.9882391	1118.346556	1111.426816	984.3100148	1152.340758	1024.698911	1061.680972	944.5463556	942.6600785	971.9571904	1118.658532	886.9469284	1149.160487	829.8542602
0.46_161.0595m/z	161.0594527	0.457466667	neg													2761.572671	2913.48298	3084.462445	3104.64847	3141.385086	2824.814271	2934.524299	2845.012013	2871.370278	3055.70119	2772.059205	2764.343483	2820.089716	2903.94623	2894.008256	2922.747841	2730.368781	2955.36953	2877.684333
0.46_163.1115m/z	163.1115438	0.457466667	neg													25926.28918	25536.72643	24471.98696	24204.49412	24955.8652	22855.30582	24399.05926	24570.51212	24016.01413	26452.45023	24217.61742	24662.48509	25177.77483	25537.37405	25661.85987	25221.67791	23520.96089	24986.21222	23326.87857
0.46_166.0497m/z	166.0496869	0.457466667	neg													30465.99469	25947.34821	29961.11881	29600.14007	29888.15263	26102.67125	27259.45092	26252.67941	26257.9048	27710.75216	25758.61461	29187.24944	29910.69014	30959.23136	31496.46679	32257.76078	29692.20632	32342.74357	29759.51153
0.46_167.0701m/z	167.0700847	0.457466667	neg													4971.441466	4821.079402	4783.945923	4444.141371	4570.006304	4308.665715	4855.347808	4314.450612	4257.604173	4862.808149	4196.202246	4947.373865	5162.264075	4908.904186	4793.138872	4618.099202	4296.859832	5030.484101	3979.874232
0.46_171.1378m/z	171.1377918	0.457466667	neg													61667.8004	61623.70078	61380.20044	60873.94421	62954.27557	57392.27698	62400.66442	60188.33548	60366.29348	64790.4741	60007.40162	60259.07061	66475.56213	70192.11248	68103.68577	64884.54514	59609.02442	63413.83239	58893.60003
0.46_174.0996m/z	174.0996013	0.460733333	pos													8223.535686	8916.934768	8180.552817	8217.091839	7588.096003	8774.021316	8589.708425	8342.722992	9030.736823	9191.492445	9324.860115	8646.514707	8934.599262	7668.962389	7977.952205	8544.219116	8041.563581	8216.657097	7654.92406
0.46_177.0909m/z	177.0908803	0.457466667	neg													15724.03188	15492.67351	15243.95927	15736.51107	15759.17479	14307.80644	15827.5023	15079.1653	15183.8658	16239.1113	15384.30482	15639.74684	16005.87627	16233.3787	16063.09068	15940.5609	14936.39981	15743.0637	14485.03741
0.46_179.1065m/z	179.1064843	0.457466667	neg													9049.877026	8711.748025	8607.937896	8056.177773	8479.518243	7693.647465	8614.088893	8437.817407	8361.280121	9055.301341	8371.534003	8324.528041	8572.148057	8695.864633	8629.960709	8617.353685	8187.955182	8724.890158	8205.904502
0.46_185.1171m/z	185.117127	0.457466667	neg													7179.438515	7300.475002	6934.441226	6608.29221	7133.855435	6416.508403	7356.875267	6903.267024	6996.116347	7548.618419	7071.33704	7669.000243	7641.041273	7492.658455	7481.95255	7166.270829	6619.675444	6972.446239	6801.329361
0.46_197.1172m/z	197.1171825	0.457466667	neg													1144.192844	1058.795676	1127.204652	1193.075145	1249.74966	886.968054	1282.060339	1181.06777	1061.706748	1366.441233	1189.763227	1247.556366	1160.99892	1080.463948	1124.141782	1184.17415	1185.458735	1465.713276	997.0655058
0.46_199.1693m/z	199.169323	0.457466667	neg													31206.70638	30011.00217	30439.32437	29370.59566	30876.31557	28368.81655	30219.03731	29723.61524	29731.90765	32263.35865	29611.31642	30308.97964	31411.98594	32378.64627	32751.88372	31826.27917	29023.0737	30828.29428	29169.77495
0.46_207.1017m/z	207.1017443	0.457466667	neg													8750.184283	8414.195212	8891.916742	8581.899636	8834.652228	7854.039153	8295.082438	8426.134066	8330.216551	8838.606126	8143.857272	8618.242846	9394.942733	10594.14262	9379.581092	8995.336495	8330.728275	9029.350286	8333.637725
0.46_212.0743m/z	212.0742667	0.457466667	neg													12017.96001	11263.7861	11326.99525	10937.84775	11264.40209	10531.83981	11408.76976	11245.33851	11029.03846	11337.12493	11275.71563	11194.38318	12154.57455	12584.78769	12114.53441	11950.03159	10819.09391	12093.25124	11300.98415
0.46_218.1670m/z	218.1669731	0.457466667	neg													80352.62223	72851.00037	73091.46888	69733.96924	72213.37544	65064.1849	68227.77415	67055.01748	68279.44903	72779.90659	67937.00111	75403.24299	73652.88287	75229.16043	75678.49095	76933.66494	71482.66335	73991.52145	65688.90483
0.46_241.1946m/z	241.1945825	0.460733333	pos													1975.027912	1815.716355	1715.97258	1557.399265	1465.723641	2514.262328	2191.496829	1853.442614	1589.118274	2305.379168	1926.917978	1438.778352	1623.76722	1620.349738	1733.466089	2035.60763	2155.113238	1929.726796	1968.122978
0.46_251.1478m/z	251.1478179	0.457466667	neg													5535.347719	5803.006171	5587.399514	5708.927683	5883.10499	5483.184012	5712.261249	5624.966	5353.607933	6188.858533	5222.045578	5439.900655	5621.586358	5558.249433	5696.918406	5611.011716	5629.36	5722.704585	5261.855284
0.46_283.2625m/z	283.2625446	0.460733333	pos													6055.922968	6824.735046	6658.029706	6563.013565	6006.570589	7378.293215	6962.918998	5682.254125	6857.913396	6800.965073	5781.375119	5744.612637	6560.330466	5980.326598	6536.945217	7015.223463	6574.221051	6521.404946	6249.545486
0.46_359.9801m/z	359.9800604	0.457466667	neg													63867.74764	64001.00015	62247.41261	60324.45265	64247.01778	57270.51134	63441.33882	62008.17043	60572.3008	64951.69356	61822.79927	63640.56742	63485.68549	63330.04739	63750.97408	62356.74819	59135.63948	61607.27886	59933.29722
0.46_368.0659m/z	368.0659421	0.457466667	neg													48124.14186	47859.79422	47163.06624	46468.06613	47668.10563	43782.95789	46925.1084	45867.1291	45696.83621	49251.05341	46528.23655	47059.47084	48789.30873	48177.16451	49176.89508	48532.33184	45398.79116	47508.8427	44755.19219
0.48_118.0395m/z	118.0395167	0.477816667	neg													899.6979714	823.509139	738.2064564	747.3190602	821.0164847	671.5304707	790.3424	797.094312	738.5843427	895.9770185	774.3160249	884.3488008	764.2906266	763.2498873	842.2825858	853.0266945	812.8132291	1050.189599	753.9735763
0.48_124.0152m/z	124.0151547	0.477816667	neg													5423.36906	4292.987528	4839.654599	4409.813408	4374.861859	4097.914047	4651.370018	4361.489403	4179.229064	4651.559717	4415.650832	4735.985945	6154.460657	5484.424906	5520.177569	4965.347187	4575.23476	4865.502247	4613.97644
0.48_183.1378m/z	183.1378393	0.477816667	neg													4230.183709	3932.696345	3979.352319	3736.525446	3693.984081	3576.554654	3883.555519	3689.343514	3637.736453	3898.43247	3734.297723	3958.025418	3857.155291	4039.812971	3804.306724	3873.925718	3308.11424	3771.442447	3586.496788
0.48_234.9805m/z	234.9804545	0.477816667	neg													30168.83466	26927.40867	25486.28546	24037.15611	24550.52823	22850.10555	26323.85518	25971.93823	25230.51755	28278.85966	26678.4638	32078.79345	30849.03318	26719.09342	26486.8884	24908.12362	23395.07033	24930.30447	23269.75158
0.50_107.0487m/z	107.0486526	0.499683333	neg													7246.071764	5416.812485	5926.230949	6105.284801	6313.797222	5265.379161	6195.456919	6035.72218	5800.131958	5909.397954	5494.657197	7607.594821	7724.448742	8209.775196	7544.202242	6818.649967	5767.769162	6786.349503	5471.435441
0.50_125.0593m/z	125.0592786	0.499683333	neg													1023.609483	851.0179252	846.1959452	552.5214395	717.4371794	549.7807992	756.9707835	491.2694664	603.1778393	747.2089078	570.6946783	842.9502676	1002.218226	727.7108096	777.3741272	820.6168065	659.0454606	672.8259645	787.704932
0.50_125.9943m/z	125.9943217	0.499683333	neg													821.0492095	624.6431568	608.8845076	423.3431912	561.9866721	482.2186694	605.5204753	513.1549885	505.6440758	580.6987491	489.827199	781.7651886	751.3641612	606.1229585	554.7308222	613.1641301	464.1791092	591.4179679	616.2455911
0.50_140.0822n	185.0807522	0.499683333	neg													29226.31425	19156.99673	23761.67238	21191.12113	21025.41428	18560.01313	20135.91031	19202.71295	19174.8362	20167.00733	18877.21698	29418.51436	28993.1267	28793.53503	27428.7835	24872.25017	22293.15279	23830.12219	21523.07156
0.50_150.0547m/z	150.0546873	0.499683333	neg													153.59834	205.2493296	172.9672058	168.383417	209.1469819	147.1681172	177.2339132	150.6995708	205.4782569	205.5635655	172.114643	216.9501489	220.8911499	168.5405413	128.358877	192.7113503	176.4336212	158.1058432	233.0681154
0.50_153.0907m/z	153.0907454	0.499683333	neg													2634.992125	2647.429496	2375.586453	2438.714286	2320.991178	1768.153708	2556.911646	2402.307612	2191.447617	3008.101287	2301.263352	2368.258554	2456.192937	2086.630574	2106.748681	2356.528786	2114.775768	2566.712246	2138.676171
0.50_154.0616n	135.0437375	0.499683333	neg													22405.99283	20283.92992	21541.94635	20895.80514	21074.62056	19050.2087	20700.38087	19921.22532	19687.77125	21368.68834	19516.61572	22154.08935	21964.87858	22488.15037	22333.79627	21720.76142	20311.25745	22002.47368	20401.48327
0.50_157.1008m/z	157.1007571	0.49665	pos													13315.45186	12371.65311	12685.35963	11222.03778	10488.66208	14488.70026	14569.77305	14719.52467	13927.0252	13451.00618	10993.16962	14290.04418	13827.68689	12585.50922	14623.09246	13548.55384	11782.52784	13739.54487	13907.95933
0.50_167.1064m/z	167.1064446	0.499683333	neg													1211.789829	1071.471114	968.5727234	763.0472698	934.161432	704.145294	906.0397312	828.7264341	739.5410744	919.8227229	941.189728	1359.598526	1339.187224	973.0365979	1036.988874	850.2266511	868.0226621	1031.9032	937.0480398
0.50_170.0566n	151.0387147	0.499683333	neg													22169.61787	23773.45402	22294.33363	21035.04494	21627.66939	19620.49222	21187.49822	20669.38362	21443.17464	21711.30615	21249.96482	22153.36257	23732.9243	24133.76204	23741.19118	22040.27339	20725.13867	22066.0661	20482.39367
0.50_170.0929n	169.0857629	0.499683333	neg													26092.10582	25916.20431	25340.93239	24025.15844	24898.72212	23446.92672	25462.41484	25198.91525	25416.85772	26721.76683	24890.02968	27139.54081	28072.95433	27478.57905	27065.33966	26088.16205	23664.87467	25479.18506	23970.69691
0.50_178.1198m/z	178.1198402	0.499683333	neg													4122.9743	3715.719636	3992.662846	3769.12676	3805.215929	3517.532839	3824.124629	3742.768199	3683.447406	4204.579683	3559.957754	4815.995467	5131.668864	5564.804298	5528.735384	4596.742803	3910.498793	4297.733916	4019.95868
0.50_179.0338m/z	179.0337715	0.499683333	neg													4930.18803	4556.187448	4824.095298	4642.951259	4933.034986	4265.974722	4626.167853	4512.801259	4679.069688	4735.985854	4628.139421	4624.932846	4648.23732	4795.108117	4964.131874	4933.070539	4461.095877	4995.402654	4483.749931
0.50_181.0494m/z	181.0493616	0.499683333	neg													4400.955087	4370.613784	4464.955342	4299.46445	4481.536233	4151.557302	4434.547995	4248.529004	4331.685346	4442.815199	4331.024641	4488.812719	4343.429567	4355.290428	4416.334565	4360.335056	4002.396507	4507.411158	4423.596975
0.50_181.0858m/z	181.0858074	0.499683333	neg													4455.160627	4391.538417	4540.519381	4417.882187	4381.920239	3982.010104	4623.296298	3982.550185	3987.481262	4588.445123	3907.112005	4773.760691	4830.046528	4852.95395	4724.359549	4539.639014	4148.112159	4870.94027	3930.133715
0.50_183.0677m/z	183.0677329	0.499683333	neg													6300.537889	5569.501274	5961.668237	5435.797854	5720.258177	5243.789543	5662.445018	5395.55935	5659.577899	5856.32595	5788.941348	6095.876076	6055.065013	6162.700237	6012.488395	6167.632117	5531.700163	5813.442717	5610.930057
0.50_184.1086n	183.1014488	0.499683333	neg													17051.61904	15228.6893	15640.67086	15052.6505	15007.57033	13824.91004	14994.42035	14380.20582	14759.96768	15473.10401	14892.25007	20537.48271	21492.75003	20533.26281	19266.76885	17303.48159	15562.79732	16479.25402	15334.96276
0.50_185.1535m/z	185.1535186	0.499683333	neg													10270.96737	9775.092239	10041.23822	9864.278659	9918.537762	9352.872391	9779.374386	9508.077237	9430.590768	10297.31086	9425.127794	10064.99329	10041.69207	10558.55349	10667.33077	10424.33958	9531.444718	10310.99831	9576.394051
0.50_197.9747m/z	197.9746977	0.499683333	neg													16255.81298	14852.68369	13888.85346	14317.59331	16167.18189	14570.79566	14608.95933	15472.65188	12910.85943	16560.50787	13582.32829	15916.78188	16054.0231	13320.13074	13409.94515	14080.25681	14133.13598	14734.03895	14386.01245
0.50_233.9926m/z	233.9926027	0.499683333	neg													17614.2946	16929.06893	16825.92813	16169.96544	16344.06356	15290.11779	17315.96008	16722.7402	16172.19727	17675.47822	16797.01139	16689.56947	16483.02495	15958.37808	15943.75036	16631.91804	15194.51754	16216.67625	15118.94305
0.50_269.1749n	250.1571047	0.499683333	neg													70525.01168	77562.93346	70863.03003	69335.46616	73646.89544	67949.32742	73675.7589	74233.36751	72867.13888	78261.85723	74711.05937	66906.96653	66336.78345	68645.11592	68589.85123	68608.23133	66369.00254	68069.53339	65417.05415
0.50_283.9898m/z	283.9898258	0.499683333	neg													66534.84721	65685.91697	63104.03481	61269.8424	62682.63319	58473.37565	67101.99912	64354.93786	62581.74201	67305.92281	64926.57253	61681.74562	61876.88383	59869.41165	61461.81952	61236.67781	58772.76312	61830.2394	57954.86624
0.50_304.0767m/z	304.0767008	0.499683333	neg													6919.781748	7691.616148	7243.726317	6796.129247	7372.907222	6587.67929	7113.379973	7338.606696	7238.637306	7700.618548	7019.439262	6947.956349	7319.225075	7021.452544	6976.493199	7416.467191	6825.3258	7331.570659	6733.658709
0.50_404.0633m/z	404.0632546	0.499683333	neg													12249.32702	10885.85141	10235.46871	10011.73231	10259.11365	9318.922382	10330.50702	11040.63542	9906.704549	11901.66542	11054.22815	10437.40156	11777.42558	10852.28536	11024.84369	9745.391006	9860.70056	10331.90463	9916.109264
0.51_105.0338m/z	105.0338048	0.5146	pos													3660.531631	3575.685759	3613.380697	3351.87617	3361.086104	3758.602425	3768.910164	3609.767691	3557.59381	3451.614092	3425.096722	3233.237547	3267.106372	3244.010331	3400.018035	3548.413417	3222.302535	3151.557943	3265.638862
0.51_197.1160m/z	197.1160286	0.5146	pos													33441.78139	28442.59369	29436.80459	31630.29406	26992.04622	30066.02454	32585.79471	33131.56461	31290.01018	32845.92569	33594.89483	30147.87206	29517.2419	30821.38857	32061.56324	32522.50557	31156.02955	33768.16185	28726.05466
0.51_227.2366m/z	227.2365687	0.5146	pos													64763.75609	57018.50956	61044.73847	64259.39308	60570.25384	64540.66731	63818.43474	64591.57747	63591.49602	65294.47801	66037.30536	54673.73411	58416.36865	59670.76356	60050.40625	62436.32429	61929.70958	64899.96281	60470.04599
0.52_101.0592m/z	101.0591882	0.52135	neg													22182.88136	23164.85738	21858.28161	21447.68235	22100.55285	20499.70368	22437.24515	22351.71129	22140.93309	23835.08763	22558.22857	21679.277	22845.09526	23005.09486	22309.42424	21780.57116	20148.56814	21721.53233	20173.98473
0.52_111.0072m/z	111.0072037	0.52135	neg													23816.61681	15361.62685	16232.12215	15621.58471	16060.36423	14666.35697	15873.64545	15303.53351	14980.37422	16412.72825	14979.5548	22395.29964	22204.02836	21779.7887	20821.74923	18868.30974	16402.98897	17502.16377	15697.3775
0.52_111.0436m/z	111.0435591	0.52135	neg													6589.798749	6059.201797	6287.557944	6103.68825	6145.65808	5564.251892	6192.432298	5951.440985	5863.920894	6252.914799	5990.856969	6429.309278	6680.533215	6513.63961	6603.459661	6331.607363	5731.201211	6440.928032	5921.10701
0.52_112.0150m/z	112.0150108	0.52135	neg													1971.819741	1647.806947	1979.829762	1768.639891	1734.68926	1611.594153	1779.97321	1738.883757	1782.66551	1796.078268	1639.535261	1980.312768	1959.334182	2039.351389	2044.803513	1973.080366	1654.727124	1952.190315	1891.982061
0.52_114.0545m/z	114.0544696	0.52135	neg													1995.679629	2397.218327	2283.335987	2316.49068	2328.744596	2144.158637	2380.445153	2288.737743	2284.126695	2519.001886	2447.265491	2037.441161	2098.773724	2074.381469	2181.874043	2177.575731	1932.525056	2342.028605	2110.796437
0.52_115.0749m/z	115.0748909	0.52135	neg													53106.89185	53682.98619	51881.20376	50908.6584	52607.09332	48797.55116	51930.60531	51832.43311	51590.06303	56563.94114	51400.79009	52073.3965	56163.91215	56247.53884	55677.54463	53743.49174	49043.3984	52327.04941	48582.4636
0.52_124.0182m/z	124.01815	0.52135	neg													15328.1402	14449.05829	14430.66887	14177.61871	14773.18718	13009.71242	14229.43964	13938.24694	13581.20025	14829.09731	13829.11089	15969.29493	17741.28381	16659.41349	16420.44987	14779.33343	13435.76055	14813.92663	13798.78867
0.52_128.0458n	109.0279101	0.52135	neg													28231.18857	19267.89823	23154.50976	21552.199	22054.25793	19205.76565	21313.85559	19897.39328	19448.05831	20839.18216	19173.11327	30701.59028	58208.03823	42908.75612	46254.21693	29829.46353	25644.75951	24918.57878	22293.69641
0.52_129.0906m/z	129.0906091	0.52135	neg													20146.37253	19408.51038	19477.9278	18849.64743	19785.91121	18072.64226	19180.85636	19432.36493	19174.00481	20878.65606	19278.58021	19592.47055	20805.47478	21225.65903	20823.74243	19947.6245	18224.90724	19872.28596	18557.64238
0.52_138.0183m/z	138.0182647	0.52135	neg													124590.9754	117010.39	135281.2648	137404.7669	132230.3193	116873.2523	126222.8391	119840.6426	118491.0056	127720.8686	117131.0886	124793.3028	146925.778	147843.118	162320.6383	151182.9579	135883.2375	143069.0445	130052.5237
0.52_145.0856m/z	145.08559	0.52135	neg													668.1423183	595.6472804	586.1679726	464.5397644	490.7535701	404.4432016	556.4311591	474.6442832	496.0066313	535.0712145	508.5751735	706.6875838	617.4030388	532.0052613	560.6243219	629.4762982	484.2338642	607.3585286	502.5884343
0.52_155.0336m/z	155.0336096	0.52135	neg													4311.647464	3612.159968	4114.435284	3941.871094	3802.62321	3653.883904	3975.04752	3714.489453	3693.690483	4032.909238	3751.399886	4265.666888	4122.284985	4390.496928	4217.163632	4154.667024	3784.484532	3996.135528	3820.561718
0.52_155.0700m/z	155.0700181	0.52135	neg													9206.327852	8395.249775	8548.913321	8286.552347	8463.50008	7963.165129	8708.241086	8371.994532	8170.159778	8823.27275	8308.963383	9656.102906	9732.374496	9633.017975	9354.370313	8974.729881	8305.016707	8887.797725	8270.678857
0.52_157.1221m/z	157.1220622	0.52135	neg													81542.51778	79454.33784	78489.56945	77169.28395	79405.55556	73193.86333	78310.63781	76101.63998	76931.38773	82214.53933	77698.23767	78961.27942	83405.97676	87102.15302	85106.81978	82544.61343	74821.58185	80122.07306	74939.09916
0.52_159.1013m/z	159.101343	0.52135	neg													2003.935207	1838.818473	1864.389298	1782.336431	1852.726067	1697.355837	1902.543408	1807.579047	1805.174567	1939.565343	1648.392396	2106.00311	1793.869668	2073.038254	1996.069393	1817.807005	1698.631934	2020.031356	1690.72043
0.52_167.0336m/z	167.0336473	0.52135	neg													9583.150776	9611.920264	9933.895985	10079.42633	10168.0048	9247.281485	9930.073017	9556.683355	9459.008592	9853.557431	9599.049423	10029.99342	10053.93944	9822.893907	10276.63025	10380.43069	9306.609107	10128.61788	9277.491049
0.52_177.0544m/z	177.0544378	0.52135	neg													4022.004549	4608.669614	4672.90175	4670.723771	4986.688341	4421.713704	4923.385927	4528.179093	4444.908648	4888.763496	4474.23668	3951.344234	3841.885945	4012.02649	4269.88597	4445.857226	3657.765141	4855.390984	4101.73047
0.52_195.0653m/z	195.0652654	0.52135	neg													450.7161136	417.0942374	390.6523176	226.6867738	303.4033639	199.3477451	232.3235313	221.3761159	247.1407936	309.9204828	233.5538386	226.0021503	448.8961062	275.0100517	249.2537476	236.6733954	226.7706928	240.3733648	301.4006137
0.52_224.0824m/z	224.0823818	0.52135	neg													2977.147155	3151.065909	2952.303982	3195.264711	3107.321701	2786.687538	3043.670449	2994.610897	3014.081961	3155.575867	2652.828474	3039.80911	2801.510471	2994.418314	2970.786354	2811.291978	2640.960337	3272.503918	2731.142729
0.52_240.1353n	239.1282731	0.52135	neg													31116.61952	30534.1709	30284.1561	27944.89948	28950.44368	27936.52439	30185.90198	30230.78933	28961.64628	31767.33014	29791.71143	29527.41798	31768.72858	37414.4083	33727.90412	31149.2572	28736.73128	30004.6382	28675.51037
0.52_248.1627m/z	248.1627128	0.52135	neg													5674.463447	4999.025346	6330.818301	6446.238434	5940.208891	5278.806196	5529.017837	5989.946186	6077.247205	6357.31622	5358.982651	6506.301586	5376.153114	5927.093453	8356.305453	8543.089701	7683.554237	8021.287611	6999.346299
0.52_297.9877m/z	297.9877372	0.52135	neg													20944.7572	22117.37892	20713.69343	20849.42838	21523.17008	19048.23696	21787.13158	20715.88174	20914.1223	22425.46381	21395.58954	21035.59638	20058.75504	21093.28468	20956.17529	20819.04848	19651.01913	20624.48777	19457.26755
0.52_312.0036m/z	312.0035803	0.52135	neg													52614.72466	56503.60977	53715.10911	53421.44362	55240.77368	51407.33425	55613.80406	54147.02459	54097.67187	58397.8305	54309.98294	53574.5758	53597.92899	54609.9297	54423.40036	53777.65484	50673.32087	53742.34149	51726.05234
0.52_315.0085n	314.0006493	0.52135	neg													40494.6529	44219.44006	41450.85318	41084.58054	42418.98868	38649.21925	42516.90299	41497.14848	41620.60154	44210.90186	42252.65295	41085.51405	40437.98882	41223.87712	41337.20165	41285.75316	38992.49955	41599.29904	38969.13232
0.52_318.0922m/z	318.0922473	0.52135	neg													9113.886625	9853.719544	9043.085012	8774.517527	9382.725104	8769.604113	9253.961948	8926.390209	9425.152889	9696.953016	8740.152314	9147.568918	9017.644978	9045.025619	9074.30179	9011.833617	8455.621598	9494.791784	8841.445152
0.52_329.0243n	328.0161975	0.52135	neg													88372.68685	92311.00982	88596.25425	85053.99162	89472.59873	81999.26486	89702.58052	87907.52373	87596.60711	94599.37426	88747.98072	88626.16351	87844.54789	87577.80528	87635.64511	89157.08425	82037.12541	87287.93582	83218.15072
0.52_332.1080m/z	332.1080272	0.52135	neg													21911.46016	22842.78556	21361.09484	21069.00922	21703.63805	20015.74029	22036.37022	22071.89906	21713.80549	23865.42004	21375.93667	21594.39328	21857.21761	22288.89429	22467.18871	21927.16515	20388.00081	21648.19481	20311.20132
0.52_333.9460m/z	333.9459566	0.52135	neg													17171.68736	18849.86785	18049.12231	17709.58129	18923.58076	17090.50909	18666.97234	18212.9406	18079.1063	19138.96337	18061.7124	17963.42417	17270.03762	17843.88619	17900.07935	17545.56091	16455.1009	18062.49653	16316.10382
0.52_334.1051m/z	334.1051301	0.52135	neg													28470.90961	29548.19375	27574.07556	27412.87889	28143.45076	26138.73012	28087.89489	28878.7568	27660.48255	29792.49057	28747.38446	27909.46315	27000.13113	27608.97558	27813.81968	28531.5313	26145.90295	27937.6906	26406.49913
0.52_340.0346m/z	340.0346435	0.52135	neg													60563.69439	60901.76279	60393.12452	59044.41912	60836.64418	55360.85474	59733.7561	59570.51322	59347.90249	62565.77909	59300.7143	60671.17717	61586.37751	62010.53779	60702.95084	60432.19357	56678.30191	59187.84247	56953.48098
0.52_343.0399n	324.0220476	0.52135	neg													98334.92181	101422.5703	98085.75874	95077.30613	98879.32775	91065.91172	98944.51486	98048.97328	96618.7695	104736.2703	97165.99176	98754.41606	98614.57488	98507.40633	99178.15969	98072.96143	91458.55122	97131.66174	91052.18275
0.52_348.9697n	347.9614511	0.52135	neg													58811.21797	60399.07331	58233.27438	57023.74544	60001.93759	54214.98472	59718.92807	57765.48803	58232.7344	62908.83363	58712.92477	57529.10069	58297.56159	57953.2041	58375.50826	57381.86659	55805.33976	57886.49036	55500.80674
0.52_350.9668n	331.9489137	0.52135	neg													39661.99115	42509.45257	40334.81208	40904.82656	41533.18534	38323.34721	41219.96854	40771.11659	39946.76025	43433.25237	40949.66026	40389.12497	39177.01948	40457.47296	40677.00029	39994.48025	37734.5827	40129.62428	38246.51416
0.52_354.0504m/z	354.050418	0.52135	neg													38379.06786	38182.20878	37752.91475	36067.6842	37966.67489	34160.06849	37460.22479	36584.92464	36401.70136	39536.36218	37428.0639	37896.65279	37674.52286	37956.5295	37273.86993	38270.83633	34660.9784	36751.33237	35306.31054
0.52_357.0557n	338.0378486	0.52135	neg													66864.2343	68258.98859	66757.19887	64394.12281	67668.37586	61251.86955	67339.67795	64663.12565	64918.94104	69889.62477	66087.23282	66649.26165	67012.84873	66965.90427	67102.88131	66815.48712	61615.85986	65435.64217	62049.16258
0.52_364.9823n	345.964418	0.52135	neg													77780.11057	80905.31204	77241.0032	76265.95473	78495.59512	70625.79775	78255.2639	76485.49585	76104.57111	81790.26001	78144.01998	76840.54929	75831.85263	77214.87884	76451.55817	76719.48936	72700.71641	76406.5338	73186.71236
0.52_371.0712n	370.0629785	0.52135	neg													63952.3347	62581.89802	63110.73557	60980.76735	64002.5967	57321.27137	61870.25217	61225.06369	60445.39716	64494.55093	61474.80216	62936.776	63877.58265	63793.39639	64121.7799	63154.57612	59319.11902	62575.84254	59812.53618
0.52_373.9957m/z	373.9957306	0.52135	neg													36264.23451	35317.17168	34829.32452	34606.43257	35300.67631	31648.33699	35332.53588	34747.94256	34526.34259	36900.19487	34983.46484	34597.83607	36321.21251	36356.58913	37050.0913	35104.83253	34017.71048	35074.7855	33166.75657
0.52_382.0817m/z	382.0817331	0.52135	neg													4494.230814	4803.814447	4459.57305	4876.759746	5057.543523	4288.628065	4874.222951	4296.536473	4466.71407	4848.05284	4034.327614	4637.544332	4668.87401	4341.750489	4262.398025	4746.174474	4448.308402	5260.178196	4158.509112
0.52_396.0032m/z	396.0032305	0.52135	neg													80177.44418	52236.46026	56657.09207	52052.13647	54491.15061	49409.83791	52851.81466	51564.59051	51752.97056	54815.61658	52025.69679	77556.32275	79994.41813	75049.58286	67932.5729	59413.27749	50928.98623	55368.47436	56271.59942
0.52_400.0299m/z	400.0299081	0.52135	neg													3313.189437	3229.309107	3519.603383	2744.371664	2567.24318	2335.153473	2906.91016	3510.65838	2598.626225	3276.224373	2781.750191	3638.195513	3506.215003	2955.361233	2929.85346	3206.214552	2956.418949	3841.168308	3244.185724
0.56_100.5104m/z	100.5103973	0.562316667	pos													1562.570998	2605.879975	1727.840974	2248.855213	1411.827975	1563.864074	1725.047212	1332.054989	2075.917751	1544.371526	1836.406005	1455.726119	2503.092431	1914.153396	1367.789714	1188.835662	2217.168109	1739.784342	1348.35296
0.56_105.5202m/z	105.5202275	0.562316667	pos													1073.450661	1787.829359	1251.078433	1730.226324	1328.51629	1261.826577	1395.696338	1323.804432	1298.942569	1798.897384	1356.788259	830.8179618	1477.05347	1213.946482	1071.756574	1330.695104	1569.846537	997.9715517	1039.207109
0.56_111.9687m/z	111.968683	0.562316667	pos													21701.89847	27591.52754	23497.26248	26357.45859	22101.4678	22026.74324	23194.94818	19896.02187	24366.84424	24408.02155	23247.03645	18170.96701	29958.32139	22404.6707	20106.47485	22503.03277	24934.07722	24006.92199	20279.36079
0.56_112.9562m/z	112.9562282	0.562316667	pos													3546.369023	3946.341317	3346.451336	3825.457519	3308.201106	2964.212274	3452.833618	3914.727448	4240.381113	3873.559188	3628.655359	2514.843528	3987.290171	3346.022671	2888.2682	3482.113951	3743.70661	3658.815092	2735.992925
0.56_114.5253m/z	114.5253335	0.562316667	pos													1945.713911	2116.109821	1647.691299	2155.374522	1904.057673	1867.082664	1935.949784	2037.258292	2020.04672	2204.729213	2350.894397	1578.906926	2454.538066	2321.613388	1704.195231	2124.39534	2104.2346	2478.939861	1682.19096
0.56_114.9565m/z	114.956528	0.562316667	pos													1907.63679	2434.568814	2123.447599	2379.895241	1822.322012	1872.112588	2371.556553	2204.024423	2344.383681	2150.811212	2130.824567	1863.239841	2448.462996	2026.790801	1867.515201	1813.882359	2610.360133	2367.857377	1738.908381
0.56_114.9672m/z	114.9671899	0.562316667	pos													5729.718058	6610.77489	5807.260592	5906.363518	5340.635637	5274.804233	5663.921096	5545.254645	5675.74062	6001.105767	6019.045547	5622.671643	6772.040362	6758.847792	5291.792273	5311.482758	5621.228536	6283.610404	5244.401489
0.56_116.9271m/z	116.9270702	0.5628	neg													71131.9509	105978.7044	93200.79175	87171.50175	44781.28104	89245.42585	89914.08274	68157.27518	24408.05356	79981.4184	85914.20235	72674.22991	74080.67558	80052.17935	84614.764	92106.01961	79079.8352	35378.92817	78917.70867
0.56_117.9598m/z	117.9597547	0.562316667	pos													10971.54002	14111.79725	11558.88167	12292.02236	10389.46796	9489.733858	11120.74752	10962.76845	11286.12704	11623.18931	11442.04587	10364.2998	14503.24884	12178.45715	10958.18611	9698.494113	11997.26121	13104.40026	9327.574779
0.56_121.9664m/z	121.966363	0.562316667	pos													1239.975946	1388.329274	1224.739017	1167.836327	843.3800334	1061.289084	1046.064589	1020.528524	963.0858652	1163.069915	686.4932018	1152.832089	1352.584932	1203.866359	841.7400495	1009.555335	1198.261438	1240.955107	846.1247392
0.56_125.9643m/z	125.9643281	0.562316667	pos													5515.622976	6146.720117	5176.91462	5745.050614	5723.378711	4982.347546	5179.683134	5938.872063	5835.155501	5669.053478	5675.358397	3975.201984	6525.483165	5887.09931	4783.872649	4145.224843	5472.076928	5891.379311	4864.35217
0.56_128.9270n	173.9251571	0.5628	neg													8953.566716	15184.72069	13021.45713	12587.16835	4355.900324	12232.76543	12265.72629	10437.53955	1721.421799	11869.21461	12700.0557	8475.149791	10922.3525	12232.72228	11899.82915	12071.65816	11064.16716	3832.522827	11918.4956
0.56_128.9509m/z	128.9509319	0.562316667	pos													63036.85803	72444.43419	62926.13789	73594.88049	66730.76089	64560.8421	62771.36377	64992.25338	67317.50864	66041.0617	69405.41933	59932.19432	74261.93065	64445.89357	58483.63951	57398.68756	63139.93081	71919.92692	56890.15908
0.56_129.9350m/z	129.9350099	0.5628	neg													459.443972	749.9412691	652.5221176	589.5532219	164.355924	501.7090959	453.2562089	519.1432391	106.1852942	629.0226439	577.9432483	348.6216927	561.0735575	586.3393923	496.6220873	569.0818888	488.7659115	174.972764	605.7718433
0.56_130.9672n	113.9639494	0.562316667	pos													339519.0643	356949.4386	316038.4368	355724.6741	315534.9191	300692.8416	310873.8816	320620.1094	338375.937	333660.3522	337557.3501	294697.2231	388689.3516	348407.8496	313020.0415	312008.7636	329610.8798	363036.8243	283590.5544
0.56_132.9676n	115.9642978	0.562316667	pos													25983.87682	33940.80699	27267.31214	31292.91416	24808.8249	24063.19286	26598.94366	27613.35228	27521.91613	27891.75419	27416.61373	24951.23514	33746.38771	26919.51758	24404.36605	22794.57211	30450.03283	30753.09022	22775.04388
0.56_137.9642m/z	137.9642127	0.562316667	pos													2615.096124	2624.792883	2625.139095	2762.660334	2490.447859	2449.0914	2436.97887	3196.115368	2936.789476	2327.545371	2880.742845	2849.16866	2811.711461	2826.936777	2891.731015	2429.281829	2749.158755	3301.387424	2629.260789
0.56_140.9958m/z	140.9957862	0.562316667	pos													5010.054694	6036.778604	4447.507263	5154.015196	3853.371048	4126.144704	4460.050511	5081.48186	4693.220025	4324.13642	4464.481528	4755.337023	5416.341609	5328.951973	4630.932369	4365.168592	4758.834643	5746.454479	3892.785551
0.56_142.9558m/z	142.955761	0.562316667	pos													731.2424693	501.3632256	661.4635558	612.2461006	692.3123499	604.4082251	441.5769415	569.8414277	710.9101691	545.0791001	482.7874862	554.7616612	700.8484754	536.8214797	435.8249405	322.3251223	406.6845335	470.5007224	498.6314657
0.56_142.9619m/z	142.961904	0.562316667	pos													14415.9908	15484.03034	15513.99194	15682.94335	14876.45073	14482.95929	15881.10027	14588.10651	16282.33637	14500.59648	15283.05225	13374.73452	17694.49362	15815.0304	14178.01793	14586.61712	15110.31252	17224.92971	12666.70991
0.56_145.9544m/z	145.9543762	0.562316667	pos													4409.444449	4596.458967	4310.274134	4406.939676	2937.30083	3470.310128	3972.298653	4310.41565	3958.566714	3578.248956	3485.175648	4201.407534	4633.353387	4628.472309	4554.717594	3482.523493	4180.222631	4988.856043	3083.025355
0.56_147.9698n	130.9664772	0.562316667	pos													249368.6114	261185.8878	237162.5042	273043.9399	227771.6822	213417.2114	234252.5207	246221.6251	257329.5253	230231.8707	246861.9839	205196.2926	283094.6262	248709.4366	222954.564	226366.4064	245956.5123	274427.2079	214354.3665
0.56_147.9701m/z	147.9700881	0.562316667	pos													711.7611731	871.2396501	939.2151752	898.7471739	784.1337624	965.3314938	1068.932196	1297.213616	789.6218357	963.358784	935.2731786	1352.106601	1537.771658	1179.147001	946.8932977	1069.079712	912.5896046	1607.782405	576.0763118
0.56_155.9744m/z	155.9744262	0.562316667	pos													11052.51939	12541.35222	11271.52562	13010.66792	10227.62354	10603.61234	11489.0075	11417.7293	12759.92248	11794.84692	11561.64109	10905.52587	13731.2547	13265.42297	10438.83621	10344.88466	11851.60625	13866.43416	10050.6812
0.56_155.9834n	138.9801604	0.562316667	pos													8920.284624	8727.626095	7663.54624	8648.234123	7004.149613	7112.538886	7748.111511	8823.069072	8229.434364	7654.390845	8519.313838	6875.552039	9738.75241	8878.46771	7852.864299	7597.628258	8248.488754	9516.296266	6907.830258
0.56_163.8962m/z	163.8962473	0.5628	neg													2783.036484	5182.502818	4653.134808	4268.259371	1661.779329	4030.17917	4036.543968	3051.931262	1332.333258	4393.728452	4033.742446	2750.457221	4159.007649	4320.497964	4161.667024	4405.71753	3844.905896	1594.958758	4220.541991
0.56_169.9655m/z	169.9654985	0.562316667	pos													4022.469013	4934.741373	4020.699148	5607.198817	3139.970167	3893.041846	3586.833422	3675.685954	4850.763695	4286.16904	4163.949251	3448.834368	5122.174339	4819.714341	3020.19983	3552.661695	3678.481591	5390.626032	3190.601577
0.56_171.9304m/z	171.9303703	0.5628	neg													670.0586502	725.8275254	657.4680596	611.8175569	485.1821467	549.3953435	606.1250589	650.0140387	345.2931031	664.5296551	474.0667273	464.7507367	594.7751855	542.569219	509.3526002	600.652317	447.8043651	503.1134821	504.9376636
0.56_171.9702n	172.9770815	0.562316667	pos													71222.49646	102768.946	81502.43337	93729.01554	93155.04618	93362.94307	76214.21351	76776.94573	83565.70279	87066.17023	90213.88313	87976.30588	92749.6481	80428.26232	72413.97875	70605.91448	77787.72046	89423.63319	70830.68313
0.56_174.9253m/z	174.9253367	0.5628	neg													699.1000935	1251.099471	1008.783522	795.2379131	320.6240311	742.1371263	810.5481826	711.7975207	97.25882649	894.6813499	800.9700983	510.38536	871.1050985	1011.160044	852.8805375	801.8203272	767.5176022	341.6208053	903.0714311
0.56_174.9535m/z	174.9535126	0.562316667	pos													2754.236421	2804.376646	2365.266134	2468.940271	2158.749698	1726.630377	2184.678715	2680.307395	2157.16597	2637.357705	2605.059163	2475.260172	2753.75584	3199.027593	2387.572329	2349.21402	2346.581212	3555.695227	2027.21753
0.56_179.9960n	202.9875422	0.562316667	pos													9224.297606	10671.82708	8121.777195	10450.08112	9523.588167	9290.760862	9105.351403	9205.076627	9347.011735	8621.471607	9565.183343	8713.036553	10627.21356	9065.272788	8598.245392	8342.135583	8434.618931	10689.83301	7114.109896
0.56_180.9683n	163.9649801	0.562316667	pos													3599.177393	4092.65592	3149.580267	3663.207434	2506.807856	2873.71031	2925.549497	3839.213897	2755.869559	3076.683049	3371.27153	3972.607301	4093.39193	3711.195351	3706.925086	2981.63391	3178.165277	3888.556743	2470.604058
0.56_184.4853m/z	184.4853499	0.562316667	pos													1421.731165	1418.868067	1914.403367	1833.235395	1468.539225	1461.863293	1090.469221	1908.833814	1974.928309	1617.030679	1838.605043	1698.876233	2287.164282	1814.438361	1232.420289	1818.063898	1758.614679	1747.072733	1811.763362
0.56_184.9150m/z	184.9149699	0.5628	neg													3790.62877	6110.135349	5150.007874	5895.896194	3777.735154	6006.030575	5630.675374	4521.592702	1382.99779	4889.533697	5573.071341	4471.362167	4287.906952	4717.587095	5273.829936	6250.561995	4854.580873	2816.420385	4633.952505
0.56_185.9151m/z	185.9150965	0.5628	neg													492.4404413	598.1808182	579.7378911	592.6621725	328.1655934	686.6821761	586.1028771	515.831476	92.63910225	484.9865681	578.2991764	419.0469458	560.4432446	401.549207	592.2467087	620.2518095	460.6214517	226.9288512	436.9504459
0.56_186.9809m/z	186.9809105	0.562316667	pos													28528.01996	37341.93583	32220.25849	33819.88838	26679.41979	30190.22203	29169.59631	30169.94195	31492.82835	30015.30445	29938.44007	29401.07228	38106.15488	33691.5493	29271.12814	27175.33048	32135.1105	34373.61161	26103.52528
0.56_187.8878m/z	187.8878012	0.5628	neg													2516.078833	3287.703452	3148.034232	2405.841808	2145.158431	2266.578934	2448.014358	1962.99596	1871.183272	2707.732189	2290.26092	2322.803084	2515.712224	2514.57265	2478.584667	2608.053829	2156.082816	1929.793065	2509.046008
0.56_187.9409m/z	187.9408983	0.5628	neg													2052.745207	3430.063307	3209.460524	3131.494586	1551.600366	3006.561626	2857.409298	2405.020418	774.0840579	2586.576374	2619.087267	2898.40881	3033.175057	2904.569894	3198.099767	3412.580573	2949.677832	1106.837023	2393.01957
0.56_188.9785m/z	188.9785428	0.562316667	pos													12485.89574	11653.19964	11930.84977	11823.61935	9043.331593	9507.67437	13050.66201	14424.83325	10667.15479	8901.649612	13357.40957	10040.88931	11421.7799	16722.34738	9988.70751	11305.07504	11762.8117	11412.29732	9163.386605
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0.56_208.9437m/z	208.9437344	0.562316667	pos													4173.503833	3969.412961	3979.097012	4604.064981	3531.406248	3550.37232	4365.353326	3995.293925	4732.491892	3613.673227	4364.122121	4246.346157	4985.974536	4486.099929	4083.533497	3159.49296	3681.765252	5494.138004	3022.952223
0.56_209.9182m/z	209.9182442	0.5628	neg													428.655524	450.4027129	375.0179749	421.8300865	163.4375934	440.4110307	368.5692758	205.0589982	76.80296779	194.1052331	330.6012044	495.6418736	405.0541968	434.7257702	387.3542451	307.0932618	400.1565119	179.9157009	323.484598
0.56_211.9139m/z	211.9138662	0.5628	neg													281.841438	378.1884099	344.0639506	257.4667481	349.6117885	154.156002	404.6580385	295.9690861	228.7393529	178.6551147	384.9328876	362.3689404	259.0230357	216.4507907	272.4339976	587.9793379	324.9314998	193.1908219	244.993898
0.56_215.8679m/z	215.8678791	0.5628	neg													16156.65854	19405.58188	16862.4325	14014.87914	9515.458398	14748.79372	15036.69025	13732.31732	6189.570729	16457.1951	15359.28833	14026.30719	14203.12413	13076.77565	14545.4254	13140.27834	14158.19208	9334.985752	13951.21719
0.56_217.8601n	216.8528064	0.5628	neg													6456.117185	8042.093627	7420.345962	7299.080873	2779.83538	7498.736593	7783.620551	5464.08342	748.0661092	6394.261482	6964.32759	7518.634172	5708.353956	6116.276456	7220.238461	8421.021252	6244.754886	1969.614186	6310.307996
0.56_217.8649m/z	217.8649384	0.5628	neg													10361.9042	12010.09855	10728.56803	8985.30743	6357.863995	9384.150834	9688.078503	8944.380698	4366.149409	10476.48789	9719.263857	8905.768197	9016.228134	8712.773623	9552.242133	9032.894627	9828.18484	5921.089947	9027.250846
0.56_221.9023m/z	221.902342	0.5628	neg													735.6241437	1224.637136	1360.830221	1281.967594	455.0731674	1331.92581	1083.700622	663.3733563	319.5010533	729.6009233	986.515251	1309.9872	1244.889008	897.7198059	1434.408597	1461.048972	1129.330408	347.3129173	1027.595778
0.56_222.8292m/z	222.8292008	0.5628	neg													317.2246576	424.6573707	544.8632611	474.8043372	0.000297236	371.1994056	259.4789851	87.38341442	0.000297236	379.5584726	295.4245207	387.0825162	373.9887588	399.6029621	403.478877	398.1483122	487.1339498	0.000297236	305.7226902
0.56_223.9884m/z	223.9883906	0.562316667	pos													44393.26085	53399.1983	44982.53189	45939.96389	42351.46227	43541.0974	43607.79072	43972.30951	47486.62487	47111.98558	45551.48878	39653.05792	52596.84183	48758.45641	43706.81587	40236.51749	47084.53365	48500.06469	42172.32836
0.56_226.9372n	227.9443343	0.562316667	pos													11446.41283	12024.14209	14025.95265	12390.21022	9510.371804	11619.59718	13400.61519	12460.02967	12082.76424	13563.73286	14095.75638	8402.230747	10657.86758	11553.02909	10171.68961	8847.014356	15911.82322	12160.13099	10887.48382
0.56_229.9367m/z	229.9367182	0.5628	neg													1359.112072	2444.126429	2396.900702	2703.933536	1146.100677	2459.392102	2282.328177	1788.984961	684.8766496	2146.157607	2491.65386	2246.543769	2082.617689	1999.337509	2563.666336	2350.508617	2232.455267	926.7499644	2291.596774
0.56_230.9084m/z	230.9084256	0.5628	neg													8712.125459	12531.24439	9552.457454	3654.965916	3015.133429	4096.515737	4246.621504	6262.654852	2211.761646	9081.334412	6250.202577	3279.057828	7931.021198	9884.717338	3405.801468	2251.10228	6164.041443	4819.675417	9553.914811
0.56_232.8582m/z	232.8582488	0.5628	neg													1370.795807	1429.191025	1356.215538	668.9610381	67.04739642	766.8950759	849.7478248	400.5420755	0.000297236	926.3299988	703.7035702	1043.165344	1091.150212	1125.663365	704.4734655	621.0329058	844.3140542	100.8944429	1021.282657
0.56_233.8556m/z	233.8555711	0.5628	neg													1932.77334	2161.380242	2230.940199	1830.500774	381.7998352	1702.112685	1831.39474	1290.038031	74.78707373	1843.401145	1590.481662	1844.351285	1714.566569	1511.358461	1544.307539	1948.832426	1587.930495	449.7820334	1578.006314
0.56_236.9385m/z	236.9385499	0.562316667	pos													2907.707337	2918.3518	2699.491353	2932.552453	3224.259869	3663.656498	2336.91247	2664.707523	2901.841632	2451.37229	3123.157892	2778.188928	3297.803422	3509.300674	2245.459781	2670.427121	2274.324512	3440.487748	2754.970727
0.56_240.9105m/z	240.910519	0.5628	neg													3683.482909	4138.549813	3631.577727	3966.855562	4260.811386	4168.80305	4275.73309	3767.796985	3092.711202	3709.383657	4014.099078	4124.402342	3325.190082	3644.021178	4289.629778	4870.538206	3586.673649	3077.145956	2882.472373
0.56_242.4265m/z	242.4265026	0.562316667	pos													1216.566094	1190.678435	1047.738464	1424.101907	1250.405166	1659.489941	1058.440023	1311.469553	908.3717445	696.5742184	1052.960834	934.7776991	2282.103677	922.0592712	1404.998156	1465.789529	672.1869476	2338.473473	1019.673763
0.56_247.9235m/z	247.923456	0.5628	neg													4232.268126	5518.210108	4712.643097	5438.19	5113.699742	5435.135885	5535.002182	4194.504439	3735.14946	4851.563082	5212.957107	4957.336706	4356.638259	4489.014454	5389.409379	6438.337132	5321.394975	4304.830262	3965.183062
0.56_250.9491n	231.9312206	0.5628	neg													39346.36652	69298.2884	66496.32141	61619.35481	32938.35318	64174.06401	59443.88055	45596.80291	24135.75639	52052.70949	58861.79917	57514.57878	55496.08541	57247.49025	67497.25435	65560.68386	57300.07571	28748.16202	51985.72902
0.56_250.9604m/z	250.9604488	0.562316667	pos													14950.01919	19507.28202	22923.13621	19148.42712	14059.25618	19536.81931	21229.28356	18267.22042	17955.06364	21945.95467	19713.25903	13911.84498	13334.12162	16694.34551	15554.58576	13316.05704	27127.90745	15955.99676	18765.03384
0.56_252.9032m/z	252.9032341	0.5628	neg													2136.544212	3532.652608	2377.087471	3267.914306	2457.29686	3441.128561	3434.443691	2587.061025	947.4915892	2739.227203	3298.033059	2423.415008	2313.924544	2300.926513	3254.010749	3548.87201	2784.208031	1807.766818	2187.360726
0.56_258.8870n	241.8837479	0.562316667	pos													13890.15694	16278.75659	15255.14662	19830.8372	12579.11562	12724.34759	15333.59187	17300.44831	17195.2177	15741.97745	15824.83092	8946.67662	17657.23082	13294.59789	12729.35336	13640.22379	14790.91737	18732.51387	10380.83578
0.56_259.8354m/z	259.8354086	0.5628	neg													986.7611909	1027.120081	943.6711928	996.3963676	353.0450481	864.7251014	991.3308411	572.0709252	62.51792951	920.0165461	888.2543327	816.618862	895.4032013	889.3225504	977.9007387	1079.159923	875.6156697	299.9754387	718.4503325
0.56_261.8510m/z	261.8509579	0.5628	neg													2427.705815	2969.514235	2439.452619	3236.163136	2062.783361	3407.034899	3260.942935	2591.957819	504.1924494	2918.328962	2662.525372	2581.388306	2108.008409	2524.989886	3141.002828	2966.937306	2881.302305	1483.478928	2519.167163
0.56_264.8725m/z	264.8725354	0.5628	neg													2100.264133	2338.302069	1839.74791	2566.71104	1988.720103	2402.98662	2062.423678	1890.993949	1861.261482	2205.568897	1888.297034	2429.350123	1809.0846	2156.779819	1973.715729	2241.731401	2143.28887	1877.427091	1641.15231
0.56_264.9143m/z	264.9142773	0.5628	neg													610.8967056	728.199858	881.9138293	866.7386095	689.6652448	805.5235438	1070.483844	682.7166741	452.851178	821.5634283	697.3601368	630.4679346	418.9889976	605.7233294	729.984876	1138.418406	647.8454851	494.5423649	490.2000669
0.56_274.9012m/z	274.9012179	0.562316667	pos													4549.455045	4718.207904	2965.498788	4079.098706	2835.513637	3516.8848	3566.328275	4443.136011	3981.759323	3518.277135	3479.887549	4913.135658	5315.552583	5648.606052	4609.656886	4196.519507	4229.71478	5951.594852	3298.250638
0.56_276.8743n	257.8564788	0.5628	neg													6203.081828	9599.135309	9841.387474	10061.63643	3220.409213	9427.284781	8883.268518	5934.315611	1181.277091	7686.805572	8886.891872	9283.462324	7509.281079	8561.07201	10577.6309	11279.57928	8526.387674	2206.357956	8331.854743
0.56_276.8966m/z	276.8966016	0.562316667	pos													43478.68374	53422.20518	45920.37084	50703.80697	43229.30296	41373.53401	41446.64083	41482.50576	49525.97332	43625.73037	45982.69889	38858.07585	55996.71407	48718.89649	43264.0584	41679.53187	44288.12094	52153.2156	36639.08715
0.56_280.9154m/z	280.9154079	0.562316667	pos													2352.620256	2477.327112	3205.777976	2935.364621	1499.682221	2180.292927	2293.753883	2104.801034	2888.236181	2806.673362	2856.837391	1692.605326	3104.749712	3005.674804	2227.780112	1931.14731	2134.078077	2502.390423	1014.029524
0.56_282.9103m/z	282.9103139	0.562316667	pos													28743.70605	25857.39685	26334.67134	30747.47729	21282.57717	22428.15494	24456.62129	24780.72289	30121.80292	27864.6037	27371.60837	16884.52684	28493.21203	25730.23265	21385.58703	19860.09291	24456.43181	32205.88877	17009.43744
0.56_289.8904m/z	289.890399	0.5628	neg													617.9669907	929.8803935	858.7599969	877.0417131	514.5185322	1058.524477	874.3868656	657.9955855	186.2438241	777.9500269	855.1371018	894.1724285	695.8064463	757.8051143	921.1189862	987.3546479	790.2541569	297.2981778	807.1539424
0.56_289.9225m/z	289.9224635	0.5628	neg													2796.272722	4103.705597	3464.903268	1673.248119	1281.349466	1771.789004	1873.047148	2342.310947	1501.680998	3602.879172	2287.292856	1725.21989	3065.747928	4090.217839	1808.69921	1736.647687	2975.626893	1713.939465	3824.044241
0.56_290.8539m/z	290.8539226	0.5628	neg													8746.162884	11278.57125	8349.541751	9940.835994	4499.495936	10506.21544	9826.255404	7738.335216	1591.05932	7845.063363	9007.638973	9134.798598	8159.600209	8496.963075	9622.307816	9576.40142	7728.161133	3329.273369	7609.234451
0.56_298.8963m/z	298.8962763	0.5628	neg													6030.967843	8526.900383	5801.019092	2638.051639	2400.695099	2523.476353	2945.683256	5095.403065	1346.176831	6214.686171	4302.34658	2546.535439	5589.420045	6312.350004	2586.520786	1696.985855	4068.558809	3880.205209	6754.40268
0.56_299.9191m/z	299.9191377	0.5628	neg													10294.82411	17192.58877	15441.9799	16877.71538	11431.61734	17549.85511	16851.84222	14136.11745	7257.54063	14713.10377	16098.45209	16230.73781	14139.39405	14136.16703	16836.40061	17865.83666	15358.06454	9522.991447	12922.88802
0.56_301.8436m/z	301.8435779	0.5628	neg													833.6568827	1110.724967	1161.450912	1103.542877	446.3071685	845.3633738	815.8893122	737.2460662	73.64738958	972.7044591	450.4305031	603.3690065	882.8864177	633.8624983	834.3955085	686.7760449	873.3135326	280.0975104	721.303859
0.56_305.8607m/z	305.8606924	0.5628	neg													1263.651364	1043.686511	1020.68922	1090.841519	923.4244735	1316.272765	1360.916924	774.0286618	889.7487284	979.1089223	1207.908431	1164.348319	891.7430135	968.4907713	1139.36134	1387.22637	1231.539274	1004.706129	824.8275723
0.56_306.8681m/z	306.8680912	0.5628	neg													1817.676314	1318.819477	1118.923157	1396.676762	958.9879304	1061.61217	1348.158732	946.3451442	879.8697884	1045.550083	1273.399312	1495.200148	1073.045314	1299.854606	945.1268515	1199.705144	1149.553	1169.995877	993.8880919
0.56_313.8484n	358.8413511	0.5628	neg													7222.592358	9102.048581	6587.94711	8270.068578	4644.592103	9261.122589	8539.914273	6589.153006	1890.341141	7125.367681	8066.992902	7134.526841	5793.909568	7201.838335	8361.794115	8749.950166	6935.325117	3490.033923	5568.545457
0.56_317.7859n	316.7785773	0.5628	neg													3102.699725	4073.283068	3982.997657	3938.604132	802.6808402	4501.659735	4483.419882	2347.361333	0.000297236	2742.163237	3613.250524	3413.997001	3127.130144	2443.095418	4218.775952	4472.015018	3247.289393	480.0489703	2955.848248
0.56_317.9170m/z	317.9170048	0.5628	neg													2402.549326	4002.069341	3707.975733	1775.227185	1282.847333	1446.631125	2089.670285	2126.211227	1651.007637	3285.806014	2420.632605	1816.71368	3381.833094	3316.083313	2125.586934	1166.357835	2449.196568	1516.693237	3607.1174
0.56_318.8717m/z	318.8716564	0.5628	neg													928.7754496	810.3003271	912.683197	1413.831308	1291.77156	1271.155519	1387.092162	978.7323795	999.2180505	1190.335981	1231.394503	1410.553177	774.2727803	948.6560798	1228.776826	1463.047584	1016.122984	960.0750499	668.6164567
0.56_329.8386m/z	329.8385748	0.5628	neg													1626.820478	2361.128546	1710.24871	1817.237212	1310.833812	2076.777964	2109.41602	1579.374113	220.8490168	2045.767558	2402.333849	1368.959069	1619.069281	1718.675865	1869.089003	2036.83133	1517.138483	1231.359148	1526.131704
0.56_330.8340m/z	330.8340158	0.5628	neg													4452.944304	4809.043732	4332.167494	817.7776328	1009.392977	1208.045789	945.0239118	2490.586656	461.5130686	3469.398756	1723.970169	1149.305163	3473.558395	3854.150203	780.0687065	781.8063839	2473.758565	1533.125256	3630.238267
0.56_331.9159m/z	331.9158763	0.562316667	pos													5041.303849	5932.973469	5694.363958	6292.536154	4402.061751	4448.09019	4596.55427	6996.724002	5830.151936	4297.329818	4790.028485	5055.842716	6583.373534	6080.797532	4441.913499	4241.096128	4786.068601	6893.583357	4054.69735
0.56_339.9116m/z	339.9116327	0.5628	neg													2963.863442	4155.517899	3937.152628	5053.345675	3704.260686	5325.93582	5076.353755	4146.629446	2051.883693	3771.640904	4401.694732	4207.444318	3287.145872	3536.941419	4982.966902	5850.410276	4479.75682	3029.590515	2802.625672
0.56_348.8125m/z	348.8125028	0.5628	neg													1038.542899	1766.961411	1608.264053	1590.824558	475.1294134	1577.0811	1347.881771	845.3459309	151.8858063	857.4529254	1634.404587	1696.468318	1277.042888	1426.733096	1445.99997	1649.756911	1268.100971	273.3605688	1584.204564
0.56_352.8282m/z	352.828228	0.5628	neg													2651.446099	3433.209463	2839.978795	3522.313319	2338.885492	3052.897809	3414.752949	2264.204044	411.4950851	2741.140022	3395.003153	3612.210852	2013.080304	2584.261932	3307.541409	3628.531233	2750.615791	1226.001844	1936.178763
0.56_376.8511m/z	376.8510705	0.5628	neg													2654.624955	2703.298899	2405.166626	1669.29006	1485.099513	1453.25674	1816.30851	1381.963723	1445.326408	2327.428332	1764.412658	1369.368232	1811.458069	2016.334974	1408.476683	2268.7698	1328.044232	1278.061369	1855.309861
0.56_379.7865m/z	379.7865265	0.5628	neg													803.5261684	1051.166873	915.7552894	703.3077721	328.7463513	858.798988	1014.897764	411.9656911	143.3185858	729.5388118	1112.567323	705.71562	513.5067551	612.0054698	993.7758529	892.8631156	780.5747948	198.6244664	551.2496624
0.56_384.7661m/z	384.7661241	0.5628	neg													1616.206637	2068.689698	1679.306229	2438.234	617.3900151	2207.293679	1680.706073	1081.889729	0.000297236	1577.362473	1687.77392	1834.387583	1209.044552	1540.138918	2245.381194	2096.490375	1598.659381	252.6316567	1398.164411
0.56_392.8460m/z	392.8460192	0.5628	neg													3920.681684	3690.435237	2225.556834	3301.980602	3803.592487	4161.731216	4228.70512	3459.937385	3251.297669	3586.816642	3550.089239	4376.469403	2702.256132	3746.637233	3932.225545	5009.256848	3301.133013	3046.530373	2832.987875
0.56_398.8210m/z	398.8210272	0.5628	neg													3737.78783	4092.204917	2960.322021	988.932011	1046.932992	1024.408771	1315.753114	2672.039638	714.9145463	3207.033539	2054.18148	1301.046156	3042.691879	2982.154861	1265.781635	255.6731202	1725.650821	1848.887965	3121.120051
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0.58_150.9457m/z	150.9457203	0.582133333	neg													1644.651561	2466.575689	2479.883729	1586.451697	1558.315048	1766.655411	2161.854416	1892.145523	1734.775936	2246.662013	1862.55796	1277.221977	1858.08102	2119.596187	1837.31374	1764.951424	1924.37813	1607.693657	2103.803651
0.58_156.8937m/z	156.8936854	0.582133333	neg													1652.638048	2332.20322	2113.361389	1474.252392	1364.198539	1608.64601	1577.146635	1539.176384	1196.826743	1839.712181	1542.075947	1568.417749	1815.897317	1966.161091	1712.762748	1816.800598	1275.79774	1156.619032	1844.222952
0.58_158.8920m/z	158.8920208	0.582133333	neg													1142.773465	1366.066008	1376.317162	1372.798677	1291.794469	1279.848082	1372.377528	1251.296559	1146.425777	1059.692257	1438.414118	1386.613999	1140.290148	1262.125478	1312.153914	1495.296713	1165.92221	1109.235534	1145.249189
0.58_159.8857m/z	159.8856802	0.582133333	neg													774.9911153	707.3607424	530.6136317	462.0911173	418.6405436	439.9451975	485.845568	435.1199874	195.1084675	452.8614594	538.0632723	574.7981508	484.8805191	501.2289469	530.7281123	591.4769663	537.5779601	429.7378161	483.9990932
0.58_159.8927m/z	159.8926595	0.582133333	neg													5303.921859	6014.958606	5864.815811	4882.12953	4858.901538	5271.183979	5654.096867	4825.319608	4172.123923	5027.503739	5094.055743	5204.239611	5045.064349	5451.348806	5396.082241	5929.009143	4973.407846	4374.985684	5013.878253
0.58_159.9727m/z	159.9727155	0.582133333	neg													162.450597	199.4031004	246.7840421	268.4466494	199.05666	196.7147828	196.3281791	119.0531471	126.1016603	158.2781611	155.6791539	198.50812	217.65345	177.0616766	264.1932818	249.1001225	305.5185098	125.3952767	260.0042849
0.58_160.8408m/z	160.8407895	0.582133333	neg													2201.786472	2294.959085	2861.472954	1917.006876	1805.012428	2004.976604	2013.340638	1966.127789	1598.146155	2115.0467	2152.066234	2778.475871	2293.019523	2246.685748	2188.7224	2192.477439	2094.50063	1525.15328	2002.088157
0.58_160.9814m/z	160.9813653	0.582133333	neg													1179.060438	1445.258881	1231.494972	989.4786316	1016.061836	1203.256974	1344.225739	1396.523169	1208.687093	1380.256043	1185.770368	961.1067068	1089.6084	984.7210572	1178.93118	1156.098788	1253.912867	1087.173175	1278.838919
0.58_162.8379m/z	162.8378752	0.582133333	neg													2218.204976	2429.757878	2640.449097	1871.931554	1819.815871	2247.079514	1757.89333	1954.333791	1565.380275	2257.896944	2152.950015	2694.260703	2548.041242	1932.592682	2172.169759	2321.266467	2250.923621	1414.27499	2205.380127
0.58_162.8922m/z	162.892245	0.582133333	neg													3248.088866	4125.228493	3837.452995	3775.708888	3698.982602	3911.068314	4080.274726	3494.495492	3197.559005	3471.624381	3816.244322	3822.304569	3301.579947	3394.594683	3931.877752	4501.399713	3594.43515	3474.164994	3587.920085
0.58_165.9411n	164.9337857	0.582133333	neg													1458.417269	1693.107715	1633.553324	1184.406416	1224.085806	1231.875563	1473.579967	1333.960185	1658.883307	1897.408852	1365.200627	1222.640007	1532.313856	1623.747202	1126.886152	1400.481889	1258.7552	1157.154186	1528.707772
0.58_168.8352m/z	168.8351915	0.582133333	neg													351.4205007	550.6482166	513.2295494	572.0357094	400.4865961	314.5642164	645.4181653	668.7389539	409.4402529	362.8512909	819.7862092	355.0522557	575.1156025	752.9565208	319.3760178	357.7762407	461.3116803	311.9307512	388.0263348
0.58_170.8698m/z	170.8697708	0.582133333	neg													5555.89042	4783.079311	5753.243272	4879.595298	5262.19686	4884.778813	4822.888408	5035.467704	5536.359218	5664.25348	5653.509	6072.107083	5249.523957	5174.195787	5042.122873	5981.153708	4898.327424	4503.758491	5800.934806
0.58_172.8292m/z	172.8291744	0.582133333	neg													361.7415699	469.3495202	434.2415625	538.8429708	345.4038159	248.2399215	610.4218724	464.6355991	280.011671	171.2769298	717.1432286	338.9213	569.6798084	529.7993166	286.3012109	319.482904	280.1193092	211.1959187	347.2806241
0.58_175.9677m/z	175.967664	0.582133333	neg													8260.450983	9404.657879	9046.039609	6994.48396	6888.794585	7519.87239	8619.284157	8540.128739	8039.31903	9448.193961	8723.491009	6480.843255	8713.934003	8410.501393	7338.020221	6846.607283	7738.576282	7265.400447	9349.441018
0.58_179.9352m/z	179.9352302	0.582133333	neg													5327.160378	5696.000623	5363.347466	5757.312613	6221.147818	5772.042986	6159.502785	5249.337496	4685.669841	5492.554004	5888.099838	6020.287855	5173.049078	5230.27439	5763.983857	6592.641016	5537.144705	5093.080937	4886.32587
0.58_184.8888m/z	184.8887885	0.582133333	neg													924.8368767	1059.840079	1001.693151	1009.398084	857.8188094	1005.287453	1128.406201	920.0909634	748.5416115	949.1356662	947.7002528	1067.323678	843.2065368	996.3887837	952.4487758	1222.166388	874.3046439	956.9599844	820.0491175
0.58_186.8871m/z	186.8870722	0.582133333	neg													481.4184631	665.8579755	624.0672531	545.9572174	534.7818656	631.7544661	663.000934	568.54946	473.4313749	543.1722551	547.9968577	680.8079872	559.2307108	530.0239276	717.2599735	592.8901231	581.1000034	571.04833	518.8906522
0.58_186.9287m/z	186.9287142	0.582133333	neg													1523.863133	1936.55868	1201.335526	2170.371193	2039.39318	1677.119436	2425.995139	2182.209751	2256.88763	1009.353988	2063.21597	2102.20512	1307.549917	1333.070925	2574.800533	1789.233747	2233.749163	1909.421936	1090.613618
0.58_187.8601m/z	187.8600684	0.582133333	neg													2869.572977	2727.441305	2977.863647	2467.050308	2015.740321	2299.659405	2281.378276	2145.23684	2244.616636	2600.654242	2309.491256	2999.692542	2767.46358	2518.898593	2723.950754	2529.84831	2561.933949	1752.902362	2581.011895
0.58_187.8726m/z	187.8725961	0.582133333	neg													4033.332032	5346.096047	4941.794708	4340.016705	3487.278435	4578.615432	4399.450819	3871.957049	2218.597033	4425.717399	4559.849329	4994.642623	4177.053073	4070.627648	4756.669612	4375.065923	4527.355929	3022.061606	4168.303445
0.58_189.8571m/z	189.8571499	0.582133333	neg													1843.683661	1698.425325	1911.725281	1453.671021	1545.472005	1514.616383	1291.124978	1441.203163	1369.882825	1855.008891	1685.318613	1953.627412	1659.316886	1633.524861	1601.265055	1568.148715	1554.12988	1193.677977	1549.240099
0.58_189.8697m/z	189.8696802	0.582133333	neg													2603.77817	3337.468747	2961.508643	1296.781387	1162.92015	1567.352875	1588.677719	1181.487394	898.9567476	2937.697939	1285.782979	1396.415377	2855.228924	2620.132183	1446.108577	1417.939672	1400.728955	791.577533	2652.370645
0.58_190.8874m/z	190.8873559	0.582133333	neg													1364.395746	1888.48951	1957.454325	1723.591991	1689.1091	1849.983895	1761.139893	1413.084479	1240.6001	1812.983634	1814.826395	1765.846907	1458.936218	1389.686902	1614.951506	1818.617299	1693.899203	1626.787771	1564.874803
0.58_192.9579m/z	192.9579121	0.582133333	neg													1028.270951	1040.009695	948.4033852	368.6004809	394.1306246	357.0381766	426.470381	429.4448458	325.1331045	960.4265983	481.7850722	351.5991009	892.3651035	958.5244408	425.2400226	292.4878455	522.8489393	265.7218574	993.8109616
0.58_193.9729n	174.9550501	0.582133333	neg													23494.10378	29220.65044	26433.56745	25392.24473	23445.97638	25614.67509	37070.81603	31208.41671	31190.53287	30536.50303	29878.29647	23555.76018	23650.98585	30181.20002	26931.46176	24998.58852	25880.74674	24217.84308	44089.62318
0.58_195.9028m/z	195.9028427	0.582133333	neg													1169.03771	1427.726463	1110.746657	1223.083654	1396.413461	1315.695411	1130.694802	1161.131074	936.3005944	1311.516381	1131.281672	1296.700579	937.8556426	1131.481989	1310.541291	1284.928391	1306.458609	919.4325509	1159.723221
0.58_197.8890m/z	197.8890154	0.582133333	neg													7770.793237	5844.854808	6899.006601	6000.481042	6671.761981	6038.816541	6513.980778	5812.813766	5750.098976	7358.186419	6657.197071	7488.664802	6839.805888	6859.710065	6520.673823	6681.047616	6348.633066	5222.745167	6801.111184
0.58_197.9015m/z	197.901506	0.582133333	neg													14629.367	16420.67272	14870.03818	13142.40709	12656.43408	14043.07536	14707.44732	13836.80815	10430.02783	15737.2588	15050.06572	14900.21974	12569.20671	13366.07912	14160.68014	12950.12169	13812.32455	11912.88306	14797.69645
0.58_199.8860m/z	199.8860394	0.582133333	neg													2580.085995	1710.333273	2339.988983	1914.736389	1872.430527	2062.913373	1934.063554	2022.302512	2035.438817	2307.978542	2272.05309	2453.711788	2042.453418	2178.37435	2155.156333	2117.708983	1844.673894	1646.239123	2079.449783
0.58_199.8986m/z	199.8985763	0.582133333	neg													4792.702948	5126.058974	4828.398486	4123.32733	3942.515261	4461.388634	4600.703567	4320.661566	2958.399933	5072.595199	4547.827467	4702.730157	4195.846895	3905.82455	4441.81004	4338.838043	4276.403573	3633.532502	4614.184617
0.58_205.9148m/z	205.9148479	0.582133333	neg													3371.176238	4359.26062	3589.348568	4177.134721	3711.772381	4096.850654	4497.699673	3110.851273	2855.130034	3736.345554	3722.319504	3767.114992	3476.289946	3245.334555	4133.313843	4624.334383	3480.26769	3007.288717	3298.962894
0.58_207.9304m/z	207.9304091	0.582133333	neg													51500.72203	58197.20511	49083.88122	52611.33029	54088.65886	54492.76682	58391.35178	51259.1194	46916.59873	53992.10576	54183.8375	53651.59605	46623.51778	49023.16346	52717.39393	60785.49117	49111.19102	47442.8373	48721.54487
0.58_218.9338m/z	218.9337552	0.582133333	neg													1288.100744	1985.689037	1604.851737	1698.284335	1563.106372	1669.386173	1836.837042	1680.538826	1539.665934	1797.14418	1802.218064	1304.827478	1612.449044	1474.338094	1758.762208	1442.103187	1632.665046	1588.331604	1627.960749
0.58_225.8968m/z	225.8968295	0.582133333	neg													9763.91933	10511.73386	8827.38287	7483.042334	7845.280632	8883.55435	8772.786407	8769.927749	6828.284042	10397.48445	9662.519599	8226.885421	8190.417133	7657.095979	8586.743413	8137.216216	8688.835336	7274.995282	8528.304063
0.58_227.8939m/z	227.8938551	0.582133333	neg													2987.031984	3575.655188	2841.158822	1801.45389	1761.384295	2033.693499	1912.276354	1765.76386	1374.028588	3098.31178	2012.591538	1925.475915	2409.418552	2597.716918	2030.137553	1613.390272	1894.424836	1077.96362	2841.26274
0.58_228.9696m/z	228.9695836	0.582133333	neg													631.4691901	594.3551145	685.8114953	497.9500679	836.8022535	473.9261791	1023.219987	1002.210495	869.5920856	790.0013262	846.2390817	546.8114369	988.1346732	609.0252908	601.7209113	787.8069181	637.0623278	815.0625542	733.0303836
0.58_240.9099n	285.9085842	0.582133333	neg													3196.283271	3287.542918	2861.77191	3364.687142	3689.370183	3365.122379	3835.753918	3283.868464	3548.314348	3230.860877	3531.354829	3562.846335	2949.319919	2815.187774	3414.575644	3848.059824	3126.803377	3452.063006	2882.282279
0.58_243.9384n	288.93657	0.582133333	neg													14808.135	17625.86307	16000.67393	12465.39328	11194.47596	14017.22316	21574.62196	18475.5069	20006.3441	19593.65572	15735.31782	12411.23892	13860.63346	18760.42287	15299.25825	14529.07599	14818.68146	12952.57455	30695.03035
0.58_243.9559m/z	243.9559395	0.582133333	neg													7957.111656	9984.334866	8448.089407	6854.020188	7676.456435	7930.017133	7658.029325	8704.099507	8589.239095	10035.7755	8673.141781	7291.476516	8168.482998	8898.489177	7958.750182	8147.297922	8269.0597	8511.952896	9226.366664
0.58_244.9636m/z	244.9636219	0.582133333	neg													7695.185955	8598.238294	9178.129079	6180.053778	6864.220613	7672.531367	9805.373971	8778.011173	7653.78699	10224.34806	9116.472307	5922.440619	9158.279369	9093.87535	8038.712139	6413.028118	7534.351552	7353.019138	9420.865894
0.58_246.8862m/z	246.8861571	0.582133333	neg													805.9384064	837.1956211	916.7589172	398.3163706	277.2042987	432.0988378	512.7548319	762.1073077	262.337703	730.7925215	351.4737315	571.5104211	660.6747367	1133.609784	244.2618831	343.7025633	516.646509	396.2761822	1654.788539
0.58_261.9541m/z	261.9541128	0.582133333	neg													1568.191485	1846.241257	1817.271433	1047.884303	1454.482654	1599.937213	1816.61115	1662.490563	1282.142404	1954.212139	1747.329972	1213.889046	1726.458884	1876.180728	1538.520626	1091.0543	1339.676774	1453.172724	2125.054965
0.58_261.9611n	242.9433011	0.582133333	neg													11196.61761	14317.66887	13233.19499	12624.49789	12904.88551	13419.19879	19399.53386	17163.00338	16962.68126	16786.8608	15923.53684	12223.86347	11122.67957	14614.40044	14974.8584	14370.33633	14242.48281	12958.63096	21932.60413
0.58_262.9301m/z	262.9301093	0.582133333	neg													1958.459428	2724.356747	2607.951718	1679.405379	1736.045588	2103.313322	2668.156277	2623.394721	2134.440599	3032.70555	2757.661921	1440.888745	2239.207707	2252.617003	2251.265232	1707.252538	2297.827308	1785.520874	2948.983161
0.58_266.8851m/z	266.8851436	0.582133333	neg													2612.833632	2688.122044	2617.344335	2000.570628	2120.63883	2236.923128	2732.783464	2271.073207	2048.370368	3014.546326	2441.127643	2142.124937	2759.630694	2767.343737	2701.508163	2091.689998	2548.147748	2413.892814	2938.67832
0.58_268.8823m/z	268.882304	0.582133333	neg													1139.146023	663.4790208	916.2283967	718.6825333	848.6178739	900.6857894	860.4793809	879.3700789	1115.440843	994.5271655	963.8850646	898.6364485	1034.152708	921.0855456	881.9906275	797.0183316	801.9727499	827.3479676	1151.72118
0.58_272.9591m/z	272.95909	0.582133333	neg													57730.76846	67170.91101	64136.61982	48259.30353	51337.45223	62880.62186	73152.54408	70668.44206	67156.86163	83375.92992	68285.71421	43746.1662	61173.63988	65549.15263	60848.00352	50755.61711	64663.14557	52844.60066	76783.62501
0.58_275.8801m/z	275.8801383	0.582133333	neg													547.0159643	629.0540013	647.9462738	600.2542256	530.1504531	680.4272331	778.6745439	772.4219376	598.4127347	772.6839362	554.24937	670.0945345	653.8259871	516.3357981	622.2091645	651.1107021	748.5847828	544.8935446	466.8708376
0.58_276.8750m/z	276.8749993	0.582133333	neg													818.1032008	935.796183	711.8659058	1069.237722	843.2362589	484.9556463	1008.048458	689.5926374	791.9439015	733.7255688	1358.223282	815.6352969	1079.687985	1092.535769	691.9818251	569.8281638	865.2201822	831.4735735	777.8430717
0.58_276.9134n	275.9060825	0.582133333	neg													14841.46446	16393.02998	14011.32747	11843.9132	11063.41066	13383.72916	15156.55012	12145.11575	10458.65991	16398.47218	12364.27259	11855.01531	13713.00944	14433.71287	12446.83256	13408.50361	12110.10471	9593.43624	13995.44467
0.58_276.9139m/z	276.9139043	0.582133333	neg													21617.90412	21097.66492	19586.94644	15185.64379	15112.51866	17230.44103	19349.58011	17299.48299	18181.46149	21177.06566	18718.17462	16511.75039	19258.1585	19542.2919	18083.27035	15830.07244	17779.4625	16575.53881	18953.76714
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0.58_293.9043m/z	293.9042553	0.582133333	neg													3084.493067	2813.070285	2796.724434	1804.816672	2423.06895	2005.476074	2233.05879	2464.702655	2596.102361	3113.373178	2391.809561	2405.586486	2531.165165	2794.692166	2069.09491	1880.916777	2318.903058	2184.81478	3208.320619
0.58_294.9533m/z	294.9533392	0.582133333	neg													36821.15953	50630.5773	42291.21175	43597.96678	47132.90638	48672.85245	52669.92266	46191.16185	53807.97648	52251.1736	49434.73972	39061.47871	40949.74929	41345.07699	48726.9804	49271.46991	44969.49178	47570.20056	41091.32863
0.58_297.9007m/z	297.900665	0.582133333	neg													2128.557361	2624.535322	2380.061005	2722.970292	2571.909886	3029.748725	2649.28456	2054.916845	2066.327513	2516.493191	1985.391705	2254.67487	1964.6711	1959.654899	2663.832465	3237.409221	2684.50911	2365.105678	1460.901719
0.58_298.8351m/z	298.8351433	0.582133333	neg													2176.128972	1887.219159	1984.335541	1709.743881	1241.779066	1717.390509	1768.366398	1480.733914	1469.982672	1754.966434	1825.759183	2595.686962	1708.01779	1819.519878	1784.852669	1938.467297	1837.34035	1344.386351	1485.025494
0.58_303.9425n	284.9246918	0.582133333	neg													3432.466148	5024.924032	4606.425695	3824.996593	4218.493929	4463.322988	5303.653763	5791.590715	6214.636857	6417.930025	5649.497638	3485.832332	3638.929899	4627.130308	5299.906052	4224.937269	4028.539656	4637.001292	6118.98524
0.58_304.9088m/z	304.9088348	0.582133333	neg													42448.56454	39774.22639	35652.92499	30689.85501	30881.52941	35703.45228	41646.74067	38510.07164	38543.76595	44960.94487	38670.81317	32355.45193	35682.44974	38448.11841	34322.06437	35103.74564	36500.98815	33269.34809	37668.7225
0.58_306.9392m/z	306.9391564	0.582133333	neg													3238.216154	3280.922062	3238.415225	985.302067	989.1544799	1557.530069	1711.719746	1786.972525	1347.413078	2951.50454	1925.612103	837.3875537	2542.348255	2599.251638	1800.641558	1066.485782	1526.834228	1257.865327	3039.45416
0.58_307.8560m/z	307.8560447	0.582133333	neg													12279.27319	10426.40561	8640.423224	10165.16464	10337.52969	11433.6663	11858.17269	8867.561637	8705.865733	9542.659377	9945.9786	11568.49145	9300.457851	9103.975834	10707.12385	13745.057	9637.379578	9123.30518	8064.62945
0.58_311.8704m/z	311.8703824	0.582133333	neg													1329.113067	1168.457537	1312.242958	612.3531122	976.4229773	786.587125	1182.723128	1144.318833	948.1041659	1327.559336	1176.240351	827.7782854	1055.25345	1139.762036	749.4754413	697.7875245	756.4459534	729.5253855	1242.683364
0.58_311.9436m/z	311.9436252	0.582133333	neg													4381.253551	6367.914114	5116.485708	3984.494591	4421.530919	4904.095568	5053.906058	4020.62679	3826.333098	6244.846473	4623.132373	3953.457905	4871.339203	4867.01553	5090.96834	5051.927498	4563.754118	3518.372173	5191.97422
0.58_312.9519m/z	312.9519191	0.582133333	neg													3129.148796	4300.811131	4419.19822	3441.989121	3517.637402	4701.742659	5248.674673	4180.531624	4002.818418	5224.012261	4715.540033	3066.93252	3807.210886	3490.925369	4794.199552	3223.1529	4142.071309	3900.048417	4309.631271
0.58_315.8996m/z	315.8995653	0.582133333	neg													530.5726219	567.069003	390.8687595	433.243968	350.0159479	508.2949401	675.2756724	726.8938696	471.7582625	397.5973879	556.0539093	548.2135704	754.4983678	664.6296218	413.827547	544.2205255	442.7182331	517.1179125	205.4153717
0.58_321.8991m/z	321.8990849	0.582133333	neg													8365.744375	7328.808287	6633.833863	4902.704915	5164.4129	6257.50439	6764.350711	7335.06769	6868.567976	8383.106062	7164.910797	6189.994215	6644.176751	7462.720478	5882.892058	5758.157186	6756.791555	6379.086282	6609.087774
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0.58_341.9590n	340.9463297	0.582133333	neg													17515.34536	24469.33219	20859.73412	18215.63418	19642.32105	25172.06787	26997.44795	25391.49991	25945.295	29725.96927	25018.79475	15861.62025	20340.97636	20187.02869	22818.54735	20427.51382	22502.09855	19774.5679	23177.00991
0.58_342.1781m/z	342.1780815	0.582133333	neg													1206.167754	1778.881999	1151.713052	977.7830116	1710.15246	1337.736335	935.325324	2497.667577	2258.997185	1132.126969	952.1173415	1602.282748	1015.580923	975.817737	804.1308028	1161.276361	892.4290563	1099.357687	884.0227962
0.58_343.8764n	388.8742079	0.582133333	neg													5222.949478	5742.521292	4561.990781	5212.91682	4380.533304	3871.710894	6322.706951	5008.478413	5319.631711	5894.429076	4996.962071	6403.486386	4847.734839	7123.506846	5552.551583	5816.911124	3991.113367	4275.840013	8363.702095
0.58_343.8937m/z	343.8936995	0.582133333	neg													10285.25469	12232.04096	9557.719768	8839.666027	8708.829215	9418.378458	11131.3854	8182.685162	7075.434132	11060.51447	9429.866592	8904.542403	9603.727858	10634.65759	10912.60103	10607.7063	8720.033088	6614.245307	9349.29526
0.58_344.9017m/z	344.9016606	0.582133333	neg													10279.02943	11276.29079	8972.542297	7892.151529	8949.825927	9249.497451	9162.386954	8605.493994	8966.459831	10744.46985	9441.807231	8199.430797	9006.555287	9279.295105	8817.558469	8442.186181	8398.316885	8770.325637	9362.552293
0.58_344.9353m/z	344.9353403	0.582133333	neg													620.8810027	1076.431186	952.3834947	635.7654939	777.4765503	491.3952655	767.3607591	822.427391	509.6034885	1046.197966	551.2880967	312.8640131	608.9945434	726.6239567	739.8392802	818.2917287	767.8967755	391.1023377	659.1735139
0.58_356.9240m/z	356.924034	0.582133333	neg													7276.86361	9579.873193	8244.254891	7458.75038	7186.65683	8982.372791	12371.30033	12273.82011	10238.62895	11060.54339	9923.283076	8075.127651	7438.599396	10876.15215	9074.424541	8049.841119	7761.945136	8246.384835	17333.96027
0.58_362.9411m/z	362.941055	0.582133333	neg													24305.69186	33489.67243	27856.53531	31091.86263	36272.22931	35596.69276	35823.97024	34242.45588	38817.11248	35473.86846	35493.25761	30009.1123	27299.31546	29376.74371	35057.76445	35744.44945	32390.70245	33823.63404	25915.20407
0.58_373.9092n	372.8960647	0.582133333	neg													20066.78877	22047.45327	16943.92193	17081.17429	17963.97885	19387.69154	21988.51053	21373.48409	21595.77148	23739.10301	21341.53764	17469.78614	18934.16067	19214.1031	19386.24764	18936.14203	19861.9543	18212.70654	17694.39826
0.58_375.8434m/z	375.8434126	0.582133333	neg													7700.859886	7150.921715	6219.808916	4765.690788	5095.61965	5478.655088	5282.333943	4047.885192	4244.543728	7008.0931	4818.110934	5630.176345	6627.64752	6634.537475	5263.682235	6975.800812	4696.866513	3638.24393	5612.448319
0.58_380.9391m/z	380.9390889	0.582133333	neg													2362.599918	3924.338986	3263.936482	2812.22543	3361.107355	4054.10607	3996.743104	3953.400615	4016.16574	4246.486868	3867.16463	3052.087313	3104.632469	3281.531269	3635.403289	2646.896152	3368.936456	3046.411517	3056.784481
0.58_385.9049m/z	385.9048588	0.582133333	neg													1699.209702	2877.180817	2743.168939	1456.942913	1669.735228	1887.251186	1837.230325	2227.789732	1835.303206	2468.924657	1932.964196	1687.658861	2747.665712	2994.546667	1640.756874	1661.538735	2173.117341	1888.44101	2429.315198
0.58_386.8790m/z	386.8790319	0.582133333	neg													565.7815743	677.8672305	810.6084147	699.8336472	672.2198407	726.1112842	840.8775892	1537.370677	717.9795512	1136.85557	763.7741028	667.0257238	950.1837832	1176.375215	838.2332157	1005.548691	793.2613205	658.7702274	907.1893815
0.58_390.8948m/z	390.8947978	0.582133333	neg													977.2338652	1206.625122	950.8252067	824.5945714	894.4484712	1254.421783	1208.842423	1259.588794	770.6387396	1235.446539	1013.296227	781.0121394	1104.298956	762.4165505	924.90887	848.3933196	1005.390856	1196.301538	1335.592728
0.58_398.9045m/z	398.9045082	0.582133333	neg													714.7441801	1031.999414	831.5195313	866.1893491	1181.173048	1185.575377	1377.436008	1438.272056	1543.506783	1985.186699	771.3690138	668.755949	1242.139256	749.6563406	861.8476294	1139.534631	1137.23001	819.4933805	574.6239404
0.58_401.8519m/z	401.851893	0.582133333	neg													976.5437171	1614.584022	1530.520569	1386.27206	1270.448388	1382.224242	1208.168763	1033.92493	1256.978371	1261.294093	1352.913692	1220.556366	618.204448	1017.833499	1083.817103	1403.486677	983.8166837	995.9410707	533.7849182
0.58_403.9240n	402.9167392	0.582133333	neg													3454.376504	5109.184387	4102.068946	3861.581105	3400.278272	4506.174765	7570.983178	6477.816221	6036.259677	5898.750974	4577.162427	3152.325887	4183.509996	4953.060226	5249.845448	3876.812924	4438.227556	4056.517865	8723.772428
0.58_409.8680n	454.866781	0.582133333	neg													3697.780775	3789.224311	4158.799147	3448.261843	2916.719771	3973.982507	4325.311121	4276.906227	3263.67028	5604.536971	2910.48646	3695.220213	3303.451089	6087.128032	4380.688753	4029.218746	2745.977053	2100.943039	6537.511931
0.58_409.9465n	408.9339404	0.582133333	neg													17739.76494	27436.1718	23436.79727	20815.59903	23896.82217	27265.99247	31756.76947	28665.33949	28646.39437	30996.76296	27975.22002	19262.3822	22135.40266	22459.79954	27192.45852	23813.66629	25417.73967	23830.54545	24518.70954
0.58_411.8812m/z	411.8812437	0.582133333	neg													14896.27155	18117.0708	13774.83039	15334.86796	17134.36785	18023.07779	20782.43883	17189.09387	17275.81428	18289.12907	19066.85113	16367.92097	14588.46426	14958.98606	18544.32405	19425.21012	15951.6918	15602.66047	14386.02001
0.58_424.9116m/z	424.9116221	0.582133333	neg													4993.038603	7256.159452	6339.49448	5885.735718	5733.472746	6751.688355	8911.388209	8311.293974	7940.657785	7336.112254	7618.450859	6769.676554	4800.975499	7834.171031	6787.72775	6320.320464	6083.212977	5839.325875	11462.99433
0.58_426.9320m/z	426.9319601	0.582133333	neg													3768.241955	5181.812912	4273.664433	4055.408236	4071.344662	6080.981984	6509.98538	6800.552909	6166.305077	6916.290775	5608.720398	3556.103823	4703.621362	4421.537517	5017.400579	3616.635719	5480.978767	3974.158426	5151.504699
0.58_430.8547m/z	430.8547304	0.582133333	neg													2018.463643	2188.539511	2367.599414	3161.890637	2444.397744	2998.198938	3512.051731	2589.58924	2369.144518	2804.131643	2077.962583	2669.812924	2419.751501	2379.615613	3383.421332	2739.280289	2818.7434	1813.048268	2085.274601
0.58_430.9282m/z	430.9282302	0.582133333	neg													5348.319207	7867.507893	6206.436576	8399.255894	10366.06938	10001.49512	9411.344115	9806.335297	11277.15716	9604.221184	9643.676624	7732.696239	6701.006528	7381.23706	10122.3005	10827.1048	8734.797401	9359.303276	5577.019287
0.58_434.8670m/z	434.8670099	0.582133333	neg													2008.295249	2149.511254	2012.161646	2116.526717	1847.661124	1958.657531	4326.237423	3674.437715	4122.064243	3099.85475	2506.990949	2472.626766	2356.024587	3600.109212	2672.491696	1967.401174	2520.137351	1765.350553	5447.573946
0.58_438.8885m/z	438.8885428	0.582133333	neg													925.4943231	689.9536619	728.5392914	713.4213833	693.429913	935.71714	1014.358201	955.3282936	528.2134262	825.5285164	738.579898	670.1975466	929.1481124	833.6327764	874.4530856	826.9534097	680.9522015	651.4348926	585.9510976
0.58_440.8838m/z	440.8838034	0.582133333	neg													24278.27043	26329.9092	21653.64365	21973.89745	23171.29458	24683.22166	27685.6338	25644.57842	28150.6954	27047.12677	26459.59305	22640.41656	21556.29599	24149.29933	25270.99743	26680.53428	24464.14366	23386.64453	21326.02696
0.58_443.8309m/z	443.8309188	0.582133333	neg													11948.21592	11314.70433	9133.079206	10274.07876	11264.38218	9641.970868	11371.34713	8876.518125	11184.73566	10720.77602	11553.6744	12155.86165	8923.791661	9181.812482	10691.68698	13117.0462	8732.136872	9743.000191	7966.637637
0.58_450.8389m/z	450.8389148	0.582133333	neg													3322.566497	2492.257087	2244.657049	1642.051456	1833.757755	2130.637117	2276.721022	2428.838852	3235.551243	3143.381369	2781.725192	2050.839835	2180.013197	2914.082578	1728.823794	2350.570607	2129.653213	2047.254005	3020.247852
0.58_454.9269m/z	454.9268968	0.582133333	neg													1450.678995	1882.843757	2074.034205	1475.363051	2202.056354	2667.22415	2837.783054	2918.149925	2682.492835	3077.003083	2975.815579	1489.113916	1569.333389	1724.134571	2901.998176	2018.984559	3473.980315	2546.462121	2088.976891
0.58_457.8744m/z	457.8743891	0.582133333	neg													7562.885299	9176.671137	7254.778256	6054.559944	5644.600658	8706.953439	9116.713167	8300.460346	9821.011796	9043.086419	8273.576806	6325.202969	6982.626171	7527.737023	8510.997462	7725.106474	8179.952174	7055.145133	6709.990708
0.58_489.8241m/z	489.8240805	0.582133333	neg													9607.362668	13551.80483	9294.383439	11618.32416	11668.78445	11822.34875	13218.04928	14870.33723	15787.11883	11774.19395	12384.65663	11467.87947	9202.514238	11448.17727	12025.21221	12516.11284	12445.33476	12038.65342	10216.76294
0.58_495.9393n	476.9214571	0.582133333	neg													9647.245554	14963.03902	11661.11701	12843.3145	14401.87964	16061.36964	17438.57912	15721.26895	17509.32715	18146.75784	15590.67338	11605.11821	11539.4552	12109.90445	16725.69418	12536.87333	15724.24344	14322.63354	11584.81154
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0.59_171.0434m/z	171.043414	0.589883333	pos													968.7688067	1728.683109	1380.433748	1583.925209	1240.030599	1780.141467	1989.131992	940.2708037	1701.224861	1743.842182	1748.422934	305.1046282	1644.885306	900.2810255	668.6432971	1336.02667	1596.508832	1254.825869	1600.963881
0.59_176.9719m/z	176.9718991	0.589883333	pos													17322.16787	18649.52486	15696.04814	18043.37511	15778.15302	17477.23299	14041.16737	15997.20723	16462.23466	15855.3077	16257.37399	14961.82573	21300.70511	18675.38271	15273.86116	15530.31344	16701.92902	19853.72434	16062.74468
0.59_180.9017m/z	180.9017254	0.589883333	pos													1960.20489	2300.154307	2106.101058	2617.893637	1580.238589	2169.579754	2057.623802	2572.344773	2332.011738	3064.978547	1248.899293	684.4462688	2239.610833	2370.827199	1365.536387	2601.754529	2246.945596	1841.901749	2298.69929
0.59_182.0543n	183.0614964	0.589883333	pos													7022.027048	7146.267761	6278.547178	5443.914244	5487.369	6855.994471	6858.797185	7516.034691	6471.081487	7782.181268	6881.597745	6413.885284	6809.548483	8066.131836	7008.527638	6216.150144	7463.322614	5746.204231	6851.912624
0.59_182.9025m/z	182.9025242	0.589883333	pos													9740.969699	10683.96791	10228.927	11578.33047	7323.328628	8822.054975	9568.902862	11935.07666	10712.56909	12843.33976	6627.556215	6014.063395	11418.85125	12978.13296	9212.897903	11952.38057	9060.449768	8328.091819	12400.46054
0.59_190.9875m/z	190.9874924	0.589883333	pos													5176.830983	6183.251393	5058.959114	5581.835572	5576.709792	5628.304824	5042.468603	4963.811176	5472.646843	5521.427424	5927.275937	5103.833279	6237.322443	5555.888641	4706.965073	4939.185483	5412.834194	6208.086677	4263.466348
0.59_192.0944m/z	192.0943779	0.589883333	pos													3072.027179	2825.485566	3413.399769	2572.238863	2565.312889	3094.023458	3626.557163	2879.096925	2802.005307	3454.682508	3683.132037	2276.72623	2572.043892	2945.345327	2945.700229	2221.922099	2858.860239	2898.981168	3319.308864
0.59_192.9763m/z	192.9762545	0.589883333	pos													4904.787478	4513.714204	5410.10283	6101.009337	4100.676336	3460.959694	7749.220727	6757.753717	4388.241167	2858.789318	6884.312155	4228.630935	5802.685003	8325.837971	3258.991728	4265.750234	4508.022351	3348.831887	2744.423597
0.59_194.9751m/z	194.9751113	0.589883333	pos													2503.9506	2743.754116	3040.87063	4054.94614	2101.051595	1998.611656	4683.062355	3763.276265	2826.594586	1775.299126	4601.233153	2414.197335	3607.022578	4093.965306	2219.719044	2783.669548	3317.899942	2010.601302	2043.8734
0.59_195.6211m/z	195.6211007	0.589883333	pos													3631.466076	4585.135503	4027.690969	3659.553832	3913.804901	3553.264904	4171.381555	2169.884758	1908.771061	3790.676484	3275.745741	2972.025243	3461.547458	3168.096567	3036.410129	3277.362087	4114.826791	3018.706544	5043.192574
0.59_218.9836m/z	218.9835995	0.589883333	pos													5643.800884	6643.152354	6085.866348	4209.090987	4762.874617	6093.625053	7439.82327	7015.314691	6894.447232	8107.06674	6989.453692	3787.810587	6456.662337	6663.272231	6702.430311	5017.541115	6688.738367	5030.465471	7823.458253
0.59_221.9309m/z	221.9309428	0.589883333	pos													3217.288048	4176.31393	3659.867444	3427.096649	2746.640566	3556.28858	3773.523362	4106.315639	3191.078304	4005.71752	3136.108075	3130.489494	3600.670316	3982.652761	3432.701182	3232.901641	3177.586143	3726.199607	4741.544611
0.59_223.9288m/z	223.928814	0.589883333	pos													7779.097316	8753.879039	7714.292275	8304.621381	5725.351361	7183.755105	6568.841311	10444.03657	8658.08731	9627.164826	4921.974073	5383.062676	9474.51712	9775.689484	7904.847047	8754.370166	7126.269872	9009.145278	8704.508563
0.59_230.8901m/z	230.8900535	0.589883333	pos													1558.67146	2085.277565	1941.970848	2219.551204	1394.65655	1700.030586	2598.866	1849.017359	2251.228063	2091.739144	1847.929317	1090.736299	1461.437804	2382.979173	1010.65977	1680.8155	1673.759263	1416.886094	2772.212549
0.59_231.1396m/z	231.1395761	0.589883333	pos													4670.795202	4783.723102	4811.689657	3916.495883	8522.208752	5105.103735	5498.127861	4151.47502	3085.406102	6837.622543	5336.760611	2970.964089	4207.052082	4990.816305	5552.094376	3779.666399	5542.781192	3760.873405	5463.61134
0.59_232.9230m/z	232.9229741	0.589883333	pos													2989.794832	3942.915584	3874.915729	3088.455005	2927.304255	3488.895634	3707.872426	3723.219344	4212.797787	4486.493219	3401.642673	1667.815519	3380.748622	3825.225522	2908.734265	3409.918786	3891.215893	2896.445628	4149.2712
0.59_239.9665m/z	239.9665473	0.589883333	pos													5489.325124	5843.217571	6358.348602	4759.865883	4298.37016	4602.24843	8335.541528	6684.050497	7726.778407	7921.805858	6299.206846	4341.214619	5345.376843	6443.084217	6211.740568	5451.169478	4600.747429	4678.827653	9709.597647
0.59_241.9996m/z	241.9995754	0.589883333	pos													24480.90238	29340.75079	29113.00864	20898.6002	20439.21468	27829.87512	31448.46324	30729.23345	28918.64343	34844.46372	29292.97153	16840.95967	27969.69708	29016.98923	28948.18537	23591.2186	31017.2316	24447.39042	33613.66919
0.59_244.9468m/z	244.9467548	0.589883333	pos													40834.17733	48879.30193	44841.20791	39187.88716	36399.25303	41808.62351	44064.63043	43276.71216	44912.47258	47585.69894	44917.01233	31692.87174	41996.99617	43692.67472	41790.05383	35218.93416	47442.24942	41813.00691	45360.08454
0.59_248.9272n	287.8887216	0.589883333	pos													29926.38621	34044.82466	31351.30576	30642.18225	27573.59736	25620.78361	30666.28175	31045.12389	32495.26534	32095.93396	29939.6675	26181.18419	35445.08607	31114.33912	30660.81065	28869.58713	27745.42623	33846.25018	30499.56568
0.59_251.1599m/z	251.1598653	0.589883333	pos													2115.505293	2770.635727	2666.525763	2229.421499	2257.172905	1391.402982	3019.276755	4069.681627	8911.271019	2021.94505	3266.137557	3138.397732	2126.683962	2524.44503	2089.035107	2038.384502	2337.571842	1917.710552	3635.35694
0.59_265.0156m/z	265.0155809	0.589883333	pos													26175.77038	25560.80882	24609.61682	18280.94519	17414.69602	24510.23641	28013.93993	28865.82151	26666.85686	32095.32734	25069.6588	18295.17487	23598.45989	28935.47258	33131.84571	23755.47348	27714.3299	23559.56695	30844.94413
0.59_272.9421n	255.9388361	0.589883333	pos													54669.64173	54816.17184	55973.9821	44074.46269	44484.63232	51544.92628	56757.9354	55964.78033	54970.30553	60420.53433	52935.5984	39282.5899	52193.48931	59260.45586	54345.17234	46090.27752	53600.27312	52919.6437	59241.87961
0.59_279.1323m/z	279.1322603	0.589883333	pos													1679.047019	1758.739622	1984.223536	1066.688487	981.1843261	537.3676259	1925.808118	1121.487511	2516.226466	1258.938829	868.1311137	7237.260589	845.0355451	1915.888714	699.3062414	1058.361159	987.3083332	2148.932577	2461.039514
0.59_287.1293m/z	287.12928	0.589883333	pos													1871.80939	1735.359937	2370.536059	1603.624872	1709.729451	1646.348881	1254.140908	3722.77539	2884.27676	1258.471906	1681.066232	8541.712061	2019.200563	2621.87613	1353.024664	1767.13113	2537.760725	1962.106261	2729.947789
0.59_296.9654m/z	296.9654281	0.589883333	pos													27724.94124	33998.61629	30812.33762	24681.63932	24709.5109	29742.46152	32546.41178	29291.85436	29609.5062	33388.96404	29636.396	20172.86949	32899.46129	31427.02963	31618.38037	24464.12461	30990.35333	28991.37576	32070.54347
0.59_304.8915m/z	304.8914902	0.589883333	pos													9855.481232	11271.81202	8994.904086	9591.425886	9813.255421	9269.563086	8052.498013	9041.905048	9657.83686	8980.386945	10110.03822	8389.516277	11014.32996	9350.009697	12640.01739	9915.579347	9216.637855	10474.78986	8880.285837
0.59_312.1734m/z	312.1733978	0.589883333	pos													3181.535187	2063.467078	2853.331146	1657.757067	2702.866556	1394.310938	1218.829714	3585.222294	2884.555058	2099.201691	2006.37472	5333.793029	1638.233855	1734.99247	3220.579197	3292.918429	2400.665658	3293.776992	1598.956239
0.60_102.9473m/z	102.9472783	0.6019	neg													975.4460382	1018.2436	965.077706	770.3629919	651.7258666	746.2868789	859.0969429	594.0020764	534.5887398	894.6336588	734.8389827	722.569494	910.1913778	862.6588322	782.9701579	878.462158	661.7803567	583.6860654	853.8570988
0.60_104.9265m/z	104.9265188	0.6019	neg													528.5851381	514.3544896	472.4984836	379.8014225	361.3481987	340.8565065	395.5450518	351.9674904	317.7441525	487.3125902	376.3313855	352.010648	417.0407193	445.0542402	462.9062258	454.9123388	326.0948371	314.3937194	423.3342205
0.60_112.9977m/z	112.9976782	0.6019	neg													701.1615442	737.2662275	556.4180169	669.8442625	658.8199504	714.3504505	664.2270692	802.3775464	776.6345909	690.3949729	727.8550557	619.7885397	624.5199311	621.9351804	650.9994022	701.8644642	632.7636919	607.1609896	648.0362317
0.60_119.9455m/z	119.9455224	0.6019	neg													468.7337925	788.512008	718.7205055	401.6409683	424.9634065	392.4728532	451.3148157	328.8831007	271.5382524	634.9207483	340.457597	384.6669533	618.1403702	629.4746632	478.3674218	455.8597382	362.9045209	300.7980288	672.1332908
0.60_124.9522n	123.9450102	0.6019	neg													2020.644575	2079.645623	1887.04304	1929.316758	1783.415576	1924.067953	2076.024343	1601.694138	1635.215669	1962.052319	1932.650059	1911.940825	1859.595288	1913.645127	1935.937382	2257.284865	1728.590986	1458.585384	1914.520873
0.60_126.8796m/z	126.8796056	0.6019	neg													1256.326386	942.6572621	1299.63649	995.6030437	1012.283636	1105.774205	905.814319	908.0586406	929.0737601	1236.287531	1089.666017	1109.725004	1172.760331	1245.991802	1006.857159	1223.507264	1014.579146	735.2598573	1373.48988
0.60_136.8708m/z	136.8708466	0.6019	neg													433.0270161	514.0178851	632.1328392	697.8588138	439.376524	267.858874	779.1353498	721.8428502	388.9156445	364.7399152	989.0965661	543.1094517	697.9812894	681.1485962	366.1972361	393.4721989	438.0984665	273.9204043	354.3790462
0.60_136.9085m/z	136.9084989	0.6019	neg													2410.243009	1898.675974	2180.40725	1851.070524	1982.501548	1957.991392	2059.621666	1803.073195	1977.142149	2081.394049	2105.29063	2161.588893	2254.617511	2094.140863	1814.006246	2374.72273	1955.260418	1899.058385	2256.12474
0.60_138.9056m/z	138.9056141	0.6019	neg													791.7685792	587.6444696	667.8284946	411.5564828	458.7985778	474.6746488	514.8373567	503.8473902	548.5206247	625.8187394	520.7555627	540.7149599	613.5179373	693.0377945	381.5289608	607.4380314	456.8388724	420.354674	702.7182012
0.60_144.9421m/z	144.9420702	0.6019	neg													785.2204668	753.2266826	673.9039764	729.2016279	817.6463172	787.6400993	846.364187	730.9114571	671.0807198	696.1787775	739.0624672	794.610312	674.9705777	776.7032451	752.9892497	743.7290772	624.2978681	669.957491	652.977756
0.60_145.9297m/z	145.9296563	0.6019	neg													689.8090239	766.1370933	708.4480506	509.8455848	466.3096701	524.3008758	589.3044605	452.6466363	383.0337013	752.8812573	457.201411	507.3607444	693.2411377	728.8406216	545.1558388	589.1992739	436.9858291	446.2765042	619.7391761
0.60_147.9447n	146.9374089	0.6019	neg													21251.22969	20755.09145	19736.9526	19122.99313	18987.35529	19449.81497	21730.40035	19574.84667	19337.15025	21091.13803	20613.18788	20508.88252	18926.66758	19919.56716	20111.23383	21642.8639	19224.31108	17118.92943	19102.44099
0.60_150.9816m/z	150.9816345	0.6019	neg													3945.352432	3018.201749	3589.496326	2592.74797	2972.417091	1939.166745	3194.441609	4470.539951	5828.516459	3566.507745	3255.210137	3608.297988	3284.786807	3833.186831	3259.952193	4130.476479	2629.638398	3331.423198	3254.179965
0.60_152.9773m/z	152.9773364	0.6019	neg													9345.341377	5314.366716	7415.062498	4709.514632	5539.463927	2752.030434	6239.045261	10161.24498	13761.58759	6175.244903	6876.431396	6865.529074	7439.964923	8011.138872	7025.266619	8170.568808	4429.512457	7224.260954	7610.497414
0.60_163.9276m/z	163.9276197	0.6019	neg													1518.699752	1779.423015	1773.860758	1489.403318	1415.083246	1337.789664	1775.508396	1511.814857	1379.814168	1623.140476	1670.200652	1540.432599	1461.964035	1931.569906	1453.574498	1588.612656	1438.287817	1291.949637	2162.271542
0.60_172.8668m/z	172.8668145	0.6019	neg													3577.47116	3217.88032	3727.305835	2904.925238	3239.111341	3514.665714	3115.654436	3240.174271	3732.649382	3922.519889	3598.621322	3898.270072	3429.493297	3621.238684	3354.52996	3965.244238	3370.251758	3021.608293	3699.211164
0.60_173.1171m/z	173.1171164	0.6019	neg													1398.717255	1333.508871	1171.656764	1281.252816	1183.566891	995.8549745	1308.876105	1208.207502	1067.563959	1497.671065	1017.151404	1257.226718	1223.070437	1216.74841	1078.86735	1281.145627	1071.603209	1396.543778	1120.818837
0.60_179.9106n	224.9083273	0.6019	neg													3509.957604	2435.623369	2904.417314	2218.06692	2082.734255	2416.693723	2285.578582	2423.198535	2170.660101	2720.458017	2567.626916	2923.595731	2770.573157	2712.30614	2397.540157	2777.159405	2445.287793	1888.868899	2620.150815
0.60_180.8986m/z	180.8986429	0.6019	neg													13950.50872	11433.49269	12770.51475	11479.08259	11378.74878	11774.22197	12051.00522	10756.70738	12020.77414	12655.05876	12398.23198	12826.04329	11996.24886	12822.61036	11888.37258	14935.70646	11397.85109	10163.8681	12640.1639
0.60_182.8956m/z	182.8956418	0.6019	neg													4319.550354	3349.054114	4241.327154	3752.32777	3606.823867	3766.478334	3701.335063	3702.252921	3865.657013	3882.993216	4010.254726	4070.351977	3942.315634	4208.931937	3826.024816	4638.098882	3673.039942	3223.797005	4278.231461
0.60_188.8929m/z	188.8928532	0.6019	neg													230.5530509	239.9562587	373.0650215	432.0797746	242.8867009	205.6022083	313.5463589	439.6350958	246.5302865	158.0835856	533.6810632	199.1760367	326.5576467	563.6526942	124.4482789	192.2358704	176.7616171	111.6513411	338.7598526
0.60_194.9889m/z	194.9888726	0.6019	neg													2113.013414	1748.947472	2067.664407	1414.322065	1512.829818	1023.927418	1841.822487	2601.993879	3516.181865	1805.242143	1926.224637	1956.940261	1788.496358	2046.09283	1808.761246	2707.284443	1294.145502	2151.421707	1542.531001
0.60_195.8936m/z	195.893628	0.6019	neg													839.5855404	850.1064537	750.2596943	459.4130178	593.5246822	561.6441293	432.8721645	512.0892205	481.6059729	755.4425315	530.9679568	643.7362563	834.0468651	724.1510248	474.5215595	609.5917445	506.7947676	458.8808251	866.9599532
0.60_197.9946n	178.9767752	0.6019	neg													26917.47086	19964.30981	25738.37944	16722.02673	20448.6496	11992.8259	21171.56473	31575.02669	39485.3898	24613.08687	23273.75199	23935.59787	22435.39684	25629.42426	21143.37567	26425.31404	17231.83569	21776.12502	22805.78735
0.60_206.9719m/z	206.9719408	0.6019	neg													5199.822598	4158.724323	5646.226786	3344.132612	4317.673527	2398.011518	3743.751302	6856.843957	7989.234576	5554.14025	4692.684597	4686.486148	4731.570905	5042.190692	4047.452683	4794.441951	3617.810391	4493.584251	4514.35033
0.60_207.9181m/z	207.918093	0.6019	neg													12024.43447	9470.433319	10700.81092	9345.819119	9452.706689	10484.09423	10441.76569	9407.894854	9738.201114	10312.82411	11042.57053	11613.34443	10568.41669	11267.37135	9558.889258	11723.5349	9907.603346	8353.760393	10817.13018
0.60_209.9454n	190.9275438	0.6019	neg													93923.2314	99434.85123	87866.62303	91672.31861	89784.34996	95456.32986	104244.499	89151.72435	88528.07305	93555.25465	96222.67089	94050.76682	83882.38882	86004.80322	92938.7285	108700.9527	88180.3924	80738.81641	80589.62645
0.60_215.9018n	214.8914464	0.6019	neg													3762.247352	4235.71612	3592.389446	2003.533856	1847.121959	2187.89142	2386.673534	1853.95178	1655.329952	3347.626109	2032.23965	2038.809077	3121.267323	3183.789653	2075.78815	2362.43752	1844.385581	1723.252644	3247.744974
0.60_230.8811m/z	230.8810688	0.6019	neg													454.5208649	624.831639	442.9389054	629.5850692	515.0928621	317.9868234	689.1959498	236.6502397	291.8029063	216.0629483	377.8170424	696.3449208	415.2701334	342.1240158	533.0708082	791.8572004	398.11273	452.287975	202.3788679
0.60_248.8869m/z	248.8868969	0.6019	neg													2775.702624	2705.153224	2955.710846	3286.305121	2982.025544	3128.799168	3198.075555	2547.428044	2484.381942	2980.621182	3309.816042	3340.286421	2863.168961	2602.865558	2900.704453	3991.052055	3046.528583	2241.656353	2490.133472
0.60_271.8995m/z	271.899509	0.6019	neg													149.0253968	219.3579199	165.2769279	251.6304356	141.8877967	163.1248262	142.5283849	269.1016614	312.0566365	209.4503074	140.4558312	171.4971209	286.9229107	258.04614	202.8695431	291.0592215	254.5212916	281.3021832	211.5560909
0.60_272.8989m/z	272.8988901	0.6019	neg													2309.690453	2728.277498	2606.635558	3507.609524	2896.686542	3066.313929	3293.352652	4665.870417	4088.049862	3386.071488	2729.505577	2362.762932	2943.193449	3195.193958	2927.9504	3705.665966	2880.964592	4327.911841	2979.194827
0.60_308.8641m/z	308.8640604	0.6019	neg													14293.27991	11196.2579	10952.43121	10714.52283	9986.539963	11294.27105	12455.44645	10030.32723	8192.177112	10222.21693	11547.08775	13360.73071	9766.736272	10416.45986	11418.7372	13431.86027	10680.66783	8593.865151	9100.524122
0.60_310.9310m/z	310.9309551	0.6019	neg													5060.264444	5548.598359	5918.797384	6018.585818	5395.251794	5815.99931	7295.296246	6469.745608	5557.391725	6775.525197	6529.872732	6087.803223	4796.530635	6625.363237	5998.827108	6274.441489	5262.045601	4469.991506	9515.367941
0.60_320.8863m/z	320.8863486	0.6019	neg													6608.003234	6317.083986	5897.622161	6527.381472	5557.853092	6755.420147	7895.278478	7264.255306	6584.921032	6988.213379	6958.138319	6570.774624	5658.961924	6964.757347	6269.092598	6960.187348	5504.790868	4891.993519	10301.90337
0.60_336.8588m/z	336.8588279	0.6019	neg													8289.71048	6799.274113	5788.30891	6722.716816	6161.449901	7181.624405	7553.194361	6889.028776	6674.854861	6554.474649	6380.616798	7553.415396	5808.098575	6366.627124	6430.095992	8125.044777	6579.895003	5735.652886	5100.353694
0.60_341.8903m/z	341.8903425	0.6019	neg													509.9808555	643.1786207	695.7026261	277.8339301	1156.61056	937.8283974	941.2054178	651.5364957	588.866514	790.8359358	484.0896503	1015.42294	319.4192996	807.8323109	1009.93022	575.6950651	882.0142206	1083.550425	682.6648265
0.60_378.9175m/z	378.917462	0.6019	neg													3389.071921	4154.021488	4096.353889	4058.483591	3902.854779	3459.630572	5557.99777	4809.819523	4341.367353	5043.975145	5516.833456	3897.888613	3530.107819	4240.908879	4288.521004	4828.83029	3250.779137	3097.440814	5256.919743
0.60_395.0533m/z	395.053324	0.6019	neg													4303.452085	3956.480115	2915.04776	3880.428789	4197.112164	4399.579223	5505.792799	3108.689225	3744.007314	3492.109553	3723.723605	2166.916142	3612.233006	3740.884692	4442.141834	4392.490256	2998.366105	5008.471978	4047.542515
0.60_420.8411m/z	420.8410681	0.6019	neg													6430.929978	5867.56701	4402.154851	4311.697205	5630.243514	5488.000091	6574.616124	7255.623431	9333.38356	5520.714887	5885.982573	5535.089019	5430.074303	5348.096941	5668.132601	6269.391813	5656.264527	6896.28657	3659.634488
0.60_427.1831m/z	427.183111	0.6019	neg													4295.158081	4976.399047	4337.513107	3919.631244	5032.386941	4553.842311	4237.102045	5355.731681	5160.151344	4107.924676	3183.562193	8493.55441	4056.817726	4274.842498	3712.514583	4420.919174	4114.073213	4869.731583	4512.503261
0.60_427.8583m/z	427.8582745	0.6019	neg													706.4877496	1048.610309	698.7948216	1035.273132	975.172318	772.4037557	1327.695438	882.3532195	938.2632226	1045.255068	1014.103788	973.8355849	983.8700454	1096.346585	1132.148845	1105.6411	740.80504	722.2493057	1819.54394
0.60_472.8337m/z	472.8336553	0.6019	neg													7643.232168	6404.996082	5477.03803	7885.852869	7881.610403	7352.6811	7778.633085	7372.090946	6488.600312	6554.656311	7292.2845	8787.500733	5604.057493	6361.622679	7628.500785	9327.743361	6263.656735	6665.391756	5053.89109
0.60_625.1864m/z	625.186417	0.6019	neg													10901.85043	11344.3478	9415.370121	13467.53834	13656.6374	11060.92582	10143.62271	17585.47277	16757.92952	8216.845423	8713.461269	21192.14436	10070.3685	8811.981116	8713.638368	9614.367024	9248.454111	11041.50622	9340.30332
0.60_814.3584m/z	814.3583971	0.6019	neg													1948.865047	2804.593095	2798.940315	4930.429225	3764.755519	4024.569159	3564.409531	2510.00991	2341.589458	2167.336169	2536.649106	2467.624675	824.5615834	2155.721469	3052.436675	2901.479451	3024.322538	3799.885863	2912.667405
0.61_109.5790m/z	109.5789637	0.60835	pos													11136.33197	10775.55315	11431.11506	16494.25679	18016.1235	13693.30643	14335.30146	14569.53226	6738.984498	10985.96521	11998.14168	8700.239856	6724.780227	8183.69489	9936.909088	9830.165753	10327.27184	12292.16295	8385.663209
0.61_115.5789m/z	115.5788662	0.60835	pos													326.4065707	351.5495701	211.6630097	107.6300245	828.6634814	332.9704198	179.9601953	0.000297236	89.79291248	701.9906469	73.00975153	0.000297236	308.1961078	223.6059308	0.000297236	0.000297236	231.4916819	102.7552786	124.8784214
0.61_118.9428m/z	118.9428199	0.60835	pos													7090.16632	7690.598188	6314.37582	6484.407013	6367.247908	6979.638645	5825.630463	5499.184416	6193.199237	6705.005318	6482.880095	5603.763405	8093.969964	6129.40168	6138.194264	6858.749915	6423.297494	6731.146269	5892.82286
0.61_119.5745n	102.5711767	0.60835	pos													1497.302015	1505.213705	2017.668859	1926.896741	2513.077816	1521.273861	1170.247716	2027.496712	929.0313405	1246.453751	1094.869976	650.5306473	1144.05802	1173.782916	1977.647871	1890.59551	1422.674984	2998.939233	2260.371872
0.61_121.5788m/z	121.5788206	0.60835	pos													4427.978161	5376.408244	4170.413452	5059.110729	5150.101802	5068.998021	3860.008907	3360.144409	3929.691234	4502.849296	4302.970396	3933.56058	6112.814847	6121.560063	4687.865356	5764.685124	5335.12043	6337.97125	4899.262163
0.61_127.1061m/z	127.1061096	0.60835	pos													2195.518069	2596.383617	2761.086514	3184.085539	3217.83941	2794.247182	2237.255533	5176.283138	4159.036769	3565.053949	2601.686767	1768.659873	2048.594734	1984.892786	1431.00706	2155.21837	2601.572358	1549.867113	3299.436493
0.61_130.0082m/z	130.0081581	0.60835	pos													3269.817238	4697.587588	3784.145973	3401.157849	3000.806457	2096.289924	3343.451331	3630.169139	5550.777952	3795.884802	3492.009645	2207.984211	3656.665217	2593.154133	2620.836058	3267.842413	2572.618467	2572.948075	2805.377344
0.61_135.9454m/z	135.9453821	0.60835	pos													6871.045529	8765.838374	7182.375943	7701.442648	7118.845848	8373.087598	7599.293316	7009.320449	7480.056948	7611.548477	8291.425851	6661.174078	9101.596236	7343.851506	6447.02419	8220.839743	8090.041747	7763.418971	7590.922629
0.61_139.9633m/z	139.963334	0.60835	pos													34314.09229	41990.73369	36410.77522	38905.15648	33166.12288	32667.37971	36413.33712	35669.59564	36894.4505	34120.79386	36415.45586	32840.39082	43418.41301	37565.23853	33974.33184	32310.18084	38045.44968	39656.77974	31836.44059
0.61_141.5821n	180.5463626	0.60835	pos													2041.383735	1187.559645	1704.889267	1973.743366	2370.586485	3233.172288	1739.41122	1144.885904	1398.346796	1909.731908	2111.03665	1093.216936	2364.153658	2374.777251	2315.700924	2868.670778	3295.26208	2553.802925	1237.704573
0.61_144.5815m/z	144.5814995	0.60835	pos													24486.90474	25386.76946	24469.24631	24666.98789	24019.28688	27925.41099	18960.70023	16195.47289	18767.84809	21737.81002	20434.22254	16938.99259	27479.85127	28019.17596	22881.76602	28227.75113	26669.24146	34782.69406	23642.90041
0.61_145.0833m/z	145.0833134	0.60835	pos													7394.654267	8592.521144	8279.142469	8587.917146	8137.750726	8465.626781	7246.204036	6736.359157	7655.026648	8281.361402	7921.817549	7784.06901	9282.685814	8279.812666	6256.698291	8249.332305	8046.565231	9291.324383	7900.1662
0.61_153.5865m/z	153.5865231	0.60835	pos													1236.463336	1868.418735	1710.772346	1188.544919	1263.398575	1778.211556	1091.214411	925.4906231	1198.758999	1421.292085	1164.644522	723.7629532	2196.447096	1810.550401	1402.199792	2143.453983	1759.828185	2494.835841	1849.693876
0.61_158.9619n	141.958635	0.60835	pos													568659.6747	594377.4431	549107.0702	602474.7077	532699.5939	523627.7042	567918.9307	569139.1096	590933.9575	539815.8096	571593.4473	510030.0529	639116.3334	590710.6748	529186.0598	528937.2331	551416.4937	626055.4672	496970.3683
0.61_161.9696m/z	161.9695962	0.60835	pos													6154.91362	8666.953708	6925.945358	6912.973387	5482.35496	6001.715422	6497.798609	6448.982587	6504.192953	6026.946079	6240.99453	6016.385475	8029.361138	7155.973192	5762.512385	5556.332621	7640.027597	7476.317917	5405.167754
0.61_182.9852m/z	182.9851731	0.60835	pos													594320.5041	615386.1208	559289.1695	596670.4303	535763.9544	540274.0351	554250.6836	558940.6662	589898.4321	553855.6975	582187.2378	524078.8629	661332.4644	614705.7625	553319.5944	536144.9868	552362.8474	642322.7779	505740.4211
0.61_191.1639m/z	191.1639001	0.60835	pos													694.3195766	1088.712026	692.361615	476.076062	583.2486442	508.73528	772.1330566	239.4028238	677.2219135	1228.885946	894.3062715	637.7351433	799.2087163	899.0279903	645.1211945	1111.566225	1624.652863	742.2396647	486.3693808
0.61_207.1052m/z	207.1051932	0.60835	pos													4719.801605	4431.889627	4422.753181	3406.412983	4132.90512	4723.717374	3428.013626	7372.501514	4256.000955	4528.141028	2854.719521	7254.136501	4558.745149	3854.747615	2588.881586	3960.885213	3878.927025	3416.57362	4410.573181
0.61_215.6044m/z	215.6044156	0.60835	pos													3972.155659	4954.456755	5236.122834	5001.637902	4761.402303	6084.10293	2940.0215	6593.678825	5025.140723	4747.047936	3263.505722	8110.951264	4155.827391	4051.468876	3525.154333	4864.095403	4416.236094	4835.555768	5106.264935
0.61_225.6077m/z	225.6076823	0.60835	pos													8598.364451	9756.054716	8640.641082	7307.59589	5559.172407	5317.822082	11709.70702	6353.756801	6166.466624	4341.289361	10623.30278	15355.52151	9925.123131	8605.843751	5494.253518	8222.325631	7114.401406	7505.150482	8264.802529
0.61_242.0604m/z	242.0604291	0.60835	pos													1601.696069	1762.584874	2228.048164	1042.181496	3526.604617	1884.003026	2335.909353	2949.164066	1804.280659	2222.215667	1269.22455	633.6209887	1195.458273	1369.915996	1585.889287	1088.033542	1122.738464	849.595552	1550.152674
0.61_243.6133m/z	243.613286	0.60835	pos													2064.786136	2296.914781	2665.760628	2134.053285	2380.678965	2191.262454	1344.372394	3653.436607	2780.604913	2052.063798	1023.673247	4192.304448	2176.477826	1583.934666	1031.296106	1414.483964	2878.928736	2691.875578	2995.180807
0.61_250.6212m/z	250.6211935	0.60835	pos													3983.28973	4468.749165	3345.593201	3213.773987	3747.4815	4022.994928	2519.240502	5355.48156	4218.667456	3425.276746	2953.638794	9630.688323	4915.07108	4742.462315	3889.598764	2432.189856	3777.891724	5170.367987	4097.697221
0.61_251.1232m/z	251.1231504	0.60835	pos													1205.212172	1054.895515	1013.660437	0.000297236	1097.996435	669.381009	196.7261629	1734.762377	891.9842603	222.7669674	279.0313988	1199.134557	1021.86963	1219.027682	870.4610714	766.1659119	348.944419	1397.768127	407.8122336
0.61_258.6185m/z	258.618532	0.60835	pos													4219.233171	4415.854479	2805.142773	2959.933002	2663.617305	2476.868413	2468.145021	6383.394183	3953.434687	2247.52008	3061.814255	9782.765218	4175.33201	3781.868007	2779.008718	2202.157911	2635.833121	3904.636009	3792.607434
0.61_263.6471m/z	263.6471347	0.60835	pos													5005.660648	3534.962156	4792.103824	5303.111351	4800.662701	2997.090669	3615.119002	6623.626246	4590.268302	3186.43939	3446.440294	8329.597965	3557.123398	3460.529653	4278.028735	4077.68087	3373.204098	5354.396368	3271.307067
0.61_302.6008n	341.5649842	0.60835	pos													1455.113766	1828.64613	1478.711624	1288.47817	1454.828496	2487.309193	1928.150575	3894.048147	1466.718951	919.9151483	1245.911455	3616.890311	1220.149566	1779.435468	676.1368108	2342.837798	2242.369799	1111.602372	1201.636461
0.61_314.1038m/z	314.1038237	0.60835	pos													20620.50648	17756.17901	19661.9678	18060.7797	21501.3146	19444.85934	15336.64225	34845.01773	25587.13757	12244.01985	13151.5435	34246.21403	15640.39234	13940.87135	13807.81237	16914.70915	15719.16704	21000.70921	16847.91539
0.61_314.6055m/z	314.6055101	0.60835	pos													5031.839431	4231.01201	4561.166637	3408.972963	4316.697572	3026.087764	2454.200056	6490.083121	4777.703961	3127.265363	2583.559378	8570.809863	1944.306099	2337.273017	4414.096843	3498.614487	3307.868332	4851.362178	2912.245241
0.61_328.9152m/z	328.9152474	0.60835	pos													16094.82613	20123.59705	15011.31894	17042.69796	15534.62474	15472.21399	15828.30756	15150.6726	17560.22879	17349.78372	16534.41097	14293.8873	20900.6284	18318.39357	14755.65763	17200.32141	16407.26082	18028.37356	14377.96761
0.61_408.6897m/z	408.6897199	0.60835	pos													12331.64999	13079.4205	15392.44659	18439.9442	17105.74909	16845.90332	13231.3571	10261.75407	11887.9993	9654.090433	15597.84958	15205.73316	9128.404454	15861.39415	11816.50386	15030.28284	14717.51793	17995.65065	14492.71936
0.61_409.1914m/z	409.1913759	0.60835	pos													4411.402502	4846.144714	5572.433807	6027.031863	3480.916278	4913.833557	4232.35012	2906.269457	4077.758824	2905.751276	4222.371568	5212.932902	2613.07396	2308.83079	3568.241952	4129.952944	4208.460665	8621.211704	2694.276255
0.62_131.0812m/z	131.0812096	0.623133333	neg													12962.03761	14434.83575	13237.10728	18851.81802	14211.26486	14220.35374	11863.89183	11938.92257	12299.7466	14650.36195	14021.15302	20001.46447	15863.13649	14102.75418	16361.46124	14782.4873	16334.09268	17216.41098	18639.97797
0.62_132.0846m/z	132.0845585	0.623133333	neg													457.0458373	419.8700706	521.6264925	794.0903	376.924889	624.6248102	458.0459771	382.4039969	294.0077956	524.6680725	577.714658	757.9059886	567.6017846	561.9395624	623.6482667	506.8594435	559.3512483	577.0736833	827.3876149
0.62_145.0969m/z	145.0969499	0.623133333	neg													51938.24196	53286.24231	54435.1907	64615.07351	55540.95466	51196.35699	50573.54361	47097.80638	40172.24378	56460.86741	51818.89799	66172.47979	60433.2801	59058.92684	55247.02803	51547.93817	59458.8277	54514.28178	75024.8541
0.62_146.1004m/z	146.1004328	0.623133333	neg													3791.424407	4497.271044	4553.219711	4239.725541	4497.991465	3975.889986	3013.848039	3408.519687	3779.278911	3325.071543	4674.19943	5238.492513	5612.101888	4169.606841	5131.394313	3812.097802	5657.436811	4318.095974	5347.414589
0.62_161.0919m/z	161.0919347	0.623133333	neg													3380.914048	4404.532065	4020.031255	6379.117605	2668.082608	3264.768965	3750.491409	2007.686785	2391.72336	3209.423205	4025.283812	5458.468639	5179.600951	4516.463137	5777.181159	4375.046497	4659.400357	5470.711677	5684.123422
0.62_177.0393m/z	177.0392598	0.623133333	neg													749.7504466	813.4250296	968.3179485	911.0807931	997.3694378	743.1290549	940.2251118	921.4658774	773.1769867	884.5062718	826.9610829	850.3206213	740.3622488	772.5822285	723.6883289	860.3960248	781.0183442	941.7339666	1027.955892
0.62_184.0818n	229.0799638	0.623133333	neg													6969.732658	6604.076625	8332.090003	10734.56405	5336.401784	5397.816196	5213.85173	4318.841578	3669.571383	6509.517881	7766.98126	9516.005871	9868.319013	8941.289753	8612.074085	8288.678598	9220.156247	11086.74794	10868.38039
0.62_213.0849m/z	213.0849137	0.623133333	neg													140921.1746	134271.001	150892.5947	161758.5216	145055.998	135025.5546	132708.0808	123816.3269	100801.823	145882.006	143921.5576	140502.2283	165212.2387	161382.6568	140243.4191	149677.1933	161302.3265	154338.4447	187415.8002
0.62_253.9867m/z	253.9867281	0.623133333	neg													1795.757094	2507.362029	2130.894886	2946.978508	2872.128578	2466.114774	1976.242526	2158.368709	2239.908469	2192.622513	2265.720547	3100.827748	2205.705693	2059.596793	2610.228129	1965.369292	2548.304363	1426.621483	1897.398089
0.62_281.0730m/z	281.0730012	0.623133333	neg													55817.69508	53537.61523	58929.96942	66800.42627	54108.42151	53763.56641	57301.02201	40372.77412	35336.59934	52324.58551	64643.03706	47895.28929	66772.45773	61293.89843	57620.65892	65794.50427	64244.76802	69764.93347	64298.20739
0.62_297.0678m/z	297.0678009	0.623133333	neg													2023.996881	2787.736283	2736.697356	3544.376899	2098.310294	1941.728839	1717.367801	1508.273168	1209.096868	2222.515382	3008.897002	2668.085876	3262.400305	2906.087174	3015.771825	2917.042298	3524.25887	3579.337687	2983.994945
0.62_299.1700m/z	299.1700067	0.623133333	neg													4770.895776	4003.862737	5200.658835	6597.921024	4241.715285	3384.000471	2385.444217	4286.146079	1953.987561	4541.142503	4898.498818	9742.988745	6191.23474	5800.853364	3840.684803	4461.947278	6909.256018	6307.926392	9965.040636
0.62_308.1340m/z	308.1339793	0.623133333	neg													2356.530679	2581.295934	2590.25779	3364.960909	2472.860975	1276.930383	1498.524688	2348.878468	1652.520975	2388.422152	2071.655217	3889.232225	3807.426672	3293.126746	1931.022579	2654.303664	2509.560683	2648.195499	5399.315683
0.62_313.1858m/z	313.1858357	0.623133333	neg													14763.86628	10851.48904	17115.48265	18431.66923	16199.82841	10627.60617	9095.794657	17142.82214	7965.844127	15939.62933	15834.39388	19609.48181	20631.12427	20333.35634	12275.36055	13073.18109	18294.49975	16984.59119	29843.97585
0.62_322.1495m/z	322.1494995	0.623133333	neg													9566.679095	8136.536194	10144.15393	10984.33704	9181.031161	7932.680752	7045.486079	7962.628982	5828.714491	9783.676316	8799.104837	11506.15287	11792.72732	12061.82405	7143.361125	9481.689519	10568.40531	11308.27132	20422.58961
0.62_326.1333m/z	326.1333492	0.623133333	neg													4438.74338	5409.366733	4893.146729	5655.145364	5751.160201	5900.835968	4031.179757	3433.073495	3558.082755	5704.959616	5467.923521	4257.255772	6417.031162	5613.932839	5209.067887	6261.966079	6192.907785	6593.923509	5450.389146
0.62_336.0263m/z	336.0262801	0.623133333	neg													5792.108451	4944.152975	3523.517658	4735.254941	4179.484041	5714.000818	6742.907912	3030.167718	4789.965539	3400.038434	3362.887788	4426.924257	3963.868681	4142.113661	4970.777464	7384.610947	3361.676553	5638.21043	4542.839221
0.62_345.0002m/z	345.0001567	0.623133333	neg													1516.327639	2127.88845	1276.275116	2536.828371	1394.078347	1792.157208	1329.128115	1165.856715	1344.075792	1177.626012	1592.89324	2492.981938	1629.800667	1377.718267	2071.447284	1919.702402	1701.923692	2098.425413	1525.364746
0.62_355.0945n	400.0923796	0.623133333	neg													1500.706277	1727.104194	2132.641449	2921.897162	3711.941738	2517.242063	1836.468334	2124.774675	1118.531299	2424.661407	2340.056859	3361.935005	1994.789019	3137.148632	2510.996807	1700.62945	2906.195266	1272.793592	2028.319935
0.62_359.0163m/z	359.016319	0.623133333	neg													11448.71772	13555.30014	10509.5961	13829.9672	12741.57811	12229.19374	14481.41983	8971.860315	10222.03206	10659.49029	12899.43026	12352.45696	11321.97055	11960.28508	13246.33588	13221.2186	11323.61853	14095.03638	10922.16325
0.62_384.2229m/z	384.2229428	0.623133333	neg													387.1619699	471.8255073	446.688324	1430.842397	1585.997929	986.9001138	365.8753527	600.3740988	0.000297236	742.6966783	717.3722251	817.5095069	313.1957155	472.4219114	613.218436	0.000297236	475.9003525	324.3871494	539.5666517
0.62_391.1327m/z	391.1327036	0.623133333	neg													15519.00364	22965.76906	16559.92305	29020.03249	22515.46819	21381.49183	23819.20392	13681.22794	14977.80895	16245.16522	23154.61434	33898.81641	20264.55394	20778.89399	23950.98942	18286.46829	21663.02256	17236.37864	20682.55339
0.62_394.1207m/z	394.1207316	0.623133333	neg													1622.860773	1540.961	1690.85264	2599.916474	2162.046189	2232.533767	1497.582825	1237.006453	1407.299388	1509.721828	2686.185077	1432.041048	2770.614602	2347.720424	2026.659175	2492.399842	2295.574955	3148.851897	2008.152219
0.62_397.1469m/z	397.1469156	0.623133333	neg													3725.49343	2336.210829	3572.078651	2426.629767	2577.371419	2349.226175	2558.998437	3462.722579	2416.389919	3312.058529	2729.213441	2973.936258	5316.873852	3914.19697	3112.388264	3339.824445	2897.683988	2970.449892	7730.048448
0.62_402.2358m/z	402.235835	0.623133333	neg													2742.502795	3946.345212	4797.160097	3369.564458	7008.534026	4110.412832	2843.978581	8277.116279	6532.715637	3281.747007	2969.196331	7781.067774	3140.610848	3164.253774	1961.803204	2113.623193	3041.583174	2859.115898	3097.892595
0.62_404.0137m/z	404.0137161	0.623133333	neg													2437.278516	2701.479786	1771.392044	2755.591121	2068.581924	1865.49827	3187.575626	1780.921744	1733.845852	2201.110564	2533.748727	2240.761767	2101.104314	2254.385934	2207.866887	2595.664966	2133.024166	2917.3525	2112.300189
0.62_407.1063m/z	407.1063222	0.623133333	neg													3253.242516	2620.838831	3565.657762	3047.885561	3042.427886	2375.953952	2495.699416	3520.357144	4449.921498	2823.38192	2963.143424	5390.283339	3493.299739	3700.922377	1955.935846	2607.358656	2910.996477	2570.741388	4444.089824
0.62_412.9879m/z	412.9879299	0.623133333	neg													1137.83869	1452.377864	1132.968789	1633.542925	1356.953207	1218.467851	1200.43738	935.1889262	1276.572088	1320.561621	1390.750021	1579.023005	1416.120413	1346.55606	1377.986692	1280.44592	1236.271349	1578.919165	1078.634801
0.62_423.0717m/z	423.0716708	0.623133333	neg													1278.214989	1353.41146	970.8352203	1335.816519	810.9436517	954.8935996	1783.57655	841.2545779	3743.489666	983.2897597	1100.442083	1322.591752	1566.441344	794.3037472	1130.565562	1352.866536	542.7307186	2476.066634	586.6475241
0.62_424.2179m/z	424.2179217	0.623133333	neg													3531.939518	3382.086916	3393.017181	2554.257909	5403.367492	3291.969573	1987.422883	8607.176111	3872.678445	3164.964291	2279.35815	5455.877295	3189.724185	1771.878843	1959.733075	2033.173697	2730.35827	2186.273217	2622.784487
0.62_442.9774m/z	442.9773611	0.623133333	neg													2874.206949	2200.238669	2058.864502	2841.661267	3642.003818	3439.621065	3099.134771	4207.0303	3353.282022	2153.596426	2948.648677	2500.563662	2840.885851	2263.140778	2584.149681	2284.870656	4177.886327	3349.961081	1864.9358
0.62_458.1245m/z	458.1244926	0.623133333	neg													4964.975125	3327.917716	4728.55188	4299.79933	3857.992429	2878.701041	3887.049564	3272.025482	2267.256231	3982.772771	5516.598867	3217.894592	6184.128137	5016.65776	3499.971792	4757.60102	4476.084287	6235.982012	6315.53398
0.62_459.1192m/z	459.1192352	0.623133333	neg													8399.511657	11837.57778	8446.643345	14744.36085	12704.27957	10745.59679	11435.89372	6877.305242	5811.168503	8161.572646	12705.36532	14013.43909	10703.06315	10467.73457	11955.89329	9809.432621	12578.79263	10881.96656	10314.55525
0.62_462.1079m/z	462.107872	0.623133333	neg													747.3700519	887.0484036	923.3302002	758.9258022	419.3495922	870.9044525	347.2485035	170.9297269	279.5270847	923.9860558	976.7210932	98.39941233	1050.939422	927.5385136	944.0934506	1188.721241	905.7300377	1505.726519	400.8553694
0.62_472.0012m/z	472.0012283	0.623133333	neg													5339.462583	4144.618597	3913.31319	4130.641613	3371.332347	4417.104965	5210.01845	2493.062865	4177.589167	3249.967187	3494.614512	2189.58109	4541.569164	4560.399696	3635.452441	5586.835227	2264.069037	6489.214666	4432.360882
0.62_474.0989m/z	474.0988573	0.623133333	neg													8124.900242	5882.099699	7243.01889	8050.128403	6542.361548	7672.036143	6467.982356	6109.324063	7365.146705	7056.49111	6659.780585	9453.278694	8770.355693	8977.393174	4525.052537	8143.885739	5898.330021	7714.447399	8627.340366
0.62_482.1151n	527.1055416	0.623133333	neg													8507.975453	9273.024031	6644.993965	10151.90107	8974.481378	8109.633934	8219.001973	5494.231801	6167.78719	7306.975932	9291.624798	9340.169667	9972.567426	8094.476395	9750.473441	8036.347773	10022.29943	8349.072283	7741.595144
0.62_510.9640m/z	510.96402	0.623133333	neg													5536.448896	3770.585231	6111.961112	4353.139374	2900.434141	5694.660618	4093.116186	3886.00062	4213.233532	5661.207836	3994.48623	2814.29454	5683.361516	5165.431029	4724.549896	5411.031306	4449.74195	3923.014824	4908.049019
0.62_517.1480m/z	517.1480143	0.623133333	neg													5130.101738	5231.819846	6260.700256	6470.971428	5364.735297	4538.682079	6269.002697	4029.562217	2361.671364	5486.007786	7397.253666	3841.362255	8402.678066	8441.923107	5926.519559	7672.980266	7111.915676	10073.05062	6993.989292
0.62_526.1119m/z	526.1119128	0.623133333	neg													3204.229962	2334.203641	3574.416963	2648.302009	2009.107354	1226.4746	2537.020203	1913.433912	1420.283402	2559.38766	3520.709405	1874.643764	3737.953321	4271.153654	1885.847823	4385.346047	2837.754111	4191.760249	4129.501316
0.62_533.1221m/z	533.1220562	0.623133333	neg													8227.085936	5631.616745	6589.181641	5600.103386	4446.191367	5275.306184	6998.30263	4684.213788	5060.629328	6772.687074	5155.943569	4416.66444	10186.82267	8642.243155	6450.878816	8076.241421	5003.182211	9528.730686	10705.74676
0.62_536.2265m/z	536.2265178	0.623133333	neg													3236.193921	5130.96089	3488.927411	7907.485151	7231.735929	5189.555326	3248.196548	3131.955806	1675.960442	3594.52977	4877.80279	7071.595943	4121.112534	4610.215611	6553.65273	3176.298823	6345.901459	3292.060917	5039.680552
0.62_550.1028n	549.0954792	0.623133333	neg													6844.153739	5930.178613	5488.990906	7387.377493	5307.37113	5693.543224	6116.67465	5225.000102	4800.986181	5507.535275	6651.452346	5981.837492	7821.819099	7488.879372	6135.588999	5684.888287	6770.095512	8514.164624	7529.627932
0.62_553.1865m/z	553.1864956	0.623133333	neg													657.6508512	418.1222988	476.7020416	844.3337686	311.7149424	503.9023932	577.0545098	466.7175654	753.1484528	695.8763322	1345.127811	1029.056113	1021.803587	1056.195244	907.9396008	856.4763651	764.1197663	707.3048105	505.9439544
0.62_562.9779m/z	562.9778865	0.623133333	neg													3166.619061	3206.370909	2805.115157	2388.595864	1645.793782	3495.932474	3017.848397	2567.057487	1427.032812	2686.846643	3509.14226	1240.950283	2229.14131	3545.415522	2240.363845	3487.470799	2115.799788	3328.808479	1976.256711
0.62_586.1440n	585.1356695	0.623133333	neg													5004.967397	3422.071843	3765.65453	6102.836129	3760.680739	3095.931017	4241.450023	2496.850599	1743.373927	3813.090747	6286.56015	2176.603193	5996.996257	5214.962012	4867.708668	6701.829588	3558.63199	7087.786906	5317.458992
0.62_587.0940m/z	587.0939956	0.623133333	neg													2186.57543	1565.894756	1780.658875	2077.566808	822.9764544	1056.197791	2000.301509	819.3538472	1344.257212	1042.617293	1226.722652	1050.98602	2043.832177	2247.603835	1717.134225	2598.765485	1456.577886	2957.084754	1878.241026
0.62_593.3578m/z	593.3577946	0.623133333	neg													989.6586715	687.3789512	1274.642883	3176.312622	3088.759561	396.7110848	0.000297236	2172.331558	441.8129522	1515.356815	2685.947476	4598.391069	1147.335942	2056.195231	1529.70538	1064.924118	2644.833157	977.8020031	2853.60172
0.62_601.1095m/z	601.1094502	0.623133333	neg													7556.358904	6071.925582	6226.095807	6978.228484	4872.932915	6357.142947	6504.316656	4471.884007	3582.693154	4529.810437	5562.086519	2794.757749	7988.342056	7296.430798	5198.227832	8513.081754	6299.6642	10879.63549	6937.051368
0.62_617.2472m/z	617.2471924	0.623133333	neg													851.1167355	718.2432529	1038.069586	532.0392963	1050.947901	368.32898	0.000297236	563.7218498	508.0051402	1226.952139	1089.010149	885.872342	1553.307492	1539.795765	881.0143974	1288.316003	1716.369334	1003.875735	2449.631203
0.62_653.1228m/z	653.1227696	0.623133333	neg													2320.079411	2010.03822	1484.570668	2472.858324	1714.116431	2467.713866	1774.991146	1185.050973	808.3195278	1176.634668	3535.511006	0.000297236	3224.657697	2472.696617	1916.010248	3361.90988	2130.594204	3590.347859	1264.526901
0.62_663.0801m/z	663.0801415	0.623133333	neg													1899.421299	1217.880612	1720.816345	1342.612527	1436.083092	1323.515455	1296.591837	1128.135092	628.5822204	1969.758832	2177.551882	602.0536112	1821.500648	2148.03685	666.0597688	1747.962577	1522.48824	2102.107036	1109.58226
0.62_669.0969m/z	669.0969145	0.623133333	neg													5501.477433	4989.635671	3858.286499	4959.568903	3481.489684	4487.487293	4897.958329	1936.869346	3128.966273	4143.31805	3792.389775	2231.982861	5534.889775	6232.727345	4143.800744	5257.900639	3581.778568	9009.978964	4636.330824
0.62_688.9978m/z	688.9977985	0.623133333	neg													2555.798835	1644.31013	2015.175503	2344.400364	1881.782505	2178.341257	4122.429795	0.000297236	696.6462718	1596.359528	3977.726583	853.0270208	3088.690391	2328.083319	3554.906303	5098.552908	3409.36312	5394.262265	983.9005506
0.62_693.1738m/z	693.1737945	0.623133333	neg													1975.524497	2488.005392	2015.575806	2576.526883	2681.321751	2187.426066	1464.063117	3376.134204	4065.687586	1654.81095	1985.98979	3871.730076	1894.36514	1656.330463	1919.210337	2126.345116	1896.971408	2159.313746	1719.899344
0.63_113.5815m/z	113.5814669	0.62635	pos													812.4414051	1098.446244	1312.758255	1159.435826	784.1070953	660.4659734	1204.781651	561.8650544	770.013553	440.1970568	1319.034604	866.7736988	1147.136646	1493.411029	1106.946754	1388.413917	720.7248318	1679.01821	1452.732728
0.63_114.0608m/z	114.060821	0.62635	pos													5098.368048	5220.791145	4334.112419	4774.870063	3535.57604	3486.646327	7339.144535	2795.967359	4496.86442	5378.366109	6312.956726	2458.004345	7557.572886	7029.510189	7436.416551	5157.562103	4148.344422	3632.310556	4807.70037
0.63_120.0789m/z	120.0789486	0.62635	pos													2466.493798	1683.778314	2458.418924	3073.249816	802.4775184	1165.794978	268.268011	1732.74092	1464.855555	367.9423668	1982.829164	6118.686522	992.4320469	1154.15879	2483.914967	2981.738791	1246.38367	4071.743873	4197.886945
0.63_123.5944m/z	123.5943887	0.62635	pos													18927.36351	19336.83722	18930.26961	16672.2813	20541.00147	18253.78027	18206.18957	28578.11052	22251.29621	16625.91597	15886.8879	24924.25157	18512.68891	18147.35586	17529.83272	18026.43058	19378.87182	15860.91551	17963.50828
0.63_124.0960m/z	124.0960084	0.62635	pos													1983.709023	2053.938682	1957.947914	1363.630167	2387.88014	1975.731601	2242.745409	3015.890744	2648.730665	2019.547588	1402.777924	1565.307477	2273.339012	1196.575702	1099.280319	2304.967971	2075.15927	1751.682634	1800.067482
0.63_124.1188n	163.0838235	0.62635	pos													44427.24359	43678.00867	44529.98341	43602.92064	34270.71991	32985.6769	46388.34264	31479.65578	35433.1357	30191.78964	41888.86289	62396.0802	43721.54433	46140.50722	41473.66346	41359.39716	40556.62602	41757.10779	43354.32468
0.63_131.0896m/z	131.0896384	0.62635	pos													25765.87744	27614.38185	25146.27664	28115.25995	25431.45098	23996.71392	25166.56285	22929.59647	19376.6243	23568.44261	25239.58825	28366.46618	30004.27102	28213.4931	29471.36911	27401.46835	28280.94674	30290.67344	31812.66311
0.63_131.5736m/z	131.5735695	0.62635	pos													498.230861	672.1455884	444.7922955	225.6683957	893.4306935	248.4262361	639.9702647	146.9798861	316.2677332	607.5545637	207.4298653	174.5129367	195.7796275	257.7325257	337.7966157	272.2474595	571.2728915	366.4792586	371.3671962
0.63_134.1005m/z	134.1005007	0.62635	pos													9797.695014	8869.450641	9499.332299	11935.38689	7669.181246	8011.946155	7026.949283	7664.539346	6955.36457	7802.828687	8624.771676	14459.0847	10929.4014	9843.641375	9955.33493	10879.01114	10336.72748	12034.56487	12580.91914
0.63_137.0761m/z	137.0760611	0.62635	pos													1281.528486	799.1715042	839.1730804	311.4839682	861.5439788	494.3492955	606.7739543	702.5744004	604.9471096	709.9677351	1005.274219	771.2113058	574.613266	396.5404705	822.5682746	101.7518583	1012.431666	1050.30554	961.029635
0.63_138.5994m/z	138.599446	0.62635	pos													1592.429551	2143.571213	1622.040433	1257.379236	1742.709554	1845.211325	1557.526835	2690.895918	2486.650025	1684.197088	1725.981435	2747.933512	1525.245507	1010.874741	397.7256146	1538.600651	1350.142761	1481.945027	2263.241256
0.63_144.1019m/z	144.1019315	0.62635	pos													4571.268216	6288.289219	4894.03374	6056.375263	4940.826398	5046.101424	5184.915178	3029.169737	4625.35169	4456.553735	6111.020916	2064.314069	6939.135217	4358.57183	2792.035901	5335.34441	5737.088496	5530.846687	6036.972414
0.63_147.1087n	148.1158778	0.62635	pos													126577.4627	123867.796	119996.7047	133308.6588	120306.385	117481.7658	119539.3649	104228.4534	90885.35145	110859.9082	116831.623	137433.2268	141202.1904	133807.1793	134288.4903	132418.258	130786.3639	138948.556	149201.1233
0.63_157.0801m/z	157.0801187	0.62635	pos													44448.42297	46100.96658	43622.90519	46583.91999	44698.39225	43459.83216	41294.53717	41542.1078	38421.82283	40065.42937	42600.43765	51819.74747	53389.14729	47423.34738	50394.91631	52123.07452	49192.49346	49587.71669	54685.82516
0.63_163.5855m/z	163.5854683	0.62635	pos													4492.12526	5026.908521	5691.199165	4997.517019	3754.2847	4506.298011	5956.08017	4225.032785	4860.438585	3629.080403	5261.655586	7212.206241	5407.774009	6018.822705	4325.227803	5003.600473	4628.101954	5881.082583	6025.449468
0.63_202.6287m/z	202.6287309	0.62635	pos													31789.95869	33515.92465	29167.30393	26910.65496	46280.49597	35142.86776	26670.49679	71030.86281	46754.62124	27957.16263	28429.7256	58863.89547	28236.28993	27861.0109	23821.66155	25348.93566	27526.77966	31824.0771	27959.90297
0.63_234.6080m/z	234.607977	0.62635	pos													3347.909625	3033.321603	2229.081284	3385.495437	2945.736776	2791.68984	2992.484637	5484.280479	4113.284655	3685.849873	3423.70814	5414.131439	3378.048203	2439.741658	2140.450464	2357.937169	2669.328786	4286.807679	2846.690177
0.63_243.1089m/z	243.108866	0.62635	pos													12092.56366	13211.63102	12729.92278	8962.018086	16290.17717	12747.13178	15068.34571	9025.358062	9016.97156	15373.77347	12831.13599	8388.632511	11875.81634	15697.25602	10992.6198	11169.74458	13051.18452	11035.40994	11505.21579
0.63_243.6044m/z	243.6043867	0.62635	pos													9034.024486	11223.41834	11722.6572	12319.62564	10607.76267	13204.79401	7745.939055	16020.66738	11773.6779	12216.34979	9739.250233	12958.58207	10161.39966	9142.226225	7605.667722	9930.833391	10524.24697	11761.12067	10599.28848
0.63_246.0296m/z	246.0295907	0.62635	pos													5712.656758	6789.397989	5658.357611	6282.834318	5650.736246	6089.885882	6379.142824	5535.671847	4800.123593	5802.200755	5760.612189	5957.495416	6999.491589	6695.663219	5584.095607	7122.036804	6173.713342	6787.471413	7807.057821
0.63_249.6132m/z	249.6132094	0.62635	pos													5783.824506	7400.665997	5747.361908	6012.055789	7073.753442	5810.048411	5014.298692	9743.704472	6905.752347	4500.550292	6376.017823	11863.47273	5877.073958	5949.634788	3568.276143	4152.435843	4314.342401	5473.939591	6615.499113
0.63_250.1148m/z	250.1148006	0.62635	pos													679.0255994	972.9547366	750.99235	0.000297236	736.4203851	813.1093227	492.8165119	1591.023591	1257.754989	1100.04642	0.000297236	1963.724546	411.6679925	767.3093532	0.000297236	395.3039617	778.2133219	1047.778339	658.9535085
0.63_256.0014m/z	256.0013512	0.62635	pos													6456.859989	6791.316864	6942.27973	7142.281238	7345.321872	8272.749508	7222.428843	8010.791876	6206.178792	6614.891346	7753.961731	3952.356816	7488.010241	7299.290911	5151.050099	7235.294859	7763.557618	8794.683982	8501.894281
0.63_265.1638n	288.1551929	0.62635	pos													46687.9984	50735.02415	46908.16046	50174.4086	52438.45288	48077.93587	38687.30618	35069.2061	41393.51708	52021.64141	45621.98022	37333.37502	60214.61602	59916.65469	49189.7208	56955.3928	52776.87152	62861.62393	53195.82597
0.63_275.2077m/z	275.2076509	0.62635	pos													12512.16951	11637.45493	12565.67891	8680.65252	16240.6959	11039.11881	7450.391708	21395.58163	15776.69882	10210.96286	7683.369549	19817.80111	9957.702895	7734.86432	8609.733976	8969.834882	10166.05347	12473.02416	10443.80088
0.63_302.1820m/z	302.1819903	0.62635	pos													1661.65077	2110.006735	2823.00948	2557.530599	4176.786374	2996.453403	2957.392597	440.7365758	1482.596049	4473.283539	1515.792077	0.000297236	1384.287261	1106.512806	474.7451426	2080.52929	4088.694385	2036.840156	5863.957924
0.63_336.1744n	359.1638496	0.62635	pos													46604.28423	44677.90412	60146.91995	51597.57867	49486.88636	43198.76142	49428.56146	31781.54304	23459.6897	41511.9718	52044.93718	50142.37193	62406.81354	49637.70597	68418.3707	61717.29906	55251.89976	64365.95712	72440.37187
0.63_378.0832m/z	378.0831926	0.62635	pos													4037.674861	3572.253873	4649.806671	2999.775421	3202.259587	3091.296422	3116.446215	2601.689758	1876.44881	3967.667513	3428.71938	2335.370226	4603.559742	4111.820979	3763.973709	4573.491277	6446.585331	3075.824232	5099.731521
0.63_404.2503m/z	404.2502829	0.62635	pos													13569.7273	15437.62047	15680.60325	11643.96632	24406.84894	15035.04779	12972.10628	39882.13369	24094.64564	14092.99185	10678.25157	31652.8005	11883.32293	12083.13033	13322.30919	10497.15178	14810.23993	11653.74272	14191.64686
0.63_411.1869m/z	411.1868795	0.62635	pos													3586.311335	4924.897629	3700.506958	4076.743075	4945.760126	3949.341988	3678.246554	6240.407602	4234.54111	3909.089612	3140.382136	3791.588948	3469.950976	2045.73066	2743.716889	2498.109744	3703.234112	5330.709476	3544.951953
0.63_437.1082m/z	437.1082483	0.62635	pos													2560.049455	4394.292566	3897.529327	2864.080477	3010.198429	2804.104249	3121.55678	1073.083377	8.362581814	2958.825374	4250.370497	2488.931992	4042.489291	3894.046988	3214.771036	3913.113205	2452.576779	3102.344105	2778.65113
0.63_504.2627n	527.2519005	0.62635	pos													13577.22367	20457.77325	21329.24941	19638.89737	20323.26862	20969.03092	16263.04359	9862.522783	3669.567668	24837.85809	20678.6457	14774.40574	25245.21982	21432.99804	17668.62961	23225.74833	24559.44415	28421.31015	37099.31101
0.64_1040.6514m/z	1040.651385	0.641183333	neg													6877.041767	4995.649946	6000.113007	3640.500342	8482.694032	6058.842767	1923.626187	12493.4826	14917.2599	8573.668809	1980.815345	9743.425302	2596.082946	7102.441672	0.000297236	2040.037911	4751.452875	2631.267958	1880.910957
0.64_145.9484m/z	145.9484172	0.641183333	neg													538.8657889	537.2541009	403.9031792	549.153714	348.2959873	477.9162659	470.1287147	457.8322909	398.2270809	575.1346694	203.1046193	614.798023	528.5838971	491.8944526	372.4337145	388.5519422	530.330545	164.6353187	584.6848979
0.64_154.0609m/z	154.0609223	0.641183333	neg													178752.6956	137348.856	169154.6107	155608.9388	150238.5125	140557.4292	121205.0077	172990.2128	140618.8687	158186.8597	142531.3722	159444.6539	183285.3051	173458.9432	132239.0695	145227.2212	160106.7015	200702.1896	233431.1384
0.64_154.0718n	155.0791029	0.643516667	pos													33482.36573	34899.92278	34396.61036	43477.30864	27130.71592	29088.83979	26816.51239	21942.38356	22153.72968	28931.19995	36641.97386	28715.23724	40899.74987	31739.2698	31055.54238	49127.20545	40655.3014	51278.95052	38589.234
0.64_155.0644m/z	155.0644024	0.641183333	neg													10216.94585	7361.836831	9283.137504	8771.610617	8522.609743	7583.378629	6610.609677	9065.301016	7790.447056	8120.139412	8047.879389	8921.394136	9572.522412	9729.312963	7275.97791	8038.922787	9110.226806	11140.9799	12140.9522
0.64_168.0875n	169.0947801	0.643516667	pos													344646.0878	350484.0916	341352.8665	372503.4729	329212.2116	323182.9611	323170.9721	270227.2846	239364.1037	322950.9411	345917.8617	335880.6491	421044.0601	354848.5723	413104.994	406493.3401	394270.4196	417335.3842	403416.3317
0.64_169.0906n	192.0798299	0.643516667	pos													13288.73072	11024.07787	11599.32307	9220.890234	10415.16834	10971.72091	10527.21828	8845.567309	7566.447958	8789.312895	11524.36173	13626.43089	11889.60018	13311.92009	13894.41205	15518.70856	12812.80413	14695.58035	11720.26849
0.64_170.0457n	171.0529875	0.643516667	pos													19544.16698	21975.65227	21799.7695	23533.73485	15930.19126	19340.33849	12423.7224	20111.15425	19778.44987	19027.69614	13206.51538	39381.23505	23379.42175	19614.24449	19194.73488	21950.95295	21703.74253	21501.3023	32925.91967
0.64_175.1149n	176.1221383	0.643516667	pos													90389.71128	96135.86681	102670.4264	99703.33601	97896.04027	86671.90995	94427.32378	78694.29711	68584.15209	83168.43048	87178.2376	98914.24924	110830.7783	96329.26856	108131.5495	106485.3334	101708.5371	100263.5941	131039.6458
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0.64_177.0513n	178.0585441	0.643516667	pos													174294.3486	183245.0606	170177.4365	185556.9915	174254.5998	162704.8936	159375.2655	148474.9892	143540.1916	160296.2297	172858.247	175307.1297	197422.6654	178560.7519	198874.1114	206376.3445	194160.8625	207483.7864	194880.0384
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0.64_222.0591n	261.0222297	0.643516667	pos													15835.96887	16327.10251	15542.47531	18217.71885	13398.70305	13158.79428	10489.6753	9597.445314	10255.55085	11684.6492	15350.73581	15369.35533	17028.32149	14001.54054	16160.78789	20150.50245	17130.51447	21416.27712	14619.30836
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0.64_261.0126n	284.0018646	0.643516667	pos													42002.20448	42006.30699	36010.17237	41534.31392	40235.6761	36187.20548	35955.99464	41172.8905	44095.87421	38913.45143	32947.8115	49112.11648	42329.78686	40211.6363	40195.99031	41455.60421	39881.94401	42415.88399	40626.23301
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0.64_297.8789n	320.8681256	0.643516667	pos													14411.90009	15312.7686	12936.27336	13856.17728	15445.06813	14520.70459	14271.73084	17636.03267	18004.41359	16461.45544	14031.68348	17761.74866	16264.33935	14364.63362	16440.70743	15708.67231	14782.60034	17472.49372	12152.70739
0.64_306.0205n	329.0097073	0.643516667	pos													27651.42233	30299.47836	25943.25078	30740.9775	22795.58259	22882.72005	20088.87036	22790.86631	25612.06522	22590.35665	26279.24129	36381.5103	31029.69214	25938.84457	26971.39371	33269.54042	30104.33178	32051.5663	30080.83117
0.64_306.9858m/z	306.985759	0.643516667	pos													6836.015511	6837.775427	6493.800081	5168.228619	7076.660052	5726.76321	4295.400885	10227.7266	10006.03468	7127.06957	2705.242313	6643.982902	8209.947523	6610.914915	4056.159076	5452.678222	5551.346351	4864.985932	9685.705422
0.64_309.2034m/z	309.2034363	0.643516667	pos													10530.44332	10271.22375	8432.860883	8549.906453	9868.133816	11847.8912	14142.08472	6806.624277	7616.399736	8337.781774	13266.85201	6610.477291	8675.77422	8438.890687	8287.605583	10885.64096	13039.36886	11586.96007	5781.240928
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0.64_313.0261n	358.024572	0.641183333	neg													20520.84078	22102.17761	21533.08911	25455.50421	21301.52262	22342.94291	24292.65943	14568.52289	14308.29745	19200.49015	27083.93489	14817.40119	23156.9166	25062.71484	23257.3555	27325.72149	22613.27544	29024.64064	20520.00971
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0.64_322.1594n	345.1485921	0.643516667	pos													18798.0943	16705.71316	24595.08899	24708.29612	13908.36924	14282.17259	14205.14173	10165.43448	10271.98412	14330.8137	17338.32506	20124.42498	25455.00149	16228.14359	26163.61857	29677.57262	28316.61	29705.31618	32659.88593
0.64_324.1514n	347.1406409	0.643516667	pos													32738.7325	34955.52538	36349.63374	38314.09209	36487.43027	29845.76566	37308.34	29940.95906	29651.20114	34551.56601	38679.90679	48626.32928	41894.02593	36628.44518	37597.52368	35277.30889	38190.19819	35502.59417	44157.43395
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0.64_336.0100n	358.9992011	0.643516667	pos													113123.9976	118922.4154	99368.78068	101733.1669	107833.6385	94521.94733	90499.02826	118698.181	120022.7375	113640.0339	83702.66811	153099.7915	123308.3988	104485.3345	109320.518	113730.8175	103751.0651	103341.9	135329.0693
0.64_336.0154m/z	336.0153522	0.643516667	pos													10527.52773	11082.26915	10260.97981	12705.07581	11256.70636	10290.61944	13882.39795	7488.692766	6465.226014	9368.399179	15895.19015	3709.153381	14488.91194	10730.39047	10409.25653	15761.82456	12949.45111	16428.37085	9731.637
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0.64_361.1125n	384.1017018	0.643516667	pos													12052.12115	16702.8891	13468.39455	12252.897	15561.69619	10214.03996	10707.17767	10193.62358	14640.74197	13621.88592	9913.102393	18847.26483	19677.07056	10341.33293	15221.36455	15523.96045	13409.3499	13374.77313	22490.75668
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0.64_367.1138n	368.1211176	0.643516667	pos													113879.7431	113898.571	108988.3439	121040.9828	117534.5373	108559.6027	121460.0139	98088.37023	118201.5637	115040.7984	116633.5777	122382.4435	128024.8024	122755.3978	119409.2124	134058.0527	127886.4848	136384.2363	144290.0578
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0.64_403.9976n	426.9867818	0.643516667	pos													63577.81882	65996.25486	55683.79618	57426.00083	65701.40638	61057.92495	54401.41649	63139.17938	63736.4513	64849.50829	46814.96776	78834.75973	66533.70752	57316.24349	55870.96156	64452.82403	55368.27857	58500.71498	68179.31497
0.64_404.0029m/z	404.0029153	0.643516667	pos													4744.098162	6397.313963	3740.540527	6730.769151	5730.462724	5671.380193	7221.534227	2584.120098	3312.881379	4328.957307	8587.478187	4607.797988	5587.450027	5843.537653	8679.382687	9608.047571	5954.833136	10085.69561	2462.615045
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0.64_411.0782n	412.0854696	0.643516667	pos													33613.271	39992.92234	32259.50544	39733.82502	43391.04156	28702.79198	37016.79092	21843.22623	29091.73827	36640.72276	44513.99238	38412.77008	44493.26066	31115.85361	34336.17155	42878.69046	40788.00981	44636.15756	38810.26727
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0.64_413.1263n	452.0897325	0.643516667	pos													16034.9477	17942.46329	14970.03815	19401.45262	15401.14949	11570.79457	13674.41386	8681.855071	12149.99022	13542.30198	18850.31317	13129.42663	20776.48057	13466.13698	16041.51084	21439.88197	16727.14241	21813.89995	17200.97494
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0.64_420.1363n	443.1254836	0.643516667	pos													40034.4701	38593.25986	43320.86783	45339.41581	46007.49122	37686.07878	36806.54367	28036.44131	22756.69474	39139.28778	30716.94539	48575.08378	59494.56525	37189.8869	47831.83669	52506.80446	45486.64711	48637.17354	67174.04886
0.64_425.1536m/z	425.1535567	0.641183333	neg													2064.206455	1917.489886	2316.286682	1389.959364	1431.964646	1661.52134	867.2451119	1885.679858	1699.104077	1576.317156	798.802432	1511.945031	2896.960356	1516.556156	1376.528661	1619.24645	1901.296246	2205.822344	4476.356393
0.64_426.8383m/z	426.8383203	0.641183333	neg													5485.471077	4545.305317	4576.442744	4326.208349	4655.061215	6364.340671	4812.808436	5755.45401	5705.648377	6045.119709	4024.69773	6271.0807	4747.512717	4934.627974	3462.04096	4910.950783	4509.542034	1972.313232	4146.987112
0.64_428.0813m/z	428.0813409	0.641183333	neg													5487.573915	5684.404443	6884.303634	7702.576639	6905.076027	6394.847764	6881.679176	4021.087313	4961.072985	6270.342894	6852.588526	4224.678792	6986.833763	6297.336957	5069.522124	7130.019528	6742.24148	7007.221192	6646.79278
0.64_434.9800m/z	434.9800014	0.641183333	neg													3965.814239	4349.981392	4491.824554	5770.942724	3794.688789	4510.86255	2794.016182	4910.127524	4027.354341	6726.320242	3467.936821	7321.68707	5196.846039	4584.04448	3515.318873	4443.714247	3683.709456	5019.394479	4584.934072
0.64_440.0371n	479.0003929	0.643516667	pos													40002.99279	45152.11127	36182.47105	51369.21628	41917.5852	33616.78815	45736.41691	25331.45915	20285.74714	30085.85446	57174.89936	25129.97854	48449.51505	34136.24079	61991.10342	61413.82345	50855.03899	64649.8031	32247.29271
0.64_445.0299n	426.012021	0.641183333	neg													11033.11745	10401.86841	9815.812364	14315.80132	11171.55328	12186.57961	12978.913	5500.033442	6357.086219	9474.862485	14510.65607	5803.054293	11514.18408	12847.17272	13378.92402	17388.21601	13122.91623	16598.34046	11718.79344
0.64_448.9959m/z	448.9958819	0.641183333	neg													32794.6631	33533.26484	30228.45269	35014.628	32514.48463	37153.08449	29571.09198	31092.97382	35713.94027	37272.53301	24374.57784	34472.36422	32113.24956	33156.72661	29012.25504	30829.8196	28209.02852	30433.65079	38222.03537
0.64_461.0282m/z	461.028243	0.641183333	neg													17818.7174	18775.79428	17702.40175	21939.69371	17888.83544	19896.2547	22447.95714	14281.90886	14038.72538	18996.81267	20823.89655	14364.25614	19361.11896	20592.33339	19871.1936	21129.08347	20371.75174	23758.01798	20594.98352
0.64_464.9696m/z	464.9696102	0.641183333	neg													7710.318586	11006.95923	8769.844518	9326.525708	7812.921266	10106.25436	7443.137148	13803.09672	17703.28534	11185.62498	4943.498285	18297.40059	8316.61146	8892.775665	7758.649009	7495.059951	7710.854006	8711.048753	14043.50533
0.64_468.8966m/z	468.8966391	0.641183333	neg													103802.7745	111712.6438	107290.3127	127629.6453	106759.1308	118074.5257	140140.173	64858.95144	72274.23469	94389.19865	163239.1787	55153.65418	101907.5602	116543.1942	129236.5064	142798.6952	118663.9548	151200.1878	75542.71703
0.64_471.1317m/z	471.1317379	0.643516667	pos													6164.237557	6755.1261	4343.550942	7942.499937	6877.598408	4685.583441	7051.811267	4193.944739	4743.877542	5893.075627	6427.440124	2630.147318	7671.887793	6951.860775	3191.79371	6832.279945	6389.218131	8010.093601	9480.669272
0.64_471.9852n	494.9744389	0.643516667	pos													68649.40714	80624.58091	61750.56933	70111.06273	77526.0232	68673.41998	67207.15476	67673.40213	76430.28984	75452.51876	65422.21931	90382.03875	77617.60303	67383.60757	76217.02085	76739.76007	69893.79717	70040.69712	82819.89969
0.64_473.9340m/z	473.9340061	0.641183333	neg													3098.99744	3365.481603	4030.68274	2996.742856	3483.322475	3240.795225	2823.475952	6707.6689	8229.62398	4813.399146	2341.310221	5415.286079	4064.765502	4002.896516	1727.328736	2754.552675	1004.733747	2143.452406	4584.659285
0.64_477.0020m/z	477.002022	0.641183333	neg													16237.11375	15980.37308	14624.29594	17965.54281	16176.68194	18266.65982	15763.18323	20068.81433	15189.59223	16294.42891	14840.5417	16537.54299	18450.97542	17833.80194	12631.33889	15214.82293	13442.14673	16220.80253	21091.40103
0.64_478.8521m/z	478.852085	0.641183333	neg													4987.906628	4509.835828	4747.961627	4826.746296	4387.858848	4617.601331	5929.560932	3739.513101	4164.288009	3894.34843	5620.322622	2988.849024	3998.400866	5142.254506	5129.460248	5144.724031	4061.9467	4500.154205	3209.298787
0.64_480.9489n	525.9474717	0.641183333	neg													15889.91026	18372.28326	15029.05554	16887.78604	15696.35465	20621.07933	13915.00536	17287.62939	15993.20901	17540.59212	15505.61457	17814.69574	14208.59595	15754.97834	14477.39058	18210.45606	14956.00092	15415.01851	18176.1179
0.64_484.0176n	522.9807164	0.643516667	pos													22926.70667	26102.45787	21621.65035	27102.67741	22014.9025	21514.94813	25114.12808	19163.12347	15751.5149	22359.68607	27708.0578	19345.59147	26686.77045	22865.59521	25569.16454	27129.03727	23248.18316	28701.98539	22485.88277
0.64_486.9936m/z	486.9935633	0.641183333	neg													6698.597523	5633.249361	5301.435354	8132.474829	4662.132566	5703.193193	4382.433012	4522.82582	3999.426585	4818.939633	5123.459117	4903.211258	4456.476747	4890.031231	6835.613266	8034.720038	5625.331018	8465.761323	5439.468726
0.64_488.1241n	511.1133507	0.643516667	pos													16753.80425	15428.91306	18233.03622	21999.8787	17567.38158	11889.9933	14744.88538	11648.24112	8640.808239	12928.23365	14132.22058	21698.22232	25545.96015	13119.61935	24527.3564	24610.00964	16733.78152	19765.64405	23874.70518
0.64_490.0341m/z	490.0340885	0.643516667	pos													4696.91918	5508.954769	5726.166333	7028.378464	8453.857429	6789.172383	7428.083021	7137.068654	6534.3718	5365.829581	10786.01715	0.000297236	6047.188864	9312.14204	0.000297236	6422.584901	8645.92269	5905.000452	6647.38395
0.64_493.1411m/z	493.1410542	0.641183333	neg													3313.005615	3051.573403	2548.501465	2473.264914	2096.280185	2720.123327	2946.487153	1886.163144	1914.821285	2736.831223	1345.70667	2176.571123	2798.913466	3515.298152	2615.771593	2645.051272	2505.424173	3531.30736	4297.634584
0.64_495.1391m/z	495.1390641	0.643516667	pos													4732.962845	4380.835754	6155.657814	9063.176672	6207.970624	6137.850031	7247.62697	2616.111087	2208.648387	3075.005094	9472.436142	4096.747148	9387.273186	5327.597684	12263.24363	11850.24163	7972.427639	10506.55295	4338.520737
0.64_496.0689m/z	496.0688511	0.641183333	neg													3270.501047	4195.538734	2904.859253	4346.746736	3987.621204	4072.08979	4140.608249	1829.880916	1517.742976	3600.858321	4264.353735	2411.979523	2834.010711	3056.575996	3793.834055	5094.443188	3117.917399	3329.497569	4536.223206
0.64_497.0878n	520.0770493	0.643516667	pos													11529.66019	13197.39617	11609.52069	16284.60352	13267.13481	12278.43091	9959.276935	9128.157635	11505.15923	10394.72332	11398.49149	4259.804702	16070.80311	11992.01395	5303.152668	12773.16329	11584.40768	13777.27162	14147.9219
0.64_501.0094m/z	501.0094405	0.641183333	neg													37748.79975	38489.83272	33054.07298	44635.1867	32810.34623	38604.7011	39153.98404	20478.28704	26720.97934	31834.56059	36225.90968	24551.04365	35063.26306	35569.00666	37824.47755	44159.06784	36513.19756	48404.93885	34020.69872
0.64_502.1038m/z	502.1037557	0.641183333	neg													1303.499853	1488.171987	862.223259	1590.417164	2114.028479	1407.334734	1126.892755	800.3953326	1291.97214	1277.030505	1186.635804	1686.773152	970.3335216	802.4280202	1788.714035	1482.517155	1284.21976	1170.217993	1604.995838
0.64_502.9679m/z	502.9679005	0.641183333	neg													4723.608284	5886.930037	4670.92641	7503.973497	3813.238103	6041.317371	4272.812609	2874.590372	2596.199275	5112.094611	4749.593709	6953.460666	4877.01144	3389.742879	6451.870457	5830.528944	4096.39991	3515.481939	5468.118002
0.64_504.1032m/z	504.1031913	0.643516667	pos													4373.811998	4130.051708	3507.450298	6098.639362	4791.900782	4325.689481	4589.256452	1546.850246	2975.080488	2869.428239	7724.902695	1283.8748	9249.334292	3426.638069	2102.193613	6452.145389	4962.320039	7546.818209	3097.650444
0.64_508.0250n	546.9880281	0.643516667	pos													25359.39768	32994.41305	25664.50369	32860.23447	32432.95181	27385.63232	38036.37319	12701.26388	12198.54031	23750.44116	52755.97755	12355.74763	31805.34981	24443.72372	39781.13085	47990.20294	34338.84444	45341.01803	19502.17723
0.64_509.9731m/z	509.9731274	0.641183333	neg													11290.18214	16331.05233	11064.8316	21441.88111	10534.79857	18160.38762	12527.57651	13377.80683	14732.17967	10178.10347	14222.00228	18754.95106	11985.49251	11135.29016	16825.90076	13911.17935	12488.03952	19320.38941	10382.21652
0.64_513.0499n	512.0426638	0.641183333	neg													11957.78314	12756.82339	9487.356264	12616.69811	11975.61392	12361.29711	15767.52072	7438.994001	11139.21469	10764.92257	13170.90758	10972.96853	12553.25083	13267.02783	10749.66191	14237.18162	12706.4082	14970.62671	12034.45738
0.64_513.2265n	536.2156731	0.643516667	pos													8163.31717	12007.281	13712.82487	13316.56325	10826.58003	7012.006784	17510.00448	4499.312261	4056.14865	12188.90039	14281.22941	7718.025398	19461.36598	11640.77291	9648.921291	22523.24054	19652.06904	18089.37742	25686.28238
0.64_516.9832m/z	516.9832001	0.641183333	neg													35843.3658	37337.17731	31428.98956	40531.44493	34297.672	37864.36425	34461.19345	31128.34903	34186.34277	32375.99916	30031.3217	33397.1701	31913.96095	34519.23431	33889.82953	34915.51113	34097.31867	38222.03445	37965.7559
0.64_518.1316n	557.0946626	0.643516667	pos													27941.7753	29828.91947	32154.15373	30372.44765	39147.85764	33545.604	38769.562	32068.15621	37065.76881	32977.33281	31552.54744	29902.13752	31362.48405	26109.90437	28815.00788	26156.97468	27907.98099	34519.47441	31352.00137
0.64_526.9226m/z	526.9225764	0.643516667	pos													11092.65879	10812.86448	9506.830322	8661.858739	11286.00001	10793.17118	7890.245952	16940.6137	16035.18636	10830.64735	3053.329421	19438.71881	9680.309264	9289.989457	6997.332054	7648.72044	6787.14063	6443.899894	13481.57948
0.64_529.0156m/z	529.0155903	0.641183333	neg													14266.01607	12957.90026	12125.43835	14441.99716	13379.37875	14712.22896	15132.19333	9445.975215	8679.984221	13259.20738	16705.19793	9634.77799	12589.72397	14467.28424	13150.31006	15159.76231	14953.9931	17520.612	12576.94878
0.64_532.9573m/z	532.9573327	0.641183333	neg													14777.76775	19221.38552	15440.53957	17385.81391	16122.87515	18360.78228	16431.33619	21291.24329	21083.43437	20113.10871	9613.201351	26252.39557	13471.0679	17738.0046	15860.1044	14615.62472	14841.55646	12822.62666	20713.61474
0.64_536.8843m/z	536.8843217	0.641183333	neg													51103.42	54973.03498	47017.52016	63109.89116	50383.06087	59437.19676	67049.0743	25570.42925	26276.65748	41510.709	88176.88758	23647.19133	47694.83674	51669.99084	67959.46289	70043.31398	62182.66844	79559.57136	32516.95921
0.64_538.8837m/z	538.8836787	0.641183333	neg													4403.855483	3884.533028	3344.989094	5667.64939	5348.404867	5875.448192	5677.332543	1610.479723	1407.950516	3443.554312	7651.132627	1974.274293	3231.508295	4388.488278	4906.536835	4899.579855	5783.865698	5272.628244	2221.413614
0.64_539.9725n	562.9617193	0.643516667	pos													73484.06782	83002.8179	62346.73956	75003.43806	74383.34123	71550.39096	76062.64327	64557.48784	68810.95765	76538.11004	68816.13476	71335.27669	81348.66109	74568.15566	77365.21299	86118.60269	72249.64677	79111.27278	70417.2259
0.64_541.9217m/z	541.921712	0.641183333	neg													6116.321164	7159.804721	7156.656738	5897.395419	6203.638338	6149.316931	3204.717473	9030.651606	9740.88359	7118.397819	2944.527649	10010.28476	4641.982626	7318.029868	4322.465227	5920.884716	4693.091274	5035.976308	8098.497355
0.64_542.0863m/z	542.0862568	0.641183333	neg													8398.376276	7212.058584	6089.005551	8579.752305	5825.189474	6395.028	7320.538475	6090.013893	6598.843935	7033.09182	6194.305467	6581.4712	7614.331344	8224.90247	6121.901904	7756.283425	6960.573054	10072.83915	9675.007419
0.64_544.9896m/z	544.9895986	0.641183333	neg													18571.86165	15817.7629	16889.97061	17900.83447	16527.63299	18268.38075	17894.34215	15981.53781	12981.60085	15017.87082	16466.85362	14449.03985	16462.03999	17622.10034	14028.89838	16204.04235	13005.57914	18103.48728	18102.11374
0.64_548.9311m/z	548.931127	0.641183333	neg													3453.707799	3262.365544	3539.642137	2845.944999	3275.781618	3945.603152	3144.488922	5372.640346	4833.212722	5181.541498	2101.141824	6692.684168	2724.478422	3608.946605	2151.166366	1222.989762	1833.639491	2321.976545	4932.164658
0.64_548.9361n	593.9350161	0.641183333	neg													15475.43604	16735.48329	12505.46924	18529.44266	12768.43539	16024.51532	11699.6674	11374.40239	10990.70294	12579.63272	14439.04875	12124.13451	11735.4872	14580.3012	15469.18831	17402.90521	13193.58788	14231.07654	13411.17629
0.64_552.8584m/z	552.858408	0.641183333	neg													115529.7341	115454.3786	112713.7512	127061.7313	109901.5516	127885.5255	133655.3338	83712.92266	86999.33579	107127.3418	149895.9855	75061.48872	105305.9592	119296.1956	123891.6049	141296.1536	124129.676	138814.5303	87509.83171
0.64_553.0230m/z	553.0230135	0.641183333	neg													10095.97094	9906.200855	8482.351968	11329.58474	8723.77904	10740.54284	13558.16195	4723.995049	4489.88027	6883.296302	15554.3589	3573.299367	10424.64479	9085.45868	12255.09982	15118.75482	10189.35473	16205.16168	6261.115302
0.64_554.9810m/z	554.981037	0.641183333	neg													4122.592362	4215.871949	4230.602427	7466.450161	2294.324316	4362.001013	4955.842534	1179.67357	717.6155801	3271.250618	4955.763644	3141.666534	2847.332827	3189.780622	6563.881019	6123.927395	4072.127964	3227.556373	3954.330707
0.64_556.1110n	579.1002536	0.643516667	pos													16523.50196	20155.22301	12967.29199	23866.52325	18473.18818	16099.15244	12784.93977	9181.916519	10290.58716	11535.95832	18417.97024	18933.24878	21924.62714	12493.90266	26218.83728	24143.1896	17418.23904	22055.33566	26565.88454
0.64_562.8138m/z	562.8137829	0.641183333	neg													3567.058356	3314.251356	2071.887268	2430.73296	2488.842014	3012.294257	3812.179417	2418.166094	3178.771747	3167.876046	3022.06837	3291.956351	2298.513043	3524.611674	2983.820314	2967.788207	2998.377739	2730.1162	1989.25588
0.64_564.9093n	609.9088611	0.641183333	neg													12771.84202	11733.36894	10270.27436	9302.227025	12143.33837	15651.63908	8730.709365	14057.66307	11306.68885	11308.4011	7807.54825	13150.59443	11262.67582	10444.45258	9131.38124	10618.03576	10545.30451	9988.024823	12660.48523
0.64_565.0753n	588.0644975	0.643516667	pos													13629.94905	9915.23138	7690.724243	13542.1986	13656.68588	9191.935596	12237.74849	8753.526788	8741.291034	8586.678405	11448.35763	13198.28796	13631.07482	12951.19984	13897.3939	15965.89101	9491.4136	13822.64848	9784.366249
0.64_568.9968m/z	568.9968229	0.641183333	neg													25214.32037	29400.27382	23208.88021	34538.33252	26940.26911	32182.97751	33897.79834	13241.21297	14446.41592	20596.94816	33317.54017	14293.241	25491.44861	26204.47894	31937.4427	38936.41342	26593.19679	39291.89718	21877.81257
0.64_570.9552m/z	570.9551999	0.641183333	neg													5325.885653	5591.246315	5067.084473	8093.998325	4066.136406	8456.537176	5344.908261	3828.027055	4698.386063	4048.734007	3748.282403	8166.971261	3845.858441	4897.483607	8153.589578	7350.894904	4410.549814	7689.542377	3726.946269
0.64_577.9609m/z	577.9609304	0.641183333	neg													11847.06874	9832.582171	7297.740845	13559.79257	8662.442731	12812.86027	11667.85061	5658.733047	5404.766597	8051.563126	13662.51463	6073.294859	9539.833444	6444.117182	9663.556113	13438.26606	9805.764866	12991.6434	5430.376816
0.64_581.0374n	580.0301393	0.641183333	neg													8233.250152	11986.82145	8178.313963	8129.020046	7498.16146	10276.75551	9722.284883	5414.181433	6343.835596	7742.239122	7231.92008	5890.099185	10098.48762	9297.861876	8292.475898	12257.68462	6734.491879	10380.80942	7471.418224
0.64_584.9708m/z	584.9708229	0.641183333	neg													33785.85545	38266.22595	32982.09855	41473.03179	35608.35239	40089.96628	35819.61774	24584.8637	29734.97712	33020.18313	33289.9826	28081.10893	29837.10191	32200.04289	36808.52975	39750.01263	33924.94467	40056.88578	31638.07523
0.64_597.0033m/z	597.0032717	0.641183333	neg													10487.78042	9725.223626	7731.373	12409.04751	10771.84371	10882.83575	12649.10611	8906.355991	7175.508108	6939.045536	13219.04826	6168.116126	10136.37206	8806.49868	10297.89462	12760.94666	11376.71359	14443.51828	7102.879579
0.64_600.9449m/z	600.9448541	0.641183333	neg													22686.1714	26510.54521	21573.28106	26429.50739	24843.10704	30698.37962	23380.90839	23522.15813	26713.74191	25808.6585	18172.90175	29286.26515	19739.38695	24264.38021	22718.2512	20073.98435	21797.96724	21237.32154	30438.38237
0.64_604.8721m/z	604.87208	0.641183333	neg													31479.87872	30095.97046	29610.79651	40236.54375	31908.95155	35912.49985	45820.42005	13613.6825	13648.68442	24052.39419	58735.61439	12668.44768	28910.20808	30351.27778	47453.3498	48076.46815	38932.14297	50797.72034	18674.84805
0.64_607.9598n	646.9226416	0.643516667	pos													57717.89764	68187.22913	56136.15352	61915.53102	63328.64895	54182.1382	63477.12586	44851.03827	45133.6934	54120.58471	66241.07203	48359.02637	68836.83546	54099.72198	64737.82633	79066.29687	55479.70208	62651.70442	55490.39945
0.64_608.1241n	631.1132877	0.643516667	pos													34328.26189	42124.87535	43768.62636	41121.14557	39928.72093	48085.29387	42228.08632	49045.76724	30766.88164	41789.29293	43645.23451	34030.26934	34857.06796	29175.80403	30394.10835	33311.34329	38080.04449	35500.02007	40472.07588
0.64_610.0735m/z	610.0734535	0.641183333	neg													7593.314882	5506.304028	5223.563919	6591.833062	5863.564814	5285.873903	5379.129018	4857.521544	4673.611505	4464.906468	6251.139243	4937.710107	8225.175131	7068.812868	6173.319455	6993.881184	4537.4441	9127.518747	6503.910598
0.64_612.9769m/z	612.9768754	0.641183333	neg													15209.90328	14067.44246	15491.91438	15918.6768	19666.0264	16769.14785	14968.82853	11154.35335	11236.7317	12104.78951	15530.73661	10552.78049	13397.81803	19075.5341	12143.87172	14461.64744	15086.83402	16596.48444	13795.99669
0.64_614.9752m/z	614.9751891	0.643516667	pos													11451.67995	12828.34545	10775.21625	15128.22051	12083.21775	10278.37048	15439.19576	3091.860135	4175.101993	10378.92033	20618.10504	7507.815266	13747.54814	12587.82389	19387.43967	17039.13499	12087.59932	21746.70133	9920.374974
0.64_616.9187m/z	616.9187367	0.641183333	neg													7342.258454	6731.772673	7530.113364	8528.716988	7451.226881	9325.207913	5585.845466	11467.40633	12441.78838	10778.58096	3797.507745	12285.61995	7163.007233	5554.013969	5538.18621	7222.034481	5188.10757	3817.063217	10004.29538
0.64_617.0830m/z	617.083036	0.641183333	neg													4402.179081	4062.850904	3848.828491	4093.042263	3276.57883	5043.610002	5300.043642	2540.657802	2481.966968	2782.888638	2119.110527	4521.54384	4139.222515	3958.834165	4445.744345	4503.278981	1993.479956	4848.615058	4886.506064
0.64_620.8456m/z	620.8456263	0.641183333	neg													76175.71156	74430.14071	69516.53547	84438.1439	72057.1323	86036.81916	89652.16727	46987.22057	47764.4262	67748.2848	112480.2426	40571.32939	68821.50338	74030.04641	87968.17742	87907.55762	81851.2686	93615.43385	49146.48286
0.64_621.0103m/z	621.0102684	0.641183333	neg													4739.521583	6211.469915	4092.516235	6343.385016	3849.706824	6996.636152	7071.631213	1676.617947	1424.938755	3065.326359	9056.799091	2049.546722	4625.542698	5900.991308	6918.679259	7559.7287	4442.328552	10096.92305	2857.27017
0.64_623.9334n	662.8968608	0.643516667	pos													21048.3105	28070.92601	22687.80792	22642.5921	31175.29202	27020.07801	24225.81924	29045.03713	34603.2253	29233.2028	17512.25569	38056.2727	22372.61268	21267.09364	23496.5317	20289.21324	21819.30203	21856.23899	33607.55025
0.64_625.8828m/z	625.8828216	0.641183333	neg													3077.009245	2646.675217	2866.477051	2820.744201	3959.323987	2446.844432	2495.924135	6020.658481	7815.784522	3044.180514	1860.249032	6081.882011	1997.104166	2987.989099	2382.605981	2812.718282	2793.381758	878.8618006	4225.749426
0.64_636.9843m/z	636.9843263	0.641183333	neg													16851.33969	20228.22415	14470.23596	25884.3779	13934.8772	21074.53303	23515.1726	7120.095072	8060.219631	12001.5407	23774.61145	9035.889692	17119.36579	16846.0634	24274.36832	25193.94383	21847.40919	27506.83579	13472.7635
0.64_645.9485m/z	645.9485027	0.641183333	neg													7276.974567	7172.961442	4696.05191	8200.301862	5655.642111	7197.441549	8840.76286	3114.703868	4882.925996	5108.224908	8198.757309	3399.330079	4780.387241	6653.79146	6713.55504	9042.172269	6851.701871	11145.21116	4233.989285
0.64_652.9584m/z	652.9583758	0.641183333	neg													25901.64861	33239.56428	25091.30127	36989.57797	31465.38254	37749.03908	36039.82175	17310.04815	19359.30212	26716.1056	30828.36599	20238.0718	26952.9064	26691.08621	30661.33296	36886.00295	30152.39727	39115.01984	25502.42806
0.64_659.9733n	698.9359275	0.643516667	pos													21101.46786	24201.80147	17278.74564	20597.01828	19571.09528	16377.36482	26669.10191	11376.96921	9014.821282	18059.97879	33009.77353	9712.296702	24029.81035	17317.3001	26321.17871	33426.83267	30326.99993	32994.52802	14032.08003
0.64_661.9226m/z	661.922598	0.641183333	neg													10998.29402	14865.07515	10644.6048	11580.09802	12779.23651	14967.40454	9557.284243	7644.813461	9473.176551	10074.65486	11069.37095	13953.53112	10074.30934	9554.193131	10557.59679	14281.67044	12610.42759	12205.04737	9016.232466
0.64_662.8261m/z	662.8261348	0.641183333	neg													2777.226967	3374.760137	2041.741577	4536.901975	3179.255731	4041.117768	5935.260217	983.8174319	723.5803656	590.633557	6765.543895	0.000297236	1726.882241	1448.188592	2903.909736	4176.955289	2478.210814	2881.458267	1395.249518
0.64_663.0610m/z	663.0609613	0.643516667	pos													10742.76078	8588.059708	6050.878418	11001.19755	9302.649865	4882.65106	7600.359688	5513.468611	7394.973174	8588.594755	9354.474386	11034.38131	11835.67339	9142.853374	14472.51852	13179.93523	10482.63918	12160.40344	10478.22546
0.64_664.9908m/z	664.9907968	0.641183333	neg													6122.680822	5934.137498	5394.999771	6118.691507	6251.919869	5803.013106	5552.496729	1476.018497	1164.261623	4502.674279	8832.549623	1681.184455	5603.366974	5722.92668	6578.057419	6452.883202	5881.846627	9476.864665	3610.212537
0.64_668.9322m/z	668.9322237	0.641183333	neg													24418.91785	30133.5322	26823.51398	29252.08591	26748.51921	31335.40223	26119.18622	22697.08295	24183.15657	27751.25276	21966.9355	26643.62361	25648.59314	22098.88236	25984.67671	26204.325	24686.8804	27082.43648	28391.25461
0.64_672.8594m/z	672.8594185	0.641183333	neg													11980.32474	15283.53963	10409.2583	15760.06275	13455.06804	15139.99645	19020.03325	5482.516354	4131.052652	10581.48081	32330.11267	4646.163594	11902.18363	11753.58614	17813.50908	20769.66997	16872.3924	23716.07535	6627.166308
0.64_677.8957m/z	677.8957399	0.641183333	neg													8694.166792	9179.498306	7763.505528	12172.18825	13542.07193	14196.44581	9370.783525	9417.542339	14776.04307	9580.6709	9783.644077	10660.98719	9056.170756	8501.948839	7735.847573	8963.187271	6796.626103	10012.09626	9834.73138
0.64_678.0609m/z	678.0608598	0.641183333	neg													4907.505574	4748.358146	4653.643417	5027.882364	3154.859911	4204.582602	5528.403812	2283.643285	2484.755142	4127.353924	3446.159578	2024.068221	4923.349601	4638.477412	2829.270775	3818.108486	3843.948644	6576.25323	4263.898816
0.64_680.9645m/z	680.9644538	0.641183333	neg													12449.6409	10725.43544	8654.842955	14002.02874	12327.63506	12508.04676	12243.52915	5210.339991	5764.195755	10858.26218	16469.66271	5674.188195	9516.373667	11964.22299	10448.88062	10871.2499	12269.94854	13230.55196	7647.212654
0.64_684.9056m/z	684.9055744	0.641183333	neg													12165.61669	15494.63401	12207.49974	12741.54235	16245.34166	17567.68125	11785.29775	17608.27557	17485.22203	15512.91246	8572.352085	20822.0492	10141.39618	12784.77504	9125.775835	9672.372143	12453.53406	10750.52282	17687.28026
0.64_685.0704m/z	685.0704489	0.641183333	neg													5206.220343	4845.881208	3923.430801	5086.761803	2536.534081	5342.738978	5300.963393	3435.105478	4296.183224	3053.701541	3391.002757	3696.675798	5460.875606	3609.154047	3927.835931	4558.804855	3858.750348	6269.786632	6136.876229
0.64_688.8330m/z	688.8330188	0.641183333	neg													38096.62321	42517.1333	38722.09383	49784.62577	41312.23696	45753.99605	55239.74851	17253.88396	20780.40261	35883.79353	69628.37246	15648.68865	33543.93712	41975.34928	52476.23761	55971.39501	43140.86979	58084.61941	23387.75788
0.64_691.9209n	714.9101167	0.643516667	pos													28372.12823	36110.17045	30912.31532	30620.36651	31933.07359	27337.53187	32361.26025	24628.95582	26343.88618	33763.04144	27126.49195	21667.65548	36183.14362	29197.84795	28659.40723	34733.81275	32407.25031	26750.03405	29614.21766
0.64_696.9385m/z	696.9384571	0.641183333	neg													12544.5179	9806.640319	10432.44629	11038.82617	10904.77641	12393.54417	10479.63854	11742.34294	9323.94999	9035.991669	10312.93843	10347.92284	12169.33817	13899.76665	8582.334346	10884.63995	7779.446417	12411.53907	10783.96588
0.64_697.8176n	678.7997818	0.641183333	neg													8694.715314	9177.463637	8577.053822	10025.92295	6642.466807	8885.905661	12606.78115	6663.947175	3849.182284	6631.662876	10991.17802	4499.02521	4752.442674	4352.377741	8560.055334	6776.114932	8756.397432	7501.853845	1796.095923
0.64_700.8794m/z	700.8793814	0.641183333	neg													2574.981463	2923.667329	3694.42804	2109.85559	4120.04749	4321.823597	2003.590003	4193.858299	6810.905419	3978.356064	1766.22306	6525.290155	3849.223884	3822.567994	2478.27217	2522.624051	4526.566711	1438.41303	5196.309024
0.64_704.9718m/z	704.9717956	0.641183333	neg													10080.88131	13595.23883	10392.07373	11995.2311	8980.18679	12095.34795	16561.72628	3530.07687	3928.347693	5954.568546	17008.32972	4183.976805	11549.94252	9673.640466	13203.63247	16366.96971	12655.07872	17732.01075	6982.263843
0.64_707.8993m/z	707.8992888	0.643516667	pos													5958.511082	6052.074705	5605.325439	6792.365985	5302.680642	5743.058268	6330.564177	3553.601339	3228.558028	4468.896899	6907.259378	2425.932571	4444.711752	5582.230167	9333.837397	9564.733927	6377.526833	8754.819934	3060.743147
0.64_720.9455m/z	720.9454962	0.641183333	neg													25008.2674	23848.62857	18094.76038	28603.28369	21318.13803	25002.34552	29002.80632	9142.709071	11857.32445	20924.46559	25753.72199	12707.32281	20559.45753	19164.39736	23162.42723	25694.33819	24087.71231	31074.91402	17148.6971
0.64_731.8117n	712.7938255	0.641183333	neg													8845.088927	12799.75065	8939.737055	10358.62748	6237.35488	11508.59469	13603.32788	2967.095524	4344.161558	6805.548898	14264.70825	4170.683084	5528.378295	3799.1172	15256.97685	11096.45896	11613.95272	7569.847446	0.000297236
0.64_732.9780m/z	732.9780326	0.641183333	neg													1479.99764	2229.188277	1623.705933	3263.473053	2770.160487	1211.115977	3175.303922	1095.826304	0.000297236	816.4260125	4154.085844	523.553581	3136.354981	1219.386205	943.7317392	3500.67451	2970.473359	2833.073866	2160.452031
0.64_736.9198m/z	736.9197526	0.641183333	neg													22624.17551	28779.7858	23669.93791	29159.66687	28201.60211	31827.88235	27201.75286	19010.00407	21040.36804	25890.14703	21243.10713	19448.67617	21905.87618	23887.89621	24843.53032	25927.51104	24360.85312	26193.91381	23241.53873
0.64_737.0845m/z	737.0845023	0.641183333	neg													3778.34026	4371.196702	3362.365155	4390.075116	2123.775861	3641.63604	4769.922806	1193.869365	1768.917934	2753.469408	4408.468883	1372.893579	3448.9281	2622.467428	5503.321144	5233.744302	3000.215904	8348.680429	3367.061012
0.64_745.8839m/z	745.8838701	0.641183333	neg													7898.644221	10650.32941	10074.58737	11005.07387	9964.207366	10191.21393	10207.81397	7240.286435	9872.219374	8566.869002	11566.76531	7569.013437	8124.480461	8878.807819	8251.843356	9423.224526	9905.659846	9681.990511	7763.888422
0.64_752.8932m/z	752.8932415	0.641183333	neg													14712.82635	19319.51308	16520.26409	17529.94951	14075.39871	17511.58086	18547.06557	18373.78578	20476.62475	21092.41874	12629.79255	22637.62565	12350.79075	13586.5396	14161.56224	15977.92229	12770.67661	10489.77843	23292.55641
0.64_753.0578m/z	753.0577605	0.641183333	neg													4025.380668	4016.4867	4359.577515	5068.021551	4400.422492	4146.941285	5328.309966	2722.5134	2590.288321	3665.986514	3142.00093	2400.250602	4462.370747	4025.175579	4136.016638	6819.543514	2582.220186	6843.863366	4923.557074
0.64_756.8203m/z	756.8203125	0.641183333	neg													19206.99537	24289.99959	18739.95128	31570.70824	23015.16676	23954.05896	31274.86529	7505.150998	9299.287771	16289.78173	38226.67091	3651.811252	17157.86096	21209.07456	26385.38009	26329.08645	28128.74246	33030.02988	10355.18694
0.64_764.9252m/z	764.9252378	0.641183333	neg													6350.631808	5494.048699	7023.789795	7883.865321	7230.466945	7109.358364	4496.968626	3713.893045	3583.69311	6857.152702	7466.233186	6256.911063	6897.206792	7438.583474	6344.809959	5923.45155	7058.072058	5022.775884	7513.264644
0.64_768.8663m/z	768.8663433	0.641183333	neg													5793.599387	8014.979902	8125.782377	7208.631452	7040.140342	8223.573756	7816.367144	12729.4092	13791.99274	11026.92351	3650.517088	11969.47017	5342.800439	8741.674437	3723.88243	6081.545529	5394.83151	7552.816452	11101.47218
0.64_769.0314m/z	769.0314118	0.641183333	neg													4138.30338	4309.897531	2415.392029	3766.349066	2519.667082	3897.210674	3802.273134	1630.405697	3142.856709	2939.390192	1844.821331	3490.01372	3480.1963	3070.845439	3279.077726	2225.262054	2220.606062	2946.365522	3328.933256
0.64_772.7944m/z	772.7943671	0.641183333	neg													39177.48858	48476.55948	39510.23943	49661.01539	45479.35924	47181.09299	60760.21644	25940.82819	29756.88161	39064.52195	64547.27288	25209.57933	36492.28947	38412.21512	48574.88284	58643.18766	50030.58581	58142.6322	25604.89565
0.64_777.8299m/z	777.8298816	0.641183333	neg													3854.680586	4902.848875	2945.466681	0.000297236	2960.63725	992.7074462	1512.069974	5903.796115	7105.682603	5275.982263	0.000297236	4334.832695	1988.040146	1028.258183	1417.127395	1075.509165	1121.483842	1014.851978	1766.326955
0.64_782.8976m/z	782.8975948	0.643516667	pos													13209.09798	14667.06077	12369.64706	9295.682028	12749.43397	11096.39073	12937.0983	7312.14038	8035.835682	11595.81785	12499.47759	6295.216327	8043.237839	14413.09132	12185.35946	16246.07594	9768.851307	14831.0022	11325.09507
0.64_788.9332m/z	788.9332409	0.641183333	neg													12263.51865	15387.12905	10514.32503	16149.30617	13373.33549	14926.87404	14959.89491	4752.370033	5513.104356	12259.29184	16350.98361	5483.068485	12210.12356	11499.58772	16262.61154	20497.88947	12846.46575	16171.21553	5894.405342
0.64_804.9069m/z	804.906871	0.641183333	neg													18332.06782	20609.41496	16579.66979	21362.99103	23806.8257	19251.23082	20278.16801	11357.18359	12953.77191	20185.05996	21875.62532	10744.4861	15214.28613	14677.62692	23792.52729	21376.0395	18973.65126	20901.91805	14389.07827
0.64_805.0714m/z	805.0714016	0.641183333	neg													1896.206889	1857.266257	2539.480272	2878.252349	2345.188119	2974.941369	4106.898556	596.5780292	1042.385446	979.0262531	2730.298734	1468.716021	1532.692149	2168.481207	2316.608876	3166.1731	1548.532577	3200.360876	2062.479023
0.64_813.8701m/z	813.8700592	0.641183333	neg													7272.790013	6294.09121	4813.368198	9675.217273	2517.506695	7105.210646	6679.05359	3461.354757	5597.377353	9479.138629	6407.386941	6752.191696	4387.728554	4408.673473	5549.344789	7800.284271	4098.870978	7994.682687	4338.908692
0.64_820.8811m/z	820.8811035	0.641183333	neg													14456.64491	18243.27377	15147.17538	18249.45054	14532.53849	19904.60293	15968.00901	14424.93527	15805.91913	16433.71982	10701.06038	16473.32235	15020.51443	12035.16129	17192.00212	14780.46267	14211.70153	12656.95473	17944.27342
0.64_821.0457m/z	821.0456537	0.641183333	neg													2817.671678	3165.609273	3385.953827	5771.719297	2494.656709	3268.239882	4079.115428	600.7989735	1903.098177	2822.797188	3422.108723	1322.300397	3368.84093	3319.34132	5396.656101	5431.544222	3524.601617	5727.750013	3404.622872
0.64_829.8441m/z	829.8441312	0.641183333	neg													8075.78587	8244.83035	7992.193542	6512.701323	4175.924179	9184.74601	5183.380002	8968.492374	3647.645492	9001.485241	6113.091853	4359.605846	4987.988847	4095.518845	7079.458011	8189.071883	7001.847743	6737.360633	6121.551882
0.64_836.8540m/z	836.85402	0.641183333	neg													6360.793819	9110.125447	7948.666012	7760.959979	7860.515525	8903.70384	4458.962031	9251.1401	11064.26655	8869.306005	5131.148088	10741.72846	5338.813961	8896.434194	5369.311646	6990.296635	7207.14658	4010.364147	7456.341776
0.64_839.7341m/z	839.7341454	0.641183333	neg													2257.469398	2170.820082	2798.542828	1963.643139	4230.064038	1671.911527	1813.811118	3689.082618	2626.868169	962.9533744	2166.545412	0.000297236	1986.60371	0.000297236	0.000297236	1768.624547	1624.474963	0.000297236	0.000297236
0.64_840.7815m/z	840.7814831	0.641183333	neg													20735.94099	23825.69451	19477.39152	24259.44035	19147.65531	22851.12492	23110.95115	6763.668767	9086.731325	17377.46103	37137.87986	7750.210339	15008.11306	21023.27194	26684.05455	28269.49597	22606.04898	29168.84365	9435.270626
0.64_852.8268m/z	852.8267727	0.641183333	neg													4183.747859	2990.819563	2898.200537	3223.514697	6691.807843	3427.378731	4754.723729	4473.846996	4167.431089	4587.396245	949.5103545	5196.010407	1411.645322	3426.717568	2319.838502	3413.099216	2184.456726	1667.654969	4410.887178
0.64_856.7557m/z	856.7557194	0.641183333	neg													29112.34405	35937.52241	26007.8886	36508.87783	33624.14451	35067.92092	29407.05508	25780.37465	26132.98674	33449.10421	42835.682	19952.07697	26293.02511	28993.05897	36897.65955	37920.26596	34326.33629	38558.73088	24760.91719
0.64_872.8942m/z	872.8942244	0.641183333	neg													11053.44552	11851.27085	9209.363792	17191.3872	11031.58881	11876.99749	12680.38596	6104.951723	6051.030251	11798.1447	14378.96082	7156.567498	7838.344152	11628.84868	10967.83757	14167.05124	13667.95958	17605.02896	9705.62562
0.64_888.8682m/z	888.8681749	0.641183333	neg													8667.902076	13089.2021	11195.29376	9525.165122	10923.12481	9309.493956	11955.16718	6940.804591	10621.03809	13242.19463	8053.273209	15129.46449	12130.48655	12746.22315	14291.07112	12027.96426	11509.97386	10192.45035	15024.11594
0.64_904.8420m/z	904.8419825	0.641183333	neg													7158.454309	9322.864911	7063.51057	7246.172892	6405.102984	7134.699943	4581.361007	4196.908124	5226.013154	7538.252841	5176.311595	9502.937801	6951.880866	4899.642209	3686.09647	6604.670743	8003.85037	4262.464597	8798.600409
0.64_940.8800m/z	940.8799728	0.641183333	neg													3754.037754	5136.493803	4239.09668	6104.230606	4348.248873	2875.19566	5391.773731	1327.030427	1464.974137	3924.151935	4354.801768	754.3055055	5108.712589	2364.292297	6864.021204	5805.184435	6984.884328	5410.991502	3592.038515
0.64_956.8552m/z	956.8551982	0.641183333	neg													6046.371617	5891.396821	4365.279768	8202.480571	4310.086859	7902.861776	7777.927138	3954.765961	2542.008521	5145.273598	5075.166072	4461.294814	5193.291229	6142.337896	7871.728062	9007.428862	6772.048541	7232.626074	7391.152598
0.66_1008.7051m/z	1008.705134	0.658766667	neg													5239.225547	6929.989045	5196.31604	8897.405208	6843.206455	10431.9142	8867.249697	2701.708157	4023.161534	6251.361884	7904.782483	2040.451801	6062.260218	8789.650811	7069.332302	6903.872699	7145.038341	6661.266702	3862.463764
0.66_108.9490m/z	108.949042	0.660716667	pos													677.1736111	804.160715	686.7922997	528.6382105	721.9956479	648.3119597	806.8345695	606.166722	616.1583403	651.4510446	734.6177373	448.6830376	806.3252167	564.3862588	689.4173303	881.3674629	754.749561	620.9677742	719.1731562
0.66_110.0709m/z	110.0708848	0.658766667	neg													698.7907039	455.7536782	647.4826799	437.3822155	428.592672	516.1429235	508.6077283	282.1517445	232.2604825	500.730322	486.1481383	485.9821038	605.2752578	673.6724273	383.6061256	407.2073134	433.1315039	326.0280445	769.6006729
0.66_111.0531m/z	111.0531139	0.660716667	pos													2157.404588	3408.992397	2912.331528	3819.489969	3391.80134	3852.037196	4097.148507	1512.591753	2953.10456	3357.211751	4418.644646	647.5585404	4021.889804	1983.603444	1693.474057	2822.213264	3837.101225	3146.878322	2119.938003
0.66_112.9841m/z	112.9841189	0.658766667	neg													215763.4606	244301.8651	231552.8865	269291.0319	240133.246	248542.6596	271482.7613	206852.4457	219220.8441	242597.5484	282359.3213	202416.6568	229628.4882	236505.2138	247246.8075	264016.0127	250636.3172	254358.8867	207294.2212
0.66_113.9793m/z	113.9793219	0.658766667	neg													546.6065605	576.2799583	575.5152187	800.364775	545.6955609	488.0396382	576.2097674	570.0688281	453.2524561	567.8454328	710.044374	625.4161357	651.3504399	776.1393405	805.9367671	769.0940823	814.6793507	787.1515743	616.41967
0.66_124.9228m/z	124.9227642	0.660716667	pos													17733.16079	18970.90359	17650.98967	17141.06177	17537.66524	18009.3677	16062.84935	23355.11912	24513.71845	18925.6641	14061.79371	24826.91485	19655.87242	17568.3301	17210.14472	17792.74472	17243.63414	15433.61659	16635.62998
0.66_128.9582m/z	128.9581901	0.658766667	neg													65142.42474	75143.15487	68467.83252	77900.69437	71555.43504	76265.4697	73445.29333	81045.43464	91674.01728	79315.53072	64610.36588	83737.98674	62027.72999	65260.71866	63903.62391	64801.86939	68271.41705	61238.75895	68435.3163
0.66_130.9563m/z	130.9562869	0.658766667	neg													4101.455272	5502.889882	4902.625549	5352.950687	5597.135932	5758.662283	5142.758226	5238.418864	6463.128048	5957.755815	4253.524948	6112.522535	4487.120753	4678.010192	4952.694487	4640.304022	4787.743364	4116.649709	4957.047145
0.66_143.1059n	144.1132118	0.660716667	pos													26029.97833	39162.21143	33787.92716	30393.60889	14323.19187	64901.609	10701.20095	23894.97715	25253.75088	19255.58295	15717.74389	30048.55918	30532.4321	18880.28383	24522.29712	26764.63477	35539.44188	46688.1008	53056.56977
0.66_145.1165m/z	145.116519	0.660716667	pos													947.9341174	1494.191249	1507.604912	1012.865558	414.8464105	2799.411537	188.1381976	1075.923769	732.9942935	787.7097538	486.8970529	1190.82359	1108.574421	660.188595	937.3415212	644.0023654	1558.654262	2187.998239	2175.528018
0.66_164.9464m/z	164.9464056	0.658766667	neg													2780.225812	3024.284361	3236.958258	2508.71887	2630.94955	2173.642421	2663.190279	3142.664773	3430.631134	2664.529561	2531.808444	2620.998202	2605.8304	2806.65274	2898.397717	2232.885535	2740.60646	1551.655222	3001.666044
0.66_167.9227n	190.9118784	0.660716667	pos													132276.4294	138403.178	130051.3381	125090.7596	127472.4374	126986.1234	111748.9234	169572.119	179414.2069	137454.1507	98312.1083	177665.1725	135804.4719	122180.9826	126441.1985	134334.1094	117842.2521	117997.2231	122163.6804
0.66_169.9209n	192.9100755	0.660716667	pos													20860.76379	23687.79918	21465.24631	21554.3994	21719.14111	21874.31616	19320.10756	24572.47058	32173.50563	22993.88975	15100.82394	22507.27436	21241.28497	20076.2768	16902.62249	23304.14727	19413.29336	17701.08823	18464.98755
0.66_173.1033m/z	173.1032626	0.658766667	neg													65462.52989	67421.40276	69689.68789	79269.53308	72547.41155	64975.37944	67531.50782	60894.10532	55156.93575	66282.51262	68975.30463	66109.33497	74778.62944	68662.40194	65791.20812	63457.95275	72530.99439	72080.04789	84524.33147
0.66_174.1066m/z	174.1065573	0.658766667	neg													4199.359596	4073.346615	4462.326856	5118.794854	4578.839232	3726.701667	3894.003775	3858.064106	3643.046592	3969.51859	4827.287384	4065.758459	4964.752181	4657.548869	4076.74453	4008.504405	4144.184632	4003.509787	5356.276122
0.66_174.9382m/z	174.9382044	0.660716667	pos													43204.11222	45977.77086	43523.48901	44958.68181	41133.66879	40845.99153	46154.77277	34791.71322	37639.35088	40147.39632	47099.18403	33870.70023	47613.80538	43238.57193	47653.03103	53054.16197	48342.08906	50608.21521	34164.53958
0.66_192.1076m/z	192.1075601	0.660716667	pos													446.15915	602.290443	420.6600952	0.000297236	432.4214154	445.5119599	565.0234599	478.1849885	263.4003342	0.000297236	717.0171828	0.000297236	596.8689836	238.1688528	0.000297236	254.2190251	353.8149271	622.029327	0.000297236
0.66_196.0936n	235.0566607	0.660716667	pos													226543.3676	230799.5145	215366.8955	237455.3138	228666.347	203016.1287	223754.7542	195517.7595	175952.8168	203265.3805	237141.3995	250385.4603	233828.0171	238353.6117	242052.0962	263872.3667	244843.1368	267816.1552	219827.7971
0.66_196.9461m/z	196.9461076	0.658766667	neg													30833.09735	33578.40155	33376.29536	35092.93572	33496.50208	33167.31318	35283.46274	35119.66547	39146.10792	36369.43127	32782.70618	32840.8547	31092.3674	31270.04883	30296.31103	32377.7044	31671.77104	32248.43361	28559.69525
0.66_203.9622n	242.9253432	0.660716667	pos													350560.6544	374506.6679	341401.9776	389783.401	341555.1716	332639.3014	405920.1935	242393.4584	236881.5107	300939.3118	466754.0542	231928.1817	380446.9525	348137.5671	443946.3541	474117.8578	415968.0241	470923.3201	255893.691
0.66_212.9202m/z	212.9201693	0.658766667	neg													6659.520915	7330.911075	7081.488205	8052.92406	7423.497301	7641.362419	7485.966373	9715.363058	12457.65574	8765.245312	5168.528232	11133.07912	6156.98481	6270.057013	6374.215402	6253.618974	6294.119487	5635.632936	6681.046006
0.66_214.0780m/z	214.078038	0.660716667	pos													10803.65327	9672.010884	10850.57892	10051.4731	9975.73182	9526.209954	10519.88726	10867.68824	10631.75749	10455.21245	9734.215301	12634.93637	10782.2786	10415.45596	9790.687004	10231.28268	12422.4866	7582.653229	11927.51083
0.66_221.9343n	260.8973512	0.660716667	pos													63503.82235	67862.84165	60676.45856	64158.79993	60726.03754	60417.19886	64408.54213	59164.28947	58320.13698	59210.40251	63892.63704	57457.0968	65193.68768	61953.88425	69869.74046	76210.52553	64865.33187	67964.46513	51474.13951
0.66_225.9020n	264.8651089	0.660716667	pos													49515.366	46561.08472	43319.51428	57082.99515	44018.53642	46278.20146	47632.24871	38445.45445	37794.31247	44372.82348	49509.81406	36877.9023	61732.25421	47203.95908	63830.9165	53437.36748	51686.68068	59592.51779	46580.79695
0.66_232.9440m/z	232.943965	0.658766667	neg													22261.6403	23649.69689	25566.34081	28920.74852	21281.73468	25196.26424	28470.35778	13892.95165	14053.68318	21910.694	32290.91138	15194.00318	23552.06955	24953.86455	27700.05433	24762.76603	27312.26029	28424.52189	21656.34242
0.66_235.9100n	258.8992625	0.660716667	pos													517990.7194	533541.3664	495838.5808	494859.308	498072.8149	491894.7213	474037.8539	597483.8544	636486.6229	545589.4774	431047.454	619685.5843	533521.0266	462679.0041	520953.7238	549033.8873	490390.2247	473595.1487	455655.088
0.66_241.0914m/z	241.0914271	0.658766667	neg													66353.96302	68067.27732	66567.4091	74206.7329	70036.88281	64379.70307	69322.68148	56004.36835	52769.32057	59747.94982	70838.86491	55162.49814	75467.27042	67941.63108	64479.52418	72595.74302	71249.95189	75113.71756	76717.13828
0.66_253.8820n	276.8712446	0.660716667	pos													68373.48562	70306.06401	62252.25527	61058.40647	64262.8406	65093.20011	54106.02102	101139.7475	122033.7522	80581.02068	46704.45102	112702.5681	70401.51681	60248.38302	59449.81133	67021.78052	59297.35146	53642.57458	65168.05926
0.66_254.9262m/z	254.9262059	0.658766667	neg													11744.63287	11159.21106	11272.51721	12957.93547	8799.329657	10654.12438	13120.90767	6338.339768	5713.02979	9802.007872	16039.19649	5139.425203	12227.46859	11052.29049	12420.23381	12737.73538	12079.40008	15465.14809	9922.156417
0.66_264.8923m/z	264.8923478	0.658766667	neg													8784.694642	11319.91329	10041.59225	12946.2766	12147.08773	15346.23019	11599.22133	10469.99441	13386.08708	12842.17626	9140.855543	16083.25455	8084.688206	9352.290948	10866.32172	8535.490387	12085.6023	7819.257011	10883.37664
0.66_264.9343m/z	264.9342972	0.658766667	neg													184770.1175	188466.8836	190131.2258	201771.5021	189867.4083	194815.9141	209978.5411	181046.7254	189850.2272	191778.5794	208079.6056	159237.9043	185696.1602	187865.7107	189360.5289	201174.6984	192019.1977	197412.427	161629.1741
0.66_271.9076n	316.9057809	0.658766667	neg													55761.60738	62316.40935	49183.01575	70601.23379	48910.92911	64729.06756	75128.55676	35150.83668	43254.63108	50117.97354	59640.61714	39657.19784	49982.80316	50800.42866	64903.06208	63617.64657	58838.24445	68456.78828	47145.47599
0.66_271.9496n	310.9126766	0.660716667	pos													117853.0383	131153.3645	121412.3656	136474.3957	120000.7383	114102.0023	146192.2541	76244.24318	74292.69298	105936.0302	175038.4135	75012.55634	126248.2527	120025.9014	163644.8209	170922.0641	141963.4792	168114.6925	82422.35919
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0.66_329.1352n	352.1244129	0.660716667	pos													11182.62931	11669.15928	11490.81789	9013.541875	10624.68812	14054.57528	11397.54796	23312.37322	22614.5036	14443.7143	11247.92926	13246.14379	9825.579878	11890.68256	11741.86951	9554.206759	12063.70148	8771.569361	6379.807547
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0.66_455.8465n	478.8357154	0.660716667	pos													212826.1097	241401.9662	221409.6031	204195.5963	202948.0754	218897.4519	212402.8214	246025.6936	280618.4502	244584.2104	189312.7281	242171.3135	217677.1635	192216.7337	208545.0773	234325.1986	205696.7656	187172.8979	183355.4866
0.66_464.8046m/z	464.8046095	0.658766667	neg													3352.103368	4057.104537	3155.097795	2122.081018	2862.658757	3433.31794	2513.021287	9282.155386	11764.92198	5168.077396	675.4531249	8109.966936	2281.691068	3877.494855	835.7575601	1854.72924	1931.237797	1053.496297	3908.3069
0.66_473.8185n	496.8077369	0.660716667	pos													40806.71302	45129.66976	44778.50437	34486.48419	36469.40292	39060.55215	31792.51665	63653.49999	78301.69683	53328.69877	22031.13319	65047.81652	43512.08444	34885.59712	37233.85792	41171.10173	37953.1648	30415.0011	40168.40588
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0.66_480.8339m/z	480.833855	0.660716667	pos													30574.87684	29772.35713	25185.2169	28894.44664	26905.43571	27266.15463	28285.51974	27719.76428	28041.97371	27191.87572	29121.2047	27716.37336	27705.30553	23380.44721	27381.63688	30487.49299	25760.98844	26273.72061	20817.15954
0.66_480.9492n	503.9384307	0.660716667	pos													26875.90235	28182.95228	25551.0746	27617.89232	28935.70963	25111.51963	25633.06071	26782.65928	35362.18083	30107.73192	24571.70615	26510.6052	28734.22889	27202.09636	24604.127	23274.83976	24370.4905	26863.32552	27832.95085
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0.66_486.8688m/z	486.8688351	0.658766667	neg													20212.26005	21226.08232	20040.62407	22257.90927	19773.01888	22185.00259	22371.88557	18218.65526	15535.6205	21059.03361	23439.70106	14635.5512	18504.27275	21840.02116	22441.28651	23358.24777	23998.35749	21013.56444	14134.02895
0.66_487.7945n	510.7837566	0.660716667	pos													46785.68631	55977.10294	49561.2445	37975.22089	41015.72895	50727.00369	32765.98172	100854.9928	118171.4795	71028.10138	23831.88287	94461.6798	45823.25836	40561.65	39508.44377	43994.38953	34380.88042	28014.05839	55113.01903
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0.66_491.8861n	530.8492732	0.660716667	pos													85367.28714	99170.34584	97557.40552	99344.61143	90184.24871	87098.77388	119196.4261	56053.86938	53920.65938	80207.17867	145289.9295	49561.71306	91523.87312	89278.09755	119887.9598	129308.9027	107859.0798	128304.4509	56373.28068
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0.66_500.8448m/z	500.8448215	0.658766667	neg													125340.3631	125874.6093	115214.0253	115379.4743	115568.4766	131381.9202	126144.3328	147785.5293	152846.9736	133167.9662	104754.6055	120971.6605	108050.9044	127326.2975	102668.5072	118953.7985	104029.3596	107839.213	105719.8296
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0.66_524.7832m/z	524.7832143	0.658766667	neg													4732.996385	4412.881277	3020.573893	3334.997496	2122.743076	5619.823208	5102.273433	6410.382228	7937.755066	2721.6113	1026.597306	4855.164888	2649.431629	2347.468509	4058.760276	4398.030372	1482.693926	2684.138728	4400.613948
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0.66_538.9547m/z	538.954748	0.660716667	pos													12428.80179	11370.62891	14340.47236	11633.0641	14273.68169	10704.98779	12808.96943	13876.21174	14921.0691	14142.94826	8347.97285	8857.267409	12426.33013	10195.774	8853.082664	9781.339331	11538.58286	8042.580794	16630.33333
0.66_546.8231m/z	546.823118	0.660716667	pos													78432.12243	99638.68777	93072.81854	85087.4359	80465.39464	86479.96993	97689.04204	77502.97429	76909.66714	88154.12309	95328.89298	66950.06611	80875.22859	79371.18969	103540.8126	103845.1729	89951.78361	88163.81667	73062.01245
0.66_552.7895m/z	552.7895195	0.660716667	pos													15488.06125	14480.79026	20751.55316	17223.48328	13392.14094	17219.00074	16026.4444	12031.97673	8388.031466	12703.11237	14993.51321	8281.741692	18764.82087	14060.9228	27505.08755	17483.56515	19543.01984	21995.59051	19903.9911
0.66_555.7816n	578.7708343	0.660716667	pos													38696.19563	45961.71289	45312.00464	31215.10965	38605.46564	40973.54515	29464.52924	70389.95968	94284.55097	52527.47846	20352.05794	73708.09422	44310.68962	33037.78002	32993.59981	40265.62836	27992.41183	23200.63593	47733.00758
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0.66_559.8739n	598.8364964	0.660716667	pos													53404.26923	66898.0752	58293.33921	65891.35908	59819.88741	58109.58129	82779.53587	28803.39102	26305.20777	63979.07764	104396.8739	23102.96493	58020.40455	57365.90001	83287.42558	84920.3918	70261.36514	79545.90532	31115.65902
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0.66_564.7954m/z	564.7953726	0.660716667	pos													13271.19987	21158.53195	19279.80842	15351.25741	15412.64505	18279.95214	16290.21882	21557.14587	29830.96474	19654.44752	13989.0543	20492.06744	16380.15786	14855.40453	14577.36749	13116.47503	16564.45328	13136.02128	14314.79529
0.66_564.9107n	587.8998985	0.660716667	pos													22544.64169	23026.40849	23467.54783	26142.00779	28988.08034	21466.65616	19130.46572	28675.31923	39268.80394	30705.90602	15373.83561	24789.66553	21538.8592	20794.60609	14554.46961	20068.5571	21454.16416	18881.51304	25068.65454
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0.66_571.9256m/z	571.9256449	0.660716667	pos													15720.61305	18532.04416	10233.83789	14741.5055	15859.67419	14110.29998	15718.15123	10430.70603	14943.87574	15100.85946	15547.3484	10782.84569	14888.03242	15739.13617	17158.01559	17499.92176	14898.54479	16272.62184	10835.52641
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0.66_579.8002n	562.7969527	0.660716667	pos													60075.31294	69387.77805	68487.27346	59957.98455	68661.86177	66485.30138	67329.82986	75890.16805	93564.60971	77416.36187	48933.44734	69412.46598	60520.07055	56493.61722	62619.16063	69211.56248	64517.81361	48439.64142	63418.25283
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0.66_594.9096m/z	594.9095633	0.660716667	pos													21816.86443	21461.13365	21493.81838	17935.10507	21653.40763	18991.75539	12241.83126	30262.79755	33661.76015	27680.64993	8985.723296	33236.64946	22652.40589	18312.04283	15622.13595	14016.70579	17798.95099	11069.5979	26372.48712
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0.66_614.8104m/z	614.8103612	0.660716667	pos													63529.3199	75861.13296	74949.68853	64624.04154	64742.84123	69383.25999	82030.19275	45308.64125	50751.31509	69776.49836	77512.96612	35995.93824	60195.64211	64070.69302	74824.18812	80726.40544	67689.00992	69346.29952	46611.36936
0.66_616.9234n	655.886929	0.660716667	pos													18292.69224	21317.89078	18166.18213	25290.01717	19643.13844	21020.38397	20454.8147	17086.52293	16679.55783	18617.71162	17934.96162	19702.70551	17547.00183	20373.16707	21533.25616	18763.61354	21546.31557	20842.85986	16392.18724
0.66_629.7771n	630.7843677	0.660716667	pos													54775.31365	72794.58967	69003.03503	58698.59975	55795.93223	69699.49711	68815.04647	67746.73961	81832.17576	76323.77961	46898.693	57841.11838	57732.82211	58994.92402	62168.27964	70855.48797	57486.58641	49040.51604	53768.40043
0.66_632.7827m/z	632.7827185	0.660716667	pos													15189.75455	17672.6019	18180.31497	14215.70785	11976.78272	16119.57854	12980.92904	17285.76356	17662.00412	14169.8942	12943.32461	12366.44379	13181.28931	13585.69833	14897.05493	14872.95498	12514.59574	11177.175	12766.65893
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0.66_662.7324m/z	662.7324492	0.660716667	pos													13662.52244	14718.26909	16765.02661	13229.42695	14344.07348	13405.98753	10639.28526	35956.60369	39566.45782	23868.77774	5228.525054	30908.86413	13234.83038	13666.89721	12717.32855	12865.43797	9370.035899	7475.415877	18701.54989
0.66_663.7615n	646.7582347	0.660716667	pos													46194.36466	67630.06623	59014.07571	51785.85818	50878.68972	62346.0247	45685.34423	72709.06308	94338.70987	69909.18989	38771.09996	44260.19767	52987.91391	42357.22548	41400.84803	50542.89672	49389.70196	40879.68873	48682.40455
0.66_666.8239m/z	666.823921	0.660716667	pos													22616.36684	29725.0881	25022.98269	32913.01303	23771.61113	28940.70182	35041.95759	9710.818659	11506.11884	27485.34274	47930.55466	7606.970389	25531.88896	29080.30183	27867.62965	40269.52405	34185.25535	38633.39292	13926.30208
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0.66_682.7976m/z	682.7975676	0.660716667	pos													43295.00558	53585.67782	52115.39889	45526.17828	43661.64519	47761.96188	56051.29204	35826.33846	34905.86002	51072.69372	72193.40452	26186.75949	50910.86839	45596.62236	60019.60232	60188.37243	51935.74244	59341.21236	22727.85605
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0.66_687.7857n	668.7678799	0.658766667	neg													50876.9489	48679.79326	48836.9914	44203.85655	48223.12472	50663.75425	44996.75645	90894.70004	97447.97945	58326.61868	29573.84059	65910.36552	38510.76699	50518.49178	32237.1157	39083.04023	32654.21822	30933.40542	44009.78927
0.66_698.7716m/z	698.7716048	0.660716667	pos													45064.02181	69567.10646	70493.85541	60734.37348	54245.2852	66077.43517	63308.45657	48999.77641	59781.57131	68275.08684	60702.26178	41099.10883	55518.35357	53176.29589	69784.66026	68954.2427	52570.85905	55491.27875	46700.35341
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0.66_723.8729m/z	723.8728696	0.660716667	pos													9224.832438	8234.64727	10346.27301	8434.187932	8201.772515	9281.475756	5718.986772	8324.155574	7968.655309	5819.448578	7104.041508	7260.304061	7094.168133	5512.972209	3048.490173	9285.835726	7393.544645	8040.187912	3302.298563
0.66_730.7195m/z	730.7194668	0.660716667	pos													17582.5213	19266.93991	22583.26685	13670.49137	14010.61498	24011.58278	16632.11414	32563.35703	47027.41673	22823.51025	8386.162197	27780.11377	15588.57716	12485.18188	15305.41348	16680.65672	12695.69028	10866.69015	19645.30034
0.66_731.7488n	714.7454953	0.660716667	pos													36296.13031	63631.65932	61071.24634	46357.79193	40580.03727	64415.53646	57398.08648	58928.26947	77700.19684	74653.97151	42338.49543	44179.72253	55639.58392	48272.36447	33202.49323	62813.85923	46151.71619	43948.92462	45243.44126
0.66_734.8112m/z	734.8112117	0.660716667	pos													13608.23127	21147.47248	18675.09663	19376.47759	20185.28951	16664.12986	24128.97326	6783.612604	10331.76418	12764.32305	47274.0747	4923.953502	18663.41007	17942.29031	26279.14982	25710.52182	24003.50642	24864.52813	8368.070982
0.66_739.7990n	720.7811934	0.658766667	neg													81081.26876	88901.08165	73018.17669	80747.03918	84566.92682	95860.33838	85597.24123	86570.9638	85045.05408	87693.15845	74483.99374	69307.37069	70402.66367	83941.65163	71752.62832	80973.18761	72290.97848	74754.7476	63295.28436
0.66_743.7697n	766.7588943	0.660716667	pos													72020.29944	97859.80514	94170.56845	73998.83797	77657.53646	91968.02089	83492.95486	76557.89546	90755.77825	90921.07308	80559.29194	59570.15525	78907.76426	78057.20696	79093.25088	98790.42236	79546.10961	68927.27624	58942.60222
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0.66_750.7850m/z	750.7850093	0.660716667	pos													32769.6752	44555.53758	34581.0113	35225.61082	29301.80754	36975.17664	44805.03529	19720.06678	21442.69589	33901.42159	54963.58711	13908.68455	36056.29876	31950.2675	38995.87102	45735.06322	46967.70751	41248.76405	17437.79664
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0.66_795.7827n	834.7458992	0.660716667	pos													43717.33359	64204.09918	61006.65936	58444.12843	45449.74019	55313.01616	68586.6381	34210.70423	37400.41168	56012.76479	95283.14969	23266.47388	53633.30841	44947.78316	52247.95795	70722.83743	54894.94663	69224.91877	30717.03638
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0.66_823.7605n	804.7426683	0.658766667	neg													51069.70359	55353.09461	53538.68114	55841.00118	54041.92643	60576.99573	51394.73045	62933.02443	70650.87219	66785.22681	49952.52023	54249.6547	46811.71435	49185.86627	42770.79449	48801.17665	45346.49788	34994.40123	43270.11367
0.66_827.7307n	850.7199492	0.660716667	pos													53933.67519	66506.93381	76622.51112	46419.02572	51324.19214	76677.98998	68868.76797	74455.23799	84634.12818	81536.43182	55928.23938	53624.82237	51291.68924	57508.90513	55280.10674	53308.48047	58076.16345	50734.84369	46817.13002
0.66_83.9617n	122.9247012	0.660716667	pos													129528.022	136479.2056	126710.439	122444.14	128417.3876	124634.2089	116104.523	159697.6332	167371.6134	136700.1495	106156.0945	166142.4598	132455.8417	121537.32	118768.0118	130484.9308	124261.9234	115167.6143	118149.4527
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0.68_119.9587n	158.9219562	0.677733333	pos													40241.73799	42535.88782	50232.8354	43367.24139	40744.94623	47726.53309	47948.85043	36741.20637	33709.75567	39783.5128	48037.06934	32690.22767	44363.62333	50373.98349	50261.63153	42534.04586	54418.26217	46648.51885	55213.83694
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0.70_216.0275m/z	216.0274749	0.695333333	neg													5084.058903	6138.46964	4722.078833	5888.446947	4192.523834	4500.834642	3626.87399	4004.936033	6018.685582	1870.307285	5245.129527	7121.983781	4766.436244	4900.464977	5946.090109	6433.673189	4648.628671	5207.716865	7587.765399
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0.70_237.9882m/z	237.9881848	0.695333333	neg													52550.90988	48104.61573	44059.55932	41862.02123	39569.74733	35672.66329	53557.89229	63930.23597	64091.78962	41283.13974	48021.88518	54319.51375	38204.72202	49919.91351	34193.60865	46634.84835	40838.09976	40459.97339	44247.05568
0.70_243.1831m/z	243.1831452	0.695266667	pos													213953.7661	261245.966	325063.5591	271822.4768	269979.2746	191381.6536	176553.8178	112649.0302	136720.215	197177.1453	135009.2115	255641.5921	796302.165	174279.5464	1014369.71	555798.276	251275.1644	282922.5157	526970.9725
0.70_245.1801m/z	245.1801232	0.695266667	pos													72194.71194	104166.031	113576.5745	107505.8495	99075.86474	76652.92844	72313.75993	36092.17397	59973.38133	73725.68828	61566.462	87316.83848	282497.5949	62640.25127	341882.4015	195899.2649	96817.74815	88967.5234	182589.4635
0.70_250.0564m/z	250.0563953	0.695333333	neg													29998.57349	38026.24327	32415.18253	61486.38094	23683.57547	73747.65171	19999.22369	53703.88367	60018.41205	31569.66897	29199.77234	67450.40069	24726.81135	23003.89015	25150.38654	28833.55949	29391.46485	41219.72002	24946.5057
0.70_255.0951n	238.0917856	0.695266667	pos													71610.45696	85169.95341	63718.48883	99491.32328	59818.16815	105284.8834	44103.70015	75766.48031	98933.354	68186.98145	71428.10448	114488.69	72030.93816	76505.70572	64958.72982	91582.72224	61539.10855	96768.42161	77211.0048
0.70_259.9412m/z	259.9412134	0.695333333	neg													27916.77901	25487.50625	18593.87128	32303.77009	16200.66143	23969.24816	22558.50066	9700.250815	11859.97556	18415.77385	17729.7632	18061.4542	22908.90364	22040.9836	26012.52202	31217.97335	23706.71716	18751.53681	23559.12075
0.70_265.0263m/z	265.0262687	0.695333333	neg													9653.915076	9710.460584	9175.050146	10844.75967	10646.16872	8890.375232	12789.8788	10595.83968	9148.944398	10733.38671	13240.49962	14764.98596	6171.713627	9981.173952	8947.821022	8027.312507	10262.89015	5204.265149	9846.727363
0.70_267.0405m/z	267.0405134	0.695266667	pos													43264.37014	47546.65383	41646.93289	47316.16202	47165.7033	43808.69067	62269.95389	63309.49812	55884.59061	44535.39989	54308.75742	29063.22315	39950.2893	53572.34479	18036.06547	42569.53974	44574.03488	36261.44001	41059.12597
0.70_270.0760m/z	270.0760333	0.695333333	neg													5668.795319	8321.531661	5776.334595	6955.835479	7002.686489	8281.380042	5642.612418	5564.745161	9156.281092	4433.653593	3912.266968	6401.655971	4345.728373	3990.776496	6986.348558	7538.151671	5765.663725	7640.021308	6881.297076
0.70_271.0038m/z	271.0038425	0.695333333	neg													99703.77898	114760.1442	100613.0154	130139.4264	130805.8241	119307.8047	148484.3639	119512.8806	112746.323	130208.3265	136235.3405	87648.55246	98653.6757	103319.1258	128069.2124	114989.52	123228.6935	94983.71362	77286.10569
0.70_280.0354m/z	280.0354159	0.695333333	neg													36748.2209	39922.35284	32422.42158	38198.25267	29447.85876	24563.80618	51808.01456	43566.25561	44183.11446	34486.98235	50481.05117	46366.64998	27877.1416	35908.35889	31497.3996	40073.02922	32315.49124	32570.52041	36118.4068
0.70_281.0743n	326.0726314	0.695333333	neg													41121.42662	49747.78462	51428.41695	74129.66384	38215.95035	111285.0356	24537.45085	42100.49404	51917.11159	57201.73054	54915.2957	61352.99187	42790.23715	31954.50267	38681.97303	45879.86087	30401.9168	40561.30795	35502.27277
0.70_286.9779m/z	286.9779301	0.695333333	neg													28203.66042	30682.52324	22256.14819	38818.49954	30317.56628	37119.63812	29706.94398	39228.63645	36050.56754	22286.11506	27794.15177	28102.70705	19507.26651	17082.53391	31061.78819	28420.97754	26661.18436	25928.67913	23212.99818
0.70_312.0253m/z	312.025305	0.695333333	neg													9845.747661	10000.70327	9832.643314	4848.526517	12745.32233	5492.235282	13829.84569	1192.112764	3102.502706	10846.85945	3861.723301	4262.539844	12393.06074	12821.33662	13189.51106	6823.142217	10782.71891	2119.204378	8771.524106
0.70_333.0590m/z	333.0589659	0.695333333	neg													69804.88306	63350.33589	65709.50127	82444.8477	65035.12849	56204.80946	58886.11723	52635.76509	53976.2705	53505.49044	63939.945	79052.28859	76867.1862	81992.3049	71061.3906	65558.88672	74488.74854	74673.78346	72596.19825
0.70_398.0325m/z	398.0325432	0.695266667	pos													81671.29805	127615.2585	85928.74976	133604.8488	104239.0964	135169.8436	109945.8092	138226.0814	114088.031	91479.27101	132558.5249	48819.30431	103863.633	81476.16585	55410.62141	92195.37198	93860.64416	112525.8694	73231.14365
0.70_410.1269m/z	410.1269136	0.695333333	neg													58405.87542	45387.39396	39157.21369	36762.89494	45496.92792	49505.77301	51516.69807	79613.16657	60491.59794	48330.35187	42595.89176	50222.16699	42565.08141	34508.8537	31429.50854	47119.27641	38878.34788	55903.27688	26747.43895
0.70_423.0602m/z	423.0601969	0.695333333	neg													17460.61597	18994.09932	17295.97278	20417.04536	19625.26635	23203.76151	17473.88065	7390.213829	4213.882486	23832.25165	15574.18553	15307.81806	23015.43995	26303.06487	22978.10403	21609.33851	20022.10703	13300.1278	20446.71901
0.70_432.0878m/z	432.0878428	0.695333333	neg													43003.39776	41258.73089	51960.94406	50259.47714	44949.26891	39982.62306	61464.59605	74665.40174	49850.76892	49279.41652	50436.92379	74097.28482	32162.06348	35208.56	31855.89407	42318.38857	38462.45777	31786.68068	44049.29428
0.70_472.0132m/z	472.0132255	0.695333333	neg													214467.0551	187987.3478	209852.3474	226834.1004	241570.3099	226309.9337	171824.0151	383731.4909	291877.6782	211128.1609	197232.8056	278901.0571	151790.7659	168116.1012	152069.2587	194081.0026	166997.958	196886.3025	216719.2853
0.70_500.0583n	523.0474728	0.695266667	pos													162804.6662	218285.928	170636.9486	174391.593	208713.9482	251441.8536	193688.4793	306395.0319	245526.0486	188759.7074	187302.4735	109418.686	131413.166	137258.7145	91052.95711	154465.5247	168637.6302	164258.6623	154121.4809
0.70_509.0886m/z	509.0885617	0.695266667	pos													55774.34384	57398.13727	63568.26318	46632.61526	75575.69954	91366.3387	61495.55469	81907.32342	65339.97003	58765.86461	53074.84608	32984.40952	27903.71569	40692.44496	22995.61907	36966.21026	54438.73507	47019.07502	63421.80886
0.70_569.9903m/z	569.9902528	0.695333333	neg													41240.60095	32161.68581	30527.34487	40321.98965	33316.28088	36517.16037	23480.08234	56460.80189	43768.72834	37221.3315	43153.23699	58534.25469	25084.52319	26689.78704	22760.95385	27927.00279	30741.82669	42412.61831	53111.21918
0.70_597.0283m/z	597.0283116	0.695333333	neg													68513.89916	46199.05914	61279.32495	54379.71864	55188.04844	60659.86861	52662.08764	150862.2233	107041.1651	49327.5767	53943.19627	79873.48571	40352.07507	49565.78937	31552.8911	49732.94645	29283.63097	57771.45334	62494.49587
0.70_667.9670m/z	667.9670109	0.695333333	neg													26039.56051	20320.99402	24099.27929	29210.34576	19068.97092	20376.05693	20773.18453	27010.61577	20666.54719	17701.9616	29525.83983	44648.60215	17426.98866	20710.2001	15986.10106	35211.28912	25050.94138	29131.36295	34140.79809
0.70_773.0764m/z	773.0763669	0.695266667	pos													125477.023	165034.4669	164619.9442	113316.2731	201994.9711	231756.6088	178142.0814	225104.4583	249566.0005	173528.9771	125543.5548	69284.03975	85620.97999	100931.2578	87940.52109	76359.58611	146942.9906	85171.6283	158927.866
0.71_102.0544m/z	102.0544397	0.712816667	neg													18621.70807	20131.21993	19172.24094	22885.28031	21054.92485	19847.80735	23607.53899	17434.24982	19379.71416	23918.23013	23010.05564	20031.88824	20228.59922	20191.42697	24249.52112	23480.43193	24016.34945	22606.61757	21271.68449
0.71_108.0117m/z	108.0116684	0.712233333	pos													2414.170461	2104.995538	3209.175119	2409.163652	3501.622345	2485.695211	3210.998172	3645.126338	3760.361247	1801.886744	3756.567739	1003.730333	2195.278718	1941.03436	2421.290507	2706.160493	2795.753302	1960.919717	2293.905922
0.71_110.9837m/z	110.9837084	0.712816667	neg													73520.54759	76533.12129	81233.53399	103714.9714	60023.31611	103279.6916	77130.30659	73735.80579	72564.00581	85713.0938	74297.69782	60297.4628	69720.12778	68714.50469	79889.93612	83896.46074	77822.84834	95608.27072	93231.55551
0.71_114.0664m/z	114.0664431	0.712233333	pos													15658.47576	15926.84306	14242.29748	14623.51369	15359.68048	12031.73178	11328.05123	22331.13235	20015.67543	14192.94083	8991.16589	19951.36018	13964.94459	14098.82204	14203.57242	12430.49237	14773.44378	9867.540368	19065.12926
0.71_116.0450m/z	116.0449979	0.712816667	neg													1540.365195	1474.419191	1437.865144	1568.496431	645.7892133	1478.374755	1289.285676	0.000297236	332.4856387	1272.267605	2077.179377	722.5451661	1830.442685	2231.468423	1566.892024	1520.998917	2009.383107	714.6794876	1951.854459
0.71_123.9610m/z	123.961024	0.712816667	neg													1686.409266	1716.332937	1272.572495	2469.269091	1679.526394	1184.328367	2331.062099	2131.914284	1171.660605	2543.86593	940.5568692	1804.063934	305.2460122	1236.321007	883.5139194	1716.369371	1176.633908	1403.150583	1729.506993
0.71_124.0507m/z	124.0506934	0.712816667	neg													1813.057736	1787.906451	1874.810293	1595.286407	2265.010796	2328.905494	975.5653755	2506.373228	2492.07282	1158.956613	2190.936661	1836.479713	1929.113204	967.6072553	1701.997808	1330.282365	1741.811427	1117.74382	1419.074204
0.71_124.9899m/z	124.9898721	0.712816667	neg													43108.71093	41527.36587	43001.8446	41563.02147	65075.76864	35884.15444	44468.37892	93523.92753	58876.51471	46957.27711	34491.89208	47271.80178	35671.98051	37577.81794	36002.84501	32089.928	37208.66193	33734.54936	44910.52659
0.71_127.0253m/z	127.0253017	0.712233333	pos													9772.485797	10276.92892	11084.39534	9641.615886	11778.02267	12280.6745	10653.34753	14798.73865	12695.92462	9944.717586	9274.037226	11528.68181	9489.120969	9444.563415	8919.272238	8912.632439	8373.428764	7959.561766	8472.65909
0.71_128.0177m/z	128.0177291	0.712233333	pos													19801.5411	21505.30341	20733.05748	20386.36715	25078.64093	22271.61537	22366.97775	34578.96367	26813.43403	21628.84446	21390.19237	17865.8905	19001.84565	19257.89711	17333.82756	20510.05967	18322.18564	18095.0731	16176.32015
0.71_129.0179m/z	129.0179108	0.712816667	neg													35381.72697	40908.8687	39452.19083	41227.70957	39910.12737	29046.28307	39093.78708	32770.04874	34154.96931	37766.89977	42031.31264	45040.51709	36568.76625	37925.46794	38668.89599	42069.93068	38081.01578	37771.23091	37535.45345
0.71_132.9448m/z	132.9448475	0.712816667	neg													81429.15416	82680.16441	88411.99102	98076.20534	79059.7804	83536.41336	93188.21388	78542.2814	79192.60601	79385.01909	104802.9648	76158.99204	91430.46048	91634.01142	97483.7923	100079.2063	92009.07689	99186.80846	81356.4682
0.71_134.9419m/z	134.9419294	0.712816667	neg													27646.5241	28281.43877	28240.32767	31978.10016	25909.24793	27633.88944	31222.34015	25230.74468	26928.55242	25411.91683	35873.11663	25151.9375	29593.5921	30674.20846	32098.28221	34050.06879	32015.24793	32141.32999	28178.95204
0.71_145.9874m/z	145.987383	0.712816667	neg													746.1784339	771.7796203	671.4942932	1014.96806	0.000297236	0.000297236	1549.975189	5.464086698	4.892983624	1380.935345	888.7562043	1170.332165	0.000297236	1307.347654	906.6813998	1675.848671	727.0079179	687.8095372	1043.974842
0.71_146.0807m/z	146.0807272	0.712816667	neg													2160.492627	2029.359292	2032.12265	2123.830207	1516.474859	2042.903525	2462.733489	1443.307798	950.9241785	2808.247033	1864.675121	2441.936598	2951.177369	1728.36934	2361.654827	2379.520483	2185.603147	1136.56624	2067.694655
0.71_147.0517n	146.0444855	0.712816667	neg													1193823.045	1295246.645	1226424.217	1329551.084	1293412.526	1237950.887	1476566.248	1033823.183	1149784.818	1379269.499	1459177.676	1217514.831	1222755.835	1324699.435	1438335.661	1421457.281	1464884.297	1320457.775	1352454.671
0.71_148.0358n	193.0343905	0.712816667	neg													1283778.316	1337118.585	1328729.818	1929456.077	1249828.146	2747935.681	918202.3542	1410226.293	1700741.349	1517559.177	1588718.478	1415298.11	1192770.114	972274.4268	1090780.751	1398905.257	984029.6069	1275271.488	818266.4119
0.71_150.0517n	195.0499484	0.712816667	neg													1260711.431	1219537.819	1232079.266	1425537.022	1487648.973	2313712.779	1164443.437	1015917.448	1180354.876	1645659.772	1171685.602	1162956.386	1717671.664	1300221.216	1167244.338	998039.863	999982.3017	1015492.931	1086596.788
0.71_152.0219m/z	152.0219193	0.712816667	neg													1767.522329	1882.334555	1332.726658	2777.78795	1234.664436	1372.192502	2006.892193	0.000297236	732.5115348	3229.252867	1899.031933	1005.582274	2270.810934	2558.906123	2437.126137	3325.159971	2355.139295	1322.850884	2672.763422
0.71_168.9800m/z	168.9799777	0.712816667	neg													8262.619046	8598.275877	9584.868553	6113.990476	6447.540363	19303.15663	4923.419423	9552.367797	5096.274225	24920.85931	3575.920054	3999.322299	8979.673685	5763.498767	6908.200014	4382.352067	7224.453636	4752.014443	5082.070108
0.71_172.0122n	152.9943558	0.712816667	neg													43512.47026	41671.40087	43781.78901	24438.56536	93975.28083	27729.90327	64221.67681	49453.5836	26256.41138	63949.71776	24271.89508	10463.37752	76602.25063	66972.10913	70848.9547	27572.53949	50680.62372	16730.29924	27098.69682
0.71_176.0553m/z	176.0552888	0.712816667	neg													2129.291533	2305.530988	2270.988828	1323.947221	1704.08109	5850.196691	566.2041443	488.9619201	574.5764764	6981.924717	317.2406632	994.8066964	832.1254668	440.6158281	1692.022319	1077.002008	1708.739327	1024.112177	774.5488546
0.71_181.9648m/z	181.964847	0.712816667	neg													19369.70545	20427.67179	15068.59922	20087.62672	18603.74098	18417.20913	25926.25027	14692.03785	12306.79088	14433.65292	23792.67081	11929.30358	16628.52709	16704.83472	21761.25228	22432.866	17352.45385	14417.84196	14166.23198
0.71_183.9619m/z	183.9618738	0.712816667	neg													6003.35172	5915.611819	5595.822356	6824.590287	4781.950393	6516.787873	7888.881025	5586.116237	2580.414858	4864.566701	7342.014454	4130.627607	5134.471187	5197.343906	7529.482365	7512.139879	5410.027874	4419.453389	3991.738855
0.71_184.9846m/z	184.9845987	0.712816667	neg													18859.1492	20274.48741	20092.37547	20270.38127	20372.5045	20944.54969	23467.06894	19628.82196	23406.62448	21420.01744	26388.2462	22322.6485	22597.05297	18284.84008	17185.53013	16604.12636	18116.86095	21498.86138	24759.47223
0.71_193.1545m/z	193.154518	0.712233333	pos													10306.52503	11669.3013	7877.501196	5864.042968	39180.68293	10154.19217	4624.268101	25508.70073	7727.398687	10121.70058	4635.977905	2379.966177	6974.77733	8555.485708	8515.773332	6529.187882	7845.420593	5678.011836	7325.073476
0.71_195.9526n	194.9455179	0.712816667	neg													581601.3814	577887.4066	577973.4202	667321.4719	493173.0724	500293.0552	545939.618	548971.7306	607740.0008	520256.5632	605269.6813	623819.5222	586059.6921	649143.0031	599423.3011	708218.6346	587541.3104	740099.7382	650189.1259
0.71_198.0705m/z	198.0705212	0.712816667	neg													2554.089169	3626.316868	3185.474604	3007.387989	1316.451804	2083.913842	3712.332033	2181.177929	1196.787285	2681.432177	3206.379255	2564.36578	2964.014447	2651.07274	3138.596383	2957.661782	3490.349804	2211.417757	2457.140308
0.71_199.9681m/z	199.9681248	0.712816667	neg													5829.159058	6092.041377	5834.287701	3742.607521	11631.60395	5876.388617	6025.369455	5964.717418	6090.006309	14058.05948	5924.858262	3335.187024	5965.010583	6546.418941	7517.283975	7115.694078	6740.071307	5641.582894	5186.410594
0.71_221.1857m/z	221.1856526	0.712233333	pos													517670.925	576861.7853	525865.4772	390592.3042	862403.4322	799811.7491	556994.106	479553.9349	500098.2855	795203.4738	424095.4686	325790.2836	590105.7527	516825.977	676395.4056	433597.1355	693314.3563	367846.8665	404478.4423
0.71_222.9907n	221.9834655	0.712816667	neg													593193.3541	656824.9555	607419.3517	711517.6906	623294.0597	629865.6886	611852.0064	752382.5952	744372.7417	554987.4096	653363.6831	749580.899	530262.1422	603318.8812	539474.6339	620414.134	568649.9694	640022.1984	650797.9732
0.71_223.9793m/z	223.9792839	0.712816667	neg													20069.24423	22035.38647	20044.96451	22888.22154	17015.82989	21590.04195	19405.59875	22538.29928	21649.96551	18230.34672	20315.89999	22470.23014	16865.8048	18449.9925	18264.13586	19325.0022	19100.89468	18803.08212	18276.13084
0.71_226.0384m/z	226.0383596	0.712816667	neg													12206.22121	10665.90183	10914.93148	15159.85014	5125.704623	11176.72426	5809.559594	18496.7041	12264.45161	6530.320782	6587.605027	19995.96305	6305.340287	6765.197734	7683.760137	7992.831195	11813.32145	11377.70311	14017.02473
0.71_235.9994m/z	235.9993509	0.712816667	neg													7148.036001	6494.68369	7763.640625	9342.066869	5812.604323	11665.28601	8758.197667	6876.912891	4002.21774	11058.76913	6376.302063	5308.709927	5092.821714	5872.866487	6785.385927	7621.368198	9277.578101	5241.352853	8555.190655
0.71_243.9657m/z	243.9657431	0.712816667	neg													79726.02243	78578.94095	65421.29016	91157.12053	67754.58311	68092.71819	85003.17472	86659.3138	80339.88168	60899.699	94184.07849	60238.15776	67918.276	67178.07736	83515.128	93674.52429	73952.44374	97806.52116	66022.93823
0.71_248.0291n	229.0112828	0.712816667	neg													287720.0881	321469.1121	302323.414	412721.5031	287144.7111	480513.9065	290043.4591	245945.7556	300410.5404	314574.7587	332772.8263	302226.0677	295625.4755	285316.1189	290095.6782	326457.6143	258112.2263	311278.0327	268230.5942
0.71_249.0714m/z	249.0713976	0.712233333	pos													8078.403684	6543.275954	9688.395164	12187.49622	5708.004891	4428.75008	6525.763407	4922.398663	5095.107207	7029.662068	8800.215393	7366.022966	9229.503166	11200.82384	5720.95952	8255.098243	6914.296036	7536.139641	7412.596967
0.71_250.0288n	251.0361126	0.712233333	pos													159214.7166	177238.3989	170058.9996	169773.6719	223004.3581	190561.2954	166555.9133	315760.6877	252400.1548	179387.7955	153812.8781	153756.6397	133192.3293	136477.6286	125129.3846	142543.657	148979.8718	127312.6532	131447.7659
0.71_256.0495m/z	256.0494603	0.712816667	neg													271953.5403	266946.6793	241777.8968	305726.6678	288323.7275	289778.0019	211025.5644	375950.3014	327703.0885	299755.5014	268253.8767	282514.5102	213356.4356	219564.644	254093.9714	280553.4974	240946.0849	319833.9175	277085.915
0.71_264.0954n	265.102689	0.712233333	pos													23456.13292	28727.64536	30687.95845	27591.47298	17508.69701	25978.17602	16431.97597	18971.76264	25828.05881	30244.99134	33869.03464	22112.08258	24404.39157	26100.90705	26931.6358	28070.66692	31258.1828	36248.71962	45935.51999
0.71_266.1229m/z	266.1228986	0.712233333	pos													28014.77204	27664.83336	25918.80971	28977.48622	18560.92963	16960.10348	13352.67142	32230.08004	40439.09337	17697.90826	23752.23614	53535.70273	19616.04049	22465.83161	18553.50445	29964.71632	23061.5878	24228.58664	23850.79011
0.71_268.9831m/z	268.9831081	0.712816667	neg													90181.77168	89837.96232	82106.32565	34004.40309	219070.5595	58136.03462	143424.0212	13043.07162	33415.35273	135100.7523	80825.4159	17745.79181	119368.9656	97261.89583	119676.9125	108478.1391	77324.94932	42671.01894	76494.38565
0.71_273.8238m/z	273.8237622	0.712816667	neg													2328.206045	2552.886755	2420.779479	3366.202639	0.000297236	1835.188973	2329.63776	953.2748878	0.000297236	1813.976446	3383.028865	1616.904931	0.000297236	1910.768507	1744.659263	4348.525302	2804.495624	4570.321948	1936.117176
0.71_279.1910m/z	279.1910154	0.712233333	pos													125684.2672	132528.095	145337.0767	99284.79575	141632.9672	180096.3206	150259.2671	185031.9548	185445.2774	171762.182	138161.6557	137373.0461	116901.7056	124624.056	105427.3238	102471.961	154372.6187	98889.23959	110811.4177
0.71_281.1107n	320.0735648	0.712233333	pos													25421.60602	30584.33584	34770.27925	16267.51522	58506.50344	19368.03215	43898.22882	8005.948955	8915.00834	52079.77449	28786.16393	5500.42415	39632.82577	27645.5031	43924.66573	32224.15477	33660.34873	14233.25741	25901.74192
0.71_282.0650m/z	282.0650131	0.712816667	neg													43262.10301	44580.99594	41017.18215	28623.82998	56207.68551	44022.493	76717.44194	25856.28516	36787.06759	95076.58812	54197.25474	25311.2702	49894.00014	74482.58251	40403.08698	45024.03068	53735.76684	18682.65946	28480.3769
0.71_287.0672n	288.0741202	0.712233333	pos													49926.17148	60738.00528	56955.4356	65485.74622	53210.22164	48685.86903	52697.75472	87584.53172	75811.48901	38716.17574	58571.09921	58212.0385	41215.52868	60212.54845	46969.84687	53873.61398	49124.6678	60035.87603	56264.41738
0.71_296.0210m/z	296.0210102	0.712816667	neg													87442.84226	99604.13219	94525.25137	36982.06044	285140.927	69602.81796	145431.7216	29336.63939	47920.64525	151793.8719	93030.24347	23269.58618	114900.431	90391.99867	106909.9801	94984.02906	76747.60683	41474.73581	80735.0741
0.71_296.0442m/z	296.0441662	0.712816667	neg													177990.2504	164840.5666	174483.2445	121931.7312	201389.6847	404092.9237	205233.0227	133321.4873	192456.079	494479.1649	183591.4977	77090.97871	225658.7006	198654.1462	88359.65468	159000.5324	115534.9309	54641.73104	63109.1847
0.71_305.0778n	286.0599189	0.712816667	neg													237017.9969	230000.8613	213938.8797	254197.6364	235438.6708	189796.4768	221781.6503	373994.5649	339218.736	201325.2913	238336.4965	293605.9261	158924.4734	222468.7999	188002.4402	207083.4233	193641.2367	214625.646	211331.0276
0.71_306.0862m/z	306.0861503	0.712816667	neg													31296.68134	30559.57475	33953.53259	4332.668477	76776.42578	29151.42671	15407.79095	21313.33349	40134.47724	60993.62102	5573.010615	6208.351631	63853.93214	61639.5006	49385.60732	6637.855892	33808.18591	19590.21357	59493.55417
0.71_313.1006n	294.0827939	0.712816667	neg													79657.08375	79020.59032	69584.04944	95713.72967	62555.86821	98274.28599	62336.12298	74101.91499	65045.05307	71729.82469	87219.35395	86245.88968	64347.12491	65359.2217	64059.47653	77471.60965	61804.0444	72665.65486	68959.91513
0.71_316.0134m/z	316.0133629	0.712816667	neg													6301.877493	5015.154069	7407.614377	6748.526575	340.1193509	8307.341032	5728.000863	5566.608088	7336.289291	6897.717009	2357.810629	8796.133406	4623.085859	6491.62696	5971.214947	5922.902012	6184.52247	5482.738179	6803.350548
0.71_319.0339m/z	319.0339254	0.712816667	neg													18888.29994	14113.01456	20193.65532	16677.1587	18315.52278	21521.72458	19417.05889	29254.50953	16420.23282	30087.46415	19120.13643	12314.81558	18706.59666	19671.90681	11900.76113	15852.73717	19095.70893	7905.970288	7465.701656
0.71_319.9607m/z	319.9607376	0.712816667	neg													39846.66801	43411.40305	39102.81866	57943.9485	30638.57702	39820.99882	34842.23728	46144.51746	41545.66144	32939.41859	42660.35121	53976.60692	34497.99823	44201.36934	37717.66244	45086.69894	41744.65953	43219.19563	46210.80452
0.71_323.1080m/z	323.1080416	0.712233333	pos													29863.40037	32760.1873	30673.04275	40597.92233	25722.96124	80650.1932	10825.51271	40171.96836	61962.72764	36293.59687	23567.97426	24858.23721	24173.34356	13930.95425	12185.73763	31302.60293	20017.35095	26468.5094	13397.98758
0.71_326.9885m/z	326.9884637	0.712816667	neg													16876.92225	17431.2618	18184.43834	20911.61404	20173.68223	17470.47521	26797.52207	10765.03447	11594.02141	22360.34898	21860.89754	7692.216981	16368.86309	18658.88414	17978.11637	20482.67559	15155.98426	19857.63001	17778.56604
0.71_328.1246m/z	328.1246354	0.712816667	neg													15228.82592	16685.14709	14052.78577	0.000297236	25339.6669	12403.04656	9033.783427	5778.537023	17486.69076	31185.81245	1109.043863	1671.700544	31074.39341	31308.8312	25934.97263	3737.356442	19001.04143	5997.022245	32117.6208
0.71_335.0746m/z	335.0745881	0.712816667	neg													6631.841165	6019.063672	4316.114441	1404.093374	20365.39873	282.9810388	5707.571885	3436.948237	4270.447207	11762.95404	472.5214608	2315.166312	22381.56956	18891.895	22387.39335	2056.551021	9804.17167	1491.275308	7823.12211
0.71_335.0883n	380.0878997	0.712816667	neg													30166.39302	25565.88347	27369.06089	28456.03499	24672.41557	24085.08305	21148.97269	32389.77213	35621.6645	29381.50832	33008.55828	32348.05216	21417.5294	27186.58908	24368.27675	32506.69025	20738.3528	25468.28425	20473.08632
0.71_340.0315m/z	340.0315441	0.712816667	neg													4806.840377	4985.686302	4103.08429	8794.104416	1786.804036	12891.58867	3325.00944	4860.175878	7726.763045	2819.402744	6939.577224	1309.075285	2970.080545	1035.342177	0.000297236	4996.238909	0.000297236	7328.742017	1514.351403
0.71_341.0956n	322.0777894	0.712816667	neg													93111.34127	92440.00729	87073.45863	116621.2798	80745.67151	181892.4919	59174.87727	109108.4236	141542.2355	107190.734	96061.40907	109309.4215	82850.04976	71952.50271	69555.95179	94168.77892	63938.58412	93193.20546	60135.93336
0.71_346.9986m/z	346.998639	0.712816667	neg													88487.50141	92621.68404	85811.25805	98323.63168	92659.75786	89928.62682	77014.1261	126920.4373	106791.8981	90801.41938	95110.77744	109739.7555	69593.50732	80481.57674	67621.26422	81625.37879	77448.04553	84280.47011	99277.75127
0.71_354.0263m/z	354.0263338	0.712816667	neg													54798.78304	51893.07862	50642.68689	66208.9186	58290.01073	60020.95542	53795.48998	54825.95595	55079.6704	57929.99274	59453.46723	45347.67565	45876.28587	49061.74552	56573.99746	59399.13311	47392.43871	62669.15917	57407.31598
0.71_354.0722m/z	354.0721538	0.712816667	neg													46589.31894	44724.02389	39762.11746	18489.85058	78275.83354	41396.39834	77880.27347	32699.76359	24660.89052	66606.04656	23988.96506	10542.69807	77736.29875	57939.56141	104210.0329	30480.96541	65807.29533	13585.96158	25890.86217
0.71_356.9992m/z	356.9991669	0.712816667	neg													31741.99976	28648.15497	28440.00105	21249.34011	25215.82317	19280.87976	38011.70039	24040.86211	29806.78245	30553.54972	24499.60025	31468.93375	22040.01334	31732.99405	34890.54674	33247.79262	27207.83252	24470.12972	23177.10117
0.71_366.0739m/z	366.0738914	0.712816667	neg													21962.08396	22153.49948	24590.085	29966.97516	12500.11267	23129.07056	18034.63043	9640.592636	2292.688299	19075.64297	21090.46227	19591.44787	16569.71947	21503.93586	19459.16046	29599.55296	24067.88224	15150.31678	28633.70353
0.71_368.9805m/z	368.9805378	0.712816667	neg													19101.31394	23460.84409	18049.56563	22276.31549	19093.70568	20934.99031	32082.99818	18314.0819	14145.47982	21505.85001	23074.28802	17824.94416	16944.42929	19347.03726	27757.65756	20547.12815	22398.20979	12469.21494	15329.31247
0.71_377.1299m/z	377.1298872	0.712816667	neg													6736.187836	4619.488423	6903.128662	0.000297236	7479.238849	7318.719228	3271.069685	0.000297236	0.000297236	13529.98318	0.000297236	0.000297236	21246.60516	13380.9665	6186.706364	0.000297236	4474.752066	0.000297236	9651.873624
0.71_378.0123m/z	378.0122746	0.712816667	neg													19079.32928	15287.16543	13379.28763	18580.4231	10663.22667	13214.59733	21738.00089	10247.67718	2111.862206	13176.96812	13892.67645	27197.55455	13447.55864	14050.50748	14834.80522	19214.01847	13956.44439	10073.91705	16251.77863
0.71_380.0420m/z	380.041953	0.712816667	neg													52309.43012	53860.11889	49433.48447	34984.73344	66192.16314	40194.73166	85509.49377	31031.01719	40038.91056	92488.45955	63622.72854	29171.72786	66395.49755	100436.1443	40563.87888	64787.68454	66982.26951	25994.2546	40738.37516
0.71_384.0370m/z	384.0369678	0.712816667	neg													35743.81609	39803.3486	37195.23804	35269.27472	46581.27276	32297.4842	45483.40548	53538.30125	53339.81518	38094.25942	38093.2237	52942.12653	31820.54072	39307.95533	32455.4065	40867.27906	32884.46799	30681.36847	33765.6817
0.71_389.0939m/z	389.0938541	0.712816667	neg													76601.74058	66844.69238	60622.55972	108248.8345	64550.38526	269433.1574	40159.27094	62726.75875	88725.09474	86113.32912	70208.21686	61524.06512	81942.18753	47391.10418	39888.09577	58027.06041	27009.84411	52929.62635	26638.94768
0.71_394.0211m/z	394.021094	0.712816667	neg													38968.15089	28420.38057	29948.32042	23220.89039	29570.14716	67843.812	35457.69842	26365.56961	29655.22329	89790.24218	35858.02487	16532.12003	39944.79271	35670.58699	21108.49833	35206.45495	25978.74112	14924.68777	10796.65419
0.71_397.0821n	398.0894153	0.712233333	pos													48498.44262	58088.95331	66979.40015	51026.62384	53224.07906	53190.49475	53647.46068	42630.3806	49247.44332	55647.36473	54999.36606	23133.39127	56363.18542	38988.25625	46827.79415	63619.41157	62429.25985	47693.97782	54434.39982
0.71_398.0261m/z	398.0260694	0.712816667	neg													18888.0162	19513.20456	18812.25765	21318.20644	16102.91353	11369.14023	20581.13991	24946.20837	20026.55637	12596.53883	19768.49163	29589.23843	16383.04309	21189.25063	18609.53254	21546.79174	10583.86094	19800.03119	20917.36794
0.71_405.0502m/z	405.0501756	0.712816667	neg													46900.90664	54232.47723	50288.53119	55406.91368	48416.00002	42239.55524	78120.70042	49499.36521	40872.21566	56722.15001	69235.10446	80123.1793	36618.7355	47701.65697	47141.19644	47304.65593	60012.26364	33303.2629	44877.75588
0.71_417.9379m/z	417.937941	0.712816667	neg													61229.57547	60787.78083	55914.45956	81883.17415	44024.31157	50985.52238	55975.21524	47715.55569	47496.17889	41037.87437	61609.13872	75021.62281	54756.42894	63777.09653	51423.62879	70364.59609	57917.88958	76026.39151	72487.18774
0.71_432.1302m/z	432.1302391	0.712816667	neg													7119.605368	5819.706337	5974.417436	3736.239404	5516.013935	3762.538836	5744.113578	0.000297236	0.000297236	10658.48242	573.7669462	9612.690757	10258.39	7272.801157	5357.296509	6796.513507	10361.28064	1141.613786	8811.919174
0.71_449.1071m/z	449.1071377	0.712816667	neg													27381.99766	26064.35433	29219.70964	21898.75793	23605.30867	24288.03891	26141.44493	54322.84772	40942.78126	30209.2452	31157.0872	32336.40133	27497.79172	23075.08134	15420.24943	21408.992	24045.31738	30651.82801	20151.21684
0.71_452.0489m/z	452.0488989	0.712816667	neg													18242.83294	12999.64882	16139.32526	7539.446538	19597.05706	13188.47494	17864.10057	831.659232	2785.201474	24543.33306	8667.087997	1195.695139	29644.7927	19760.18664	32823.99958	9643.836556	28663.87645	3442.862123	7175.445642
0.71_454.0784m/z	454.0783589	0.712816667	neg													16202.6587	13688.43925	13870.06403	5314.432474	20361.99563	11585.84069	20232.7444	8592.027761	4394.646982	25255.99524	8328.82311	8477.831334	13144.9238	12413.22744	5110.604774	12471.16673	11084.90384	11078.18964	5500.046425
0.71_466.9571m/z	466.9571299	0.712816667	neg													18180.06228	15365.86541	18175.8064	31303.46565	15769.78632	20497.51696	23243.32946	13002.02498	13431.79167	13893.32992	22801.80614	19840.99965	11440.21056	11470.0322	19912.54988	26062.91737	18030.43912	14576.72144	18002.16303
0.71_493.9957m/z	493.9957374	0.712816667	neg													24262.90053	23375.28629	19404.2645	27140.70515	22419.20842	27638.47366	23475.66451	27310.50329	19010.33143	15330.29181	34264.95524	20032.59544	22090.31993	25403.60072	20188.21085	27786.20208	27027.04759	21685.54872	18445.33876
0.71_495.0589n	496.0661461	0.712233333	pos													64177.1262	58504.0259	59688.0707	66230.03536	65594.59231	62487.76525	65626.917	54468.53331	58057.32061	65832.74553	61248.67552	43580.21552	67963.75864	61661.05791	58437.90964	66532.96461	70677.84283	75075.06206	66642.03183
0.71_503.0274m/z	503.0274144	0.712816667	neg													12397.54979	10615.18897	10332.06327	20049.1428	8576.041318	9808.311768	15599.23107	8534.55961	5281.316842	9192.551898	13668.15058	23194.99169	5049.660163	7891.621778	7630.814943	13017.45061	9783.743577	10381.80665	8720.005795
0.71_515.9144m/z	515.9144251	0.712816667	neg													12208.11093	8907.40903	9791.429565	13204.95389	3689.549005	5308.998233	2270.84306	5929.971551	5907.984571	3466.066415	6224.076876	18449.87835	9635.738329	8760.698153	9039.168811	5690.596967	8499.266673	17350.58248	8326.304599
0.71_523.1040m/z	523.1039525	0.712233333	pos													284313.6627	357040.9039	445178.1257	324971.6337	361086.194	430148.4106	365133.5508	486333.9094	429372.5298	402006.5962	310996.2867	411994.2558	325653.864	305918.5974	289312.822	293166.2006	337572.9603	261276.1713	432653.7867
0.71_542.9524m/z	542.9523988	0.712816667	neg													12769.73537	19478.71048	17916.52343	23924.99889	9652.392861	12386.64828	9431.940199	17294.64872	16618.32268	15205.48033	12458.06173	24209.42106	11482.06601	16980.35124	16186.37338	18569.09873	13471.5081	22898.39724	22871.93624
0.71_560.1399m/z	560.1399216	0.712816667	neg													43715.66389	31220.04881	33274.43226	36645.2677	39125.89823	29565.35675	29529.25559	78806.53024	63665.18246	26588.12484	36127.58972	80048.26751	32997.93593	33427.81087	28825.05782	40191.5097	38960.44346	43716.15613	30986.39344
0.71_564.9342m/z	564.9341855	0.712816667	neg													5835.049534	8425.618022	9485.520132	16232.79266	3748.084405	10100.02364	6453.82496	3341.254757	0.000297236	4643.446468	10387.04785	17227.97897	9542.678816	4759.257042	10946.4956	10460.43429	4965.916447	14718.87501	13835.44628
0.71_648.1179m/z	648.1179443	0.712233333	pos													120975.9623	149913.6016	180448.6252	132868.0705	162128.5227	185787.3233	155356.6936	263345.8184	208140.8084	171899.4301	122577.491	200931.6491	135160.1887	120406.7589	122836.2534	124710.7013	133487.9554	88239.53688	208186.2179
0.73_110.9742m/z	110.9742041	0.7299	neg													1942.330446	1843.158952	2154.785028	1467.490571	1713.169203	1543.580281	1376.591088	1257.792261	594.3079216	2533.771341	1731.783584	996.9232597	1474.839983	2204.770603	1704.362708	2061.071094	1356.516559	1106.544215	1364.391063
0.73_122.9743m/z	122.9742781	0.7299	neg													3484.530933	2804.571293	3020.050287	3369.874014	1894.596632	2416.32734	1198.306547	5914.996539	10590.37391	2522.589688	1643.901012	5587.876106	1921.67546	1975.594676	2259.091001	1717.39832	2612.266493	3360.304021	3208.250928
0.73_130.0608m/z	130.0607602	0.7299	neg													5849.967582	6179.087641	6310.286667	5923.736646	4207.201607	3871.82229	6598.806407	5584.693185	4522.377741	5215.987884	6589.18713	6259.031547	5388.248699	6694.58972	4785.403328	5635.060522	7224.174153	3763.222009	5765.442925
0.73_135.0290m/z	135.0289847	0.7299	neg													669360.3483	666626.5742	696757.276	661621.2325	761252.3622	700624.4812	673614.0252	853115.8105	756040.5125	775292.3032	662239.9969	691962.7856	639220.8431	614900.6269	591133.4382	627828.5082	651503.0636	650978.3921	686939.6681
0.73_138.9692m/z	138.9692477	0.7299	neg													7426.661343	6982.909055	7738.918198	5336.823461	9065.379628	7378.852887	6675.555162	17675.3386	10743.80547	7226.805205	5179.444564	6651.517658	5074.629419	5791.907122	5847.53723	5353.06887	6440.491062	4636.862996	6838.400042
0.73_146.9606m/z	146.9605821	0.7299	neg													3910.277162	4147.205586	5103.495278	6420.996539	3245.975893	6197.067765	4991.015303	3750.604797	3449.146156	3708.033379	4891.47746	2631.030021	4193.312993	3647.389347	4213.235444	6363.066338	4397.274633	5095.618521	5194.733085
0.73_148.9576m/z	148.9576234	0.7299	neg													989.540048	1677.972276	1532.414218	2631.835489	360.0833862	1412.136305	1747.331327	1191.621737	353.5401465	1656.469967	617.6507613	0.000297236	821.4810306	601.8642795	1369.25119	1417.076532	799.1690916	1404.133202	1544.073046
0.73_152.0010m/z	152.0009886	0.7299	neg													25207.31711	25572.99857	23832.5551	6123.727839	9333.220141	7626.12076	6318.213215	104169.4291	146587.8613	10388.85031	6541.497858	60128.37458	7418.671596	7565.236263	7149.800971	6269.483082	6026.818197	6705.06134	7779.313909
0.73_154.0440m/z	154.0440417	0.7299	neg													2873.159773	2190.562506	3304.30154	1918.930183	3485.019425	3474.303583	2386.803119	2061.986366	1520.790185	3128.588104	1596.378098	1556.333292	3214.788579	2380.601884	2568.454439	2673.923722	3316.61165	682.9291846	2327.449367
0.73_160.0603m/z	160.0602544	0.7299	neg													19666.57257	20722.13476	20805.27699	21823.17602	15308.09448	17255.14228	22798.21736	18112.94833	20481.20579	21531.85219	25817.99801	24042.75341	22347.30867	22892.36472	18894.12898	17854.40522	22468.61188	22659.56007	19991.32076
0.73_162.0759m/z	162.0758865	0.7299	neg													853.4244946	1206.669681	966.9840355	608.4826695	1373.477507	2085.410149	1328.349069	1298.215701	1751.897701	1383.874184	1082.353507	540.0426853	1052.612148	358.4551089	713.2063779	655.2932076	617.7780918	579.1352692	403.159023
0.73_165.0392m/z	165.0391811	0.7299	neg													194635.8286	192725.3967	194861.679	365104.5325	118118.9136	156367.404	124561.0111	146291.9604	106108.0209	119076.2186	210322.4465	273179.9522	171340.485	140404.2109	229080.6627	207776.1366	268358.8792	342643.7878	282127.7205
0.73_166.0424m/z	166.042414	0.7299	neg													9612.264402	9034.090916	9631.601657	17894.81704	5765.832609	8450.85107	4803.253321	6048.848295	3806.061403	5548.247331	9690.343609	13741.41124	7522.896346	6548.159608	11852.06275	9252.506176	13227.13546	17575.78289	14493.43464
0.73_180.0325m/z	180.032468	0.7299	neg													2721.835217	1786.904602	3287.863815	2805.072464	2893.861528	1697.357565	1421.65401	4098.372051	3896.063729	4688.150897	1944.283733	4234.629263	2413.608994	2018.829458	986.7012642	2711.404516	3258.010335	1703.42731	4415.2589
0.73_182.9958m/z	182.9957783	0.7299	neg													2669.180948	2197.256789	2537.024292	3052.142489	2422.389531	1984.243019	2859.847731	928.5829667	211.6227024	4140.38528	2380.69535	2844.070566	1181.314682	2829.388726	1538.141837	2238.787495	2299.864701	1081.83957	658.079778
0.73_185.0456n	369.0839851	0.7299	neg													67803.26216	63203.19374	62200.23645	164239.6806	48851.49488	70033.01993	56020.87389	60187.31275	38589.54032	39225.21677	86279.19051	91581.8581	53908.2818	46875.59651	71416.61956	87133.3668	65390.46081	106212.1542	80385.21575
0.73_187.0454n	205.0816527	0.729216667	pos													108898.3586	113402.3157	106337.2695	108791.8889	112899.562	112760.4218	109294.2919	91548.54377	100609.5402	124016.6852	112816.7011	111880.9384	125570.9275	116339.0742	113500.5272	130306.4213	127722.0921	119015.305	109765.6181
0.73_190.0411n	379.0661196	0.7299	neg													27618.0623	25833.83312	26686.15984	29068.3087	24701.13957	38866.31948	28814.20992	24219.94461	17756.15518	37817.45291	21217.56641	18362.18038	29742.84866	24365.63784	22542.97323	21147.70147	20552.88119	22699.63997	19426.66035
0.73_193.0575n	385.1153414	0.7299	neg													169376.9126	155595.2193	142524.9751	50103.00451	231668.2073	143180.598	101963.9131	80200.50006	114495.9666	251878.6183	59659.93943	47559.75997	299851.6205	248359.8263	204603.3894	63300.46145	165486.7087	117152.7811	204435.6071
0.73_193.8146m/z	193.8145597	0.7299	neg													11612.16137	7284.905647	11218.27679	9567.032678	11349.85956	8473.511149	11650.12395	6558.143504	5601.860003	8139.425056	15468.63424	7936.734064	8731.044024	9286.640073	11114.52094	11465.18803	10916.21852	9772.933645	8114.448814
0.73_195.8098m/z	195.8098401	0.7299	neg													181931.3433	172648.6694	193622.6401	182118.2816	203774.8448	155806.1241	219625.2753	167875.8156	137608.6054	161258.9288	310142.4089	148743.8566	166117.2116	192341.0826	235836.7004	203046.1418	217511.5823	216618.7171	157571.7818
0.73_197.8069m/z	197.8068786	0.7299	neg													236906.5595	225531.6036	246304.3125	241842.6231	261292.496	210598.9963	291589.3025	216190.0281	183817.4658	210735.6635	403877.3052	192073.299	214126.2549	247478.1873	305555.9098	272312.716	277533.3871	282702.0463	207861.9009
0.73_199.8039m/z	199.8039437	0.7299	neg													112374.4899	109918.7539	116571.0335	118660.0166	130931.062	98801.96764	138019.4011	106703.067	90256.99531	98648.41269	193319.0218	90256.14756	101402.9666	121077.4249	143808.7532	129135.8122	137402.4476	135366.5185	101323.0836
0.73_201.8010m/z	201.8010306	0.7299	neg													22360.09348	22511.17984	27286.57158	20882.84009	26998.64134	19930.24514	28525.51532	18218.24457	14908.72632	20234.74785	32830.74775	18613.42966	20429.13447	24259.05877	29258.81862	26383.17898	26843.67227	23836.18558	20892.5785
0.73_204.0035m/z	204.0035151	0.7299	neg													9761.586149	10045.57502	7716.052478	11925.4393	8304.04822	9319.696766	12376.46523	5999.436543	5915.264131	8506.090518	14553.54552	6847.815597	10494.31216	9562.747346	13378.28963	13825.46005	12987.57544	12714.56184	8672.278991
0.73_209.9685n	208.9612818	0.7299	neg													63160.82755	60026.43974	61392.81026	88272.09843	42550.16572	79139.63308	58848.52088	54817.89999	56092.97022	58883.11888	60032.57796	53479.66647	55919.72636	58326.1035	58725.61978	72910.42611	63902.51908	85075.05471	77576.13858
0.73_236.1125m/z	236.112539	0.729216667	pos													22079.46974	24098.21094	22698.78729	33114.56165	8506.555267	25533.91464	7408.701396	28074.89705	28132.99733	14968.6168	17871.31549	42931.00107	17360.40534	15525.34704	22292.87613	32795.61796	19161.48281	36869.97628	31306.88706
0.73_236.1733n	237.1804274	0.729216667	pos													192993.0172	182852.9389	180982.7415	205979.6098	129740.4842	198863.7604	108302.973	147284.6034	123669.5311	124744.6556	226362.2899	230115.1299	141959.299	126432.0295	237090.7994	221677.6111	168819.7619	257989.0702	223191.8021
0.73_241.0849m/z	241.0848611	0.729216667	pos													64429.14593	57275.89943	62128.08817	56422.6011	67177.2262	68973.47174	62505.40206	67119.76103	55034.80173	61866.87128	50717.72829	47329.69828	50481.45523	65420.71449	60583.41328	61135.00239	62034.19578	55988.01116	62927.28076
0.73_241.0858m/z	241.0857556	0.7299	neg													5584.470341	5212.847326	7894.539211	2796.084477	6730.554747	6673.309798	5477.259298	2378.056292	1414.290968	8788.683622	2868.396895	2875.858529	3932.982888	5941.081571	3217.539367	3984.166289	7835.316243	615.2912062	4488.931384
0.73_250.1586m/z	250.1585624	0.729216667	pos													59392.74826	67666.41983	58171.07291	54579.84281	44190.69697	48477.62705	61611.71912	79606.12863	86866.18653	53379.08461	55379.25007	70854.33285	63109.39661	66442.55179	47454.33831	54232.19486	67510.08387	50242.89525	53220.07224
0.73_251.1961m/z	251.1961172	0.729216667	pos													341749.1098	322810.0221	331121.6153	324552.0904	297319.8354	440627.8976	210031.6301	277425.8387	248144.9866	280386.3483	341381.9373	328015.0805	248976.183	232577.9315	411531.0331	369548.0746	318485.1752	386239.5614	327990.5822
0.73_252.0544m/z	252.0543576	0.7299	neg													151636.9969	141250.8467	142012.74	136245.4578	152552.8621	228647.9624	135881.2472	121741.8386	137677.6265	243468.248	147901.4239	130200.6751	168495.6174	152948.7112	129517.2955	156904.0335	129950.79	115460.7881	114119.7448
0.73_254.0688m/z	254.0688383	0.729216667	pos													223761.5073	239557.4881	237008.5744	155864.4866	254136.0464	261083.2466	275702.4467	136158.7876	169946.7218	416385.7601	224321.4128	131586.8252	292725.294	344554.0959	244455.2806	266498.2863	238167.5801	125075.8748	194087.1373
0.73_257.0565n	258.0638894	0.729216667	pos													87274.33377	92685.80939	89589.46793	117172.0629	87639.48849	92976.86737	56528.20916	115281.5634	98441.76832	84800.41282	95333.44686	97093.82185	79768.84888	82718.78482	101996.6645	101133.694	78088.07253	107692.4644	85597.42609
0.73_257.8109m/z	257.8108624	0.7299	neg													9114.546476	7896.33643	9118.269584	8867.48724	6995.581723	5359.800809	9819.363389	4537.894958	6060.677002	5384.288216	10092.05851	6996.594307	6732.318891	10103.68059	8506.308657	11836.63678	10929.16332	7637.328264	6710.341162
0.73_257.9817m/z	257.981663	0.7299	neg													2365.741067	2029.475124	2551.666812	4314.770779	1681.96834	1311.08689	2475.452024	1884.839293	422.9167827	1989.240489	3121.727715	1270.439172	0.000297236	441.5116593	0.000297236	2636.766879	1771.132225	3310.083773	1442.506624
0.73_258.9820m/z	258.9820207	0.7299	neg													22877.06767	18338.42842	18837.33514	17027.44756	17918.11887	12910.86667	19259.80567	27932.53121	25642.80215	19537.49268	21362.47962	25995.37631	16703.58938	25053.43674	16124.20724	18582.9468	23356.83811	18024.8262	19950.10762
0.73_259.8079m/z	259.8078566	0.7299	neg													10756.82464	7254.864369	8134.653977	8428.541954	6167.596191	6199.494224	8236.10797	6443.907348	5498.527673	6202.144703	11952.5182	7598.290093	9053.693928	8687.227819	7419.067273	10215.98175	7390.739279	8128.325983	5454.556465
0.73_260.9799m/z	260.9799335	0.7299	neg													19649.30568	18584.4412	17484.22913	16609.2905	15720.47571	13975.08044	19851.19468	23993.52839	23651.43326	18680.47538	20097.28232	24501.00632	16968.51225	22668.41548	17462.32054	17775.75695	21580.29585	21508.6234	19341.83526
0.73_262.0048n	260.9975731	0.7299	neg													15885.40605	17369.23826	16553.96571	5735.325113	24408.27422	12330.06227	11399.27739	7332.044775	15296.23396	33823.07092	8591.864681	4996.151191	30002.66568	29796.85385	20532.13771	6895.797019	19789.07775	8680.428751	23846.19714
0.73_262.9956m/z	262.9956274	0.7299	neg													11117.18402	10993.13531	9690.851715	860.0302783	16905.37016	8293.421561	5268.030567	2271.00904	4159.741581	22006.79175	899.140729	0.000297236	21330.13538	22068.606	15242.99043	1279.629258	14911.137	2313.221775	17767.32673
0.73_263.1960m/z	263.1960218	0.729216667	pos													14002.146	13891.92221	9855.490173	4230.35994	27355.89102	28364.48826	8415.333514	14342.06681	12311.98205	19579.47995	8742.557998	2865.289163	8455.869304	6271.840337	10238.65819	9199.70292	11429.36196	7572.166428	8313.374311
0.73_266.0045m/z	266.0045099	0.7299	neg													27861.70512	27881.8643	26359.96921	25864.86697	20675.65389	23284.2996	30239.16969	15058.28724	17946.31695	25123.67248	36413.25145	19411.99291	27041.70582	29122.85596	32452.57367	33106.77125	29504.81627	36087.27147	26855.11237
0.73_273.0615n	318.059167	0.7299	neg													165939.599	150084.3028	160393.8442	150211.9792	171490.1857	127788.4983	184144.9261	110727.6624	123217.2046	169024.3743	151332.4054	174084.5092	181589.1381	181782.3882	173842.1764	171180.4152	162466.292	149763.8843	187451.594
0.73_274.9594m/z	274.959376	0.7299	neg													4719.106106	3472.874647	3846.03062	4511.039951	3255.205503	7539.153178	1702.093717	4402.272524	2653.84633	5948.886083	3471.757126	4845.988421	2633.695941	3065.603555	2543.758845	3966.976694	1104.804914	1188.413975	2703.672443
0.73_278.0399n	261.0365824	0.729216667	pos													79073.31082	84246.88766	85582.88162	110856.3755	74954.82356	59468.31295	77978.25668	78647.93172	81694.55098	52798.69605	89935.78069	92447.88626	83670.828	85092.7007	101996.8183	113966.1778	82907.62497	96156.91163	66744.63455
0.73_284.0444m/z	284.0443537	0.7299	neg													2649.593389	3704.901606	4684.05632	1055.234244	0.000297236	1488.40427	0.000297236	17833.78186	32142.64621	2241.343046	1472.338138	10342.90289	182.1826185	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
0.73_288.0312m/z	288.0311506	0.7299	neg													44702.55613	39446.43829	50693.86609	32629.74011	46125.26302	47845.38289	62225.98032	27421.67596	34001.91011	89441.03968	54495.4341	25198.93708	52626.26833	64881.69534	43620.2708	54574.81155	49846.98821	25916.23706	38444.64369
0.73_294.0717n	339.0735308	0.7299	neg													130084.9679	127473.8877	121592.3987	178247.9382	114307.528	146017.4761	110288.0288	177708.617	127817.8224	118806.4231	129195.8717	146139.8058	107068.189	108302.5377	97790.80763	139477.3533	105891.6772	139317.9738	106831.0762
0.73_297.1057n	278.0878389	0.7299	neg													131348.6668	127435.1576	182792.8683	140452.7391	100576.9001	129561.7381	100107.3628	107401.5173	126142.6621	183898.1038	135515.7573	134094.6151	184476.9425	184139.6383	147243.8762	147112.1546	210026.0999	167178.7041	210681.9388
0.73_300.1199m/z	300.1198872	0.7299	neg													5654.048975	5085.562933	8441.016246	8328.895165	8959.508308	1797.267754	6507.535681	10322.94884	6164.515714	2807.497856	8855.208397	8509.735153	5833.816484	5318.577207	4829.44856	5120.286125	6987.952364	7551.247606	6746.474507
0.73_306.0607m/z	306.0606841	0.729216667	pos													9298.65302	12240.37526	14757.93274	5577.684814	20059.1003	7160.731536	27769.5986	1875.815765	6361.176318	25897.40268	19517.84609	1841.04398	20619.82286	22595.75307	11416.15059	18722.18089	12465.19369	4018.694709	9689.504845
0.73_306.9390m/z	306.9389716	0.7299	neg													14501.62818	12386.2087	15828.89456	24794.2541	10907.24709	17966.86634	15661.216	10974.94465	11912.49681	14407.32014	13142.72988	10256.04168	14811.07802	15227.92751	13363.39547	17408.73807	15940.97759	20988.34119	19581.4286
0.73_315.0722n	629.1346715	0.7299	neg													53426.88268	53830.03714	48664.23846	59975.88114	42828.46748	56141.48492	49391.26088	59477.52296	60863.47144	66673.41628	60844.91313	48014.21472	43952.54131	43728.61026	40067.34443	48367.30699	54418.20079	57828.55793	53703.47887
0.73_318.0020m/z	318.0020256	0.7299	neg													2195.294869	3416.576003	2278.80542	2809.916169	8551.115479	2170.135631	7596.540397	1020.129231	2901.9488	7061.174278	2574.849148	4291.47997	5244.651681	5913.627139	4266.383782	1516.086464	3640.036993	3314.949442	5096.217761
0.73_341.9428m/z	341.9427721	0.7299	neg													68433.89998	69243.68093	51593.04322	81773.06806	51230.91918	54811.78112	73382.24456	47946.24111	44684.94787	47720.72998	69560.96235	58706.0965	53742.93873	59297.23004	66619.10408	83153.69445	60754.98364	68318.96676	59389.10587
0.73_348.0694m/z	348.0694452	0.7299	neg													18525.70392	18129.23725	14042.3924	20460.62582	15087.80709	12759.33017	18144.84207	19398.77055	16293.24997	7860.676056	19389.59333	21749.33069	12202.42414	20762.32997	21523.74226	22393.86469	17288.0899	29977.61576	19957.00843
0.73_350.0314m/z	350.0313599	0.7299	neg													86264.60866	85824.25801	78911.76425	65645.55071	86032.53645	75781.58749	108887.8802	50261.18796	59812.99259	157251.0272	101025.6318	50702.57243	109392.502	141633.1864	91183.25763	107867.4812	92638.64492	65802.4261	77685.2846
0.73_352.0931m/z	352.0930894	0.7299	neg													13598.27457	15919.44182	10835.0276	25698.9574	7895.29511	13905.93766	11737.69878	15173.33526	9685.560141	11082.10607	20080.09359	17785.37808	10305.69305	12967.45522	11926.52996	20236.79529	11553.6736	19236.60424	13525.403
0.73_359.0831m/z	359.0831417	0.7299	neg													12646.54552	15856.27159	14532.44004	29459.08253	13764.73679	21825.08215	7442.385453	11518.69323	8696.791212	11447.10412	15646.01789	18045.26353	13948.68619	9545.155012	11420.23295	16728.19322	13200.18321	18744.8546	9634.084426
0.73_363.0927n	344.0748242	0.7299	neg													19456.11861	16479.55183	19542.71462	16461.94184	14611.82866	16310.88195	17237.86076	34865.86962	37088.82734	17942.89056	20111.13487	30359.65916	18445.41636	16136.65779	18214.62233	18414.35915	18200.72413	16859.76282	20077.34094
0.73_363.9815m/z	363.981496	0.7299	neg													11549.06366	8795.694085	9189.13362	13697.51125	7159.738203	5503.590444	12876.88797	4234.595402	4518.602882	6432.555038	13905.92994	9682.809529	11757.88714	11908.11296	13296.98103	18434.34401	16158.55978	15388.04491	12700.79882
0.73_365.0851m/z	365.0850594	0.7299	neg													8584.785792	7371.221307	8838.941437	5991.643399	7502.06351	8337.884988	13859.91215	6984.554953	3838.45926	11931.41981	2383.88099	5243.418088	11295.69275	10803.48615	8555.358041	7839.238064	10544.59643	0.000297236	6424.84558
0.73_366.9599m/z	366.959874	0.7299	neg													9584.386495	13384.55028	9566.461298	1140.35832	26556.53703	5951.151664	24990.62853	0.000297236	2825.520309	17458.22015	12516.89351	1871.212968	18635.1786	15983.09303	21216.62092	18105.57732	11408.8622	3763.140133	11665.61095
0.73_377.0721n	376.064822	0.7299	neg													110993.4226	102053.6555	100072.946	107118.7837	98158.51281	104460.5887	107929.2565	81136.40407	106552.6725	152940.711	111366.5032	89527.16116	109405.7939	111187.4115	109001.0475	123305.7579	109763.8197	114890.8631	120315.5653
0.73_393.0478m/z	393.0478408	0.7299	neg													3769.96784	5882.461974	5232.315369	9362.481589	3639.568802	4295.570985	3913.33575	8262.840496	2822.885122	5749.726005	4794.353551	7381.173089	4231.603728	4529.234903	5591.243606	8738.187189	5981.904832	7856.123176	4526.890477
0.73_403.1018m/z	403.1018421	0.7299	neg													16010.41353	17938.85352	16802.78412	14417.74878	12899.35329	13596.84581	7406.77562	18974.68134	13671.44063	16845.94012	14038.10244	14850.19873	10712.06719	11137.28778	15796.30195	14054.70947	17121.63379	19652.4095	17147.46822
0.73_410.0024m/z	410.0024083	0.7299	neg													10400.41245	10532.3591	10340.12659	12442.93202	12089.63761	11359.31624	9195.662394	7440.494044	5994.655053	12998.84695	7130.543111	9244.388483	11693.17474	10347.24639	12351.69342	11732.26594	13636.90402	5601.411627	9574.38241
0.73_414.1259m/z	414.1258545	0.7299	neg													19409.3423	19189.62117	20290.01991	29788.52264	13675.92174	36630.35859	15499.23332	16434.7761	22300.10609	24306.87529	24507.47131	21255.21043	16550.03645	18285.52222	19203.27216	19789.15939	16092.82235	21930.88533	21867.09396
0.73_416.1409m/z	416.1408921	0.7299	neg													18740.87362	21028.44883	18221.95514	25281.97328	19854.5814	36621.95078	17967.67769	11629.07531	13153.20032	22940.56254	20008.39949	21728.04249	29219.90216	21985.20282	19997.05868	15511.77988	14214.56411	13822.52225	19927.9166
0.73_420.0215m/z	420.0214848	0.7299	neg													26683.00721	25223.10292	21117.04744	29211.89696	21091.76061	20601.42509	25579.4436	26024.91455	22312.45528	23058.10951	23669.22949	28688.14833	20893.6005	20251.84284	21759.60501	27717.89805	23618.33448	25691.801	23415.34814
0.73_420.0548m/z	420.0547884	0.7299	neg													22648.60354	21249.76137	14891.81812	22302.05722	23666.47276	48023.35127	20524.14118	13694.58396	22747.32071	45031.96995	20094.72653	19947.54521	15184.13361	14105.1167	8304.61974	19066.69353	11264.75721	8687.159267	3904.858965
0.73_423.9930m/z	423.992979	0.7299	neg													4573.722052	6396.594048	5575.135741	9719.35094	2509.823001	4229.677542	7067.36755	2808.04379	3669.046958	3036.770728	8662.864236	8255.855414	6411.349905	8932.956171	6035.832009	6653.546035	3798.027258	5836.576923	7093.789663
0.73_424.0681m/z	424.0680504	0.7299	neg													17497.99902	15742.89916	16147.96345	6984.086289	23800.98646	8876.701657	30986.73192	7425.781656	4991.419982	30872.70316	9364.585154	12889.48522	17373.16577	19529.12662	11856.52175	13402.75724	12615.57069	2963.333987	16283.63893
0.73_430.0351n	429.0275786	0.7299	neg													79488.74327	77038.66139	82945.26255	120944.6062	41203.74095	63647.08054	39587.0987	106564.0844	95125.03811	47326.06847	69510.39761	159223.0533	61948.42192	56837.16547	72329.05644	75358.33349	82608.92902	112354.1032	119180.326
0.73_430.1201m/z	430.1201192	0.7299	neg													7184.058709	5606.811727	7692.695801	8758.976696	5277.391428	5099.667799	3277.829539	3001.202682	4400.499494	9262.133599	8292.78915	9922.332441	8011.551649	6367.563982	4959.300239	9050.306699	6633.476433	4135.913593	6145.125102
0.73_432.0508n	413.0329452	0.7299	neg													59386.31547	56584.70539	49338.72248	83722.74496	28371.53646	45432.60396	36452.5331	79977.38919	65958.86908	48401.44072	58958.91475	77091.56499	57011.70229	46745.21657	47368.76726	64909.43134	59933.48892	84810.8468	71128.09334
0.73_433.0576m/z	433.0576087	0.729216667	pos													25060.83599	27682.11961	24526.52398	33618.06625	14600.76556	16339.6076	18175.94887	29777.26696	33936.57618	19391.35033	29084.61729	20260.88741	28860.5658	26850.00934	22823.20642	33366.64461	27208.13195	35768.13983	16222.95603
0.73_433.1124m/z	433.1123668	0.7299	neg													28635.68626	28655.62909	16120.86868	20640.81851	27287.52639	21993.27619	18643.03052	67877.32897	54030.0052	25991.34828	27929.4886	38004.6076	18147.67518	14663.34933	20515.57054	24440.00737	22801.1278	21842.78203	22224.46319
0.73_437.0398m/z	437.0398164	0.7299	neg													24702.49049	23317.21825	23401.88377	21573.53954	29222.17865	32402.33145	25564.30502	32621.45745	27837.0778	27597.96969	21043.48835	16366.09982	18819.98223	17451.24083	20476.48779	23695.15592	28237.53	22527.90232	18466.32166
0.73_439.0858m/z	439.085805	0.7299	neg													7170.62747	10269.57357	8566.492676	10006.46777	8760.542197	9623.75375	6157.559412	11002.72006	6227.605176	11509.88104	17545.02751	9212.841346	8571.161546	10937.74484	3903.5904	8749.555758	9551.231138	7728.537422	11046.18859
0.73_439.9198m/z	439.919823	0.7299	neg													19323.35365	22576.72825	20060.04202	28412.17994	14350.72471	16957.23233	18973.8632	14340.81704	11047.84054	10187.6042	21183.87106	17534.54025	18606.61011	17192.88089	21476.06661	29527.85851	20907.30012	21612.73652	19595.2717
0.73_480.1125m/z	480.1124947	0.7299	neg													9856.006034	7721.072135	6587.701986	8191.020689	11947.27653	2976.95652	7646.678014	3727.905369	2313.076024	10325.55051	7322.591433	5150.132802	6570.548573	9509.558002	6934.558297	8122.001835	5066.275074	2821.464248	8949.809209
0.73_507.9790m/z	507.9790125	0.7299	neg													16448.76634	15138.06709	8995.589493	11482.80026	17976.83239	15290.38579	13806.18588	10017.11486	7385.333287	10473.22674	10868.37549	9188.432931	15657.23376	13389.25264	16241.06635	18732.40355	14968.51165	9130.570405	12396.3456
0.73_521.9694m/z	521.9694278	0.7299	neg													9600.511314	5446.402193	8740.031378	14136.81902	0.000297236	0.000297236	9956.735798	6133.698309	3485.464149	3142.022761	8241.832944	13767.69139	10767.55308	9558.493364	6999.66058	6091.926972	7642.898045	8337.141054	10132.53214
0.73_526.0810m/z	526.0810136	0.7299	neg													1285.356838	830.1040819	1100.632427	5225.918296	2506.287719	3921.727112	0.000297236	3884.073162	2104.70008	0.000297236	1170.825701	1278.211186	1853.027862	0.000297236	720.9822786	5061.807626	1716.097315	6107.653357	2270.502908
0.73_535.0167m/z	535.0167473	0.7299	neg													23681.99873	17230.22584	23964.2562	19562.38611	16283.90564	20770.16489	19666.77472	8864.944697	6067.164622	21119.47155	7374.638109	14446.1318	23192.31269	23523.3059	16509.66253	19831.47944	24430.86687	5433.959787	25507.31757
0.75_111.9258n	156.9240117	0.746966667	neg													21986.44843	19914.5729	19527.94187	22051.64537	18380.93788	17550.99244	24816.91975	16832.84668	16041.53819	17097.99311	24887.75302	14535.62625	21677.24221	23740.76411	24361.60026	26391.6439	22303.19774	24067.84981	18170.00263
0.75_114.0294m/z	114.0293714	0.746966667	neg													1142.368987	1208.467866	966.9911327	1248.727607	1381.935367	710.3553487	1296.738383	1762.929709	951.6947771	844.4621869	1022.696012	1455.509823	787.724236	879.6962676	816.3829285	879.3872816	974.7913606	583.0320188	1256.068331
0.75_114.0545m/z	114.0545149	0.746966667	neg													5870.480462	6438.578527	6235.857292	6913.167458	7454.094737	6163.230436	5198.520708	6118.295759	6179.827812	6335.994987	5562.005642	6289.333437	5724.468371	5951.458698	6249.019505	6200.810441	6738.550227	6772.818393	8762.75996
0.75_116.0304m/z	116.0303508	0.7465	pos													7455.745805	6462.297985	6929.182464	7997.25541	6687.436778	5835.388828	6029.72606	6088.937134	5893.448894	6401.570771	6993.534709	8960.684726	7292.894316	7284.545422	6593.230615	6959.230418	8090.648532	8211.05644	8418.344927
0.75_116.1113m/z	116.1113336	0.7465	pos													5478.846018	6236.696788	7249.194944	6689.769569	6317.853015	6491.605703	6769.342865	4979.667221	5236.364799	6062.366625	6750.87798	7651.851177	6661.955168	7933.193816	8392.675623	7321.223135	6398.465125	6643.670358	9360.833176
0.75_117.0739m/z	117.0739364	0.7465	pos													256159.8022	268309.5968	252640.4693	284764.2661	265331.0651	229420.9642	232738.9678	229682.127	214692.1465	225126.6176	250279.8769	312266.7104	250537.7954	270065.0151	287595.135	271791.4756	263981.5321	279750.4987	314272.6245
0.75_118.0774m/z	118.0773665	0.7465	pos													203.2061567	171.0017767	277.4701385	683.5966229	266.7665902	348.0403623	369.7374832	515.020859	436.3187494	364.9941897	315.1382093	1943.254707	637.1761962	661.1183646	237.068191	5.434940393	0.000297236	1852.07573	2873.489237
0.75_118.9971m/z	118.9971133	0.746966667	neg													431.1190307	574.4589051	552.4415932	786.3774433	375.0627423	344.2894706	318.7191153	364.0905994	343.1175742	466.7766625	173.028625	575.9144131	193.8229247	243.6727992	241.8987603	343.3144101	370.7393933	326.4400458	46.52880281
0.75_134.0806n	173.0419013	0.7465	pos													44423.31729	43783.32033	34589.03505	62564.18807	34103.80726	31122.19687	39200.76511	28120.43094	42087.94849	30311.33868	57437.92738	31843.91292	38727.63596	47649.19057	56532.69002	54731.36654	37875.25973	63455.37441	35725.13788
0.75_140.9904n	139.9831573	0.746966667	neg													61057.89398	64176.75749	62800.58821	87258.63769	38937.61211	76597.81838	37103.53576	61256.16224	89978.02381	53188.56425	53569.83793	71428.97023	68814.35576	64389.80374	70083.66676	65712.46702	74692.51387	82832.03702	86674.01773
0.75_141.9790m/z	141.9789801	0.746966667	neg													5459.906933	5550.813109	5952.997169	7603.461535	3183.072939	6315.207431	3183.271658	5364.89385	7535.470466	5118.650589	4017.369168	5748.627442	5271.562191	5351.305639	6422.71342	5399.172565	5427.372023	7084.342397	7050.934104
0.75_141.9990m/z	141.9989544	0.7465	pos													12441.26935	12173.18056	13609.61609	16522.82015	6385.696574	14374.28245	7193.29667	10678.27089	16623.77771	8060.976598	11199.97487	13845.42016	12598.1553	12568.75326	17993.52446	15321.2529	14922.35048	15219.83535	14658.41788
0.75_152.9850m/z	152.9850311	0.746966667	neg													125925.6776	131030.8139	131366.5695	163369.665	233269.6453	47252.11196	185379.5485	95536.67151	17957.25753	58995.2951	182136.688	100703.1478	114544.9411	137084.6229	184519.2824	194750.0391	193144.3602	178267.7884	131788.7182
0.75_153.9884m/z	153.988373	0.746966667	neg													5441.726143	5324.634762	5506.679653	6760.674089	9412.304035	1353.896759	8242.552321	3779.018361	218.0545897	1997.229419	6876.46579	4375.516599	4600.091594	5707.047489	7485.254194	8999.501917	8139.498866	6251.159908	4978.518155
0.75_154.9270m/z	154.9269574	0.746966667	neg													54489.56467	49221.04898	52101.20928	54964.73196	45082.51752	44201.9078	56424.25952	42208.71015	40419.80683	46453.70045	61406.48967	38290.98277	56438.31752	53001.5113	56679.53501	64858.4956	54329.50936	58905.93238	48542.88528
0.75_154.9808m/z	154.9807948	0.746966667	neg													4668.196675	5660.621122	5522.029183	7161.992745	10060.05008	1800.35318	7466.084048	4036.643187	353.5213269	2342.357096	7433.961048	4173.988608	5263.0658	5888.014853	7425.902667	8258.700143	8237.535059	7767.80863	5455.345361
0.75_157.0354m/z	157.0354383	0.746966667	neg													53755.41509	52578.67903	54906.90252	63025.35141	65093.27914	39973.27775	63126.36503	105563.0052	60093.52157	44272.46034	47452.43062	67526.75357	47210.034	49925.56827	48947.69039	40702.61163	46447.92005	39059.10378	59627.19697
0.75_158.0388m/z	158.0387946	0.746966667	neg													2119.606873	2112.593752	2474.27713	2309.334888	2709.416759	1532.3077	2400.894966	3708.050826	2614.807651	1513.266386	1701.260224	2601.504502	1594.217959	1633.369454	1997.374796	1846.178965	1728.435217	1444.845287	2342.674475
0.75_158.8454m/z	158.8454328	0.746966667	neg													4707.550907	3141.07301	5670.221329	4554.690133	2787.887611	3949.327462	3740.190423	3664.804639	3061.981306	4302.300214	5720.27465	3126.85684	4067.450375	4442.277461	4693.999348	5181.314302	5766.212656	4519.572956	3218.155689
0.75_160.8408m/z	160.8407625	0.746966667	neg													85776.24772	87067.86972	90842.00557	92531.53141	88189.41126	83186.71841	117727.7292	85624.71094	76618.56285	88531.9089	123770.5933	70264.28065	87410.21148	91482.23488	105809.2483	99026.54963	105722.1409	101265.0836	77514.42975
0.75_162.8378m/z	162.8378365	0.746966667	neg													84945.17785	90718.88681	88343.82603	91291.87238	94176.83333	84569.61833	114538.7883	82141.63261	78025.95977	84555.30731	124545.8594	64799.3589	87653.22542	93628.45286	104882.3222	98074.06737	106615.6458	94864.98397	75109.23641
0.75_164.8349m/z	164.8348655	0.746966667	neg													27969.9386	22210.40182	28507.96576	24993.75644	22849.52763	20971.27575	30593.43948	22395.71252	20489.90125	26829.38706	32842.12329	19418.68693	27727.9447	28629.26613	27566.29817	30559.84795	35339.20271	24992.98527	23690.15303
0.75_166.8319m/z	166.8319486	0.746966667	neg													2472.688655	1463.576297	1741.210234	2008.434676	1897.412306	1994.125077	1570.39492	1394.599228	1303.730116	1887.240472	2800.087061	1411.415518	2418.967328	1608.066254	1735.599081	2434.353818	1967.235589	2383.262273	1349.289647
0.75_166.9739m/z	166.9738742	0.746966667	neg													7516.642695	7943.519674	7504.860346	7227.167212	8436.404594	8212.147033	10053.87378	9162.608631	11340.72803	9316.169301	10603.64577	9244.216382	7832.479363	6169.453423	6503.693472	5752.177246	6765.269478	6925.573508	9236.410856
0.75_168.0257n	335.042399	0.746966667	neg													3737.428542	3550.154059	5669.048392	2701.436595	2976.876732	4352.836397	1398.869952	4471.528344	3358.806223	4187.38362	1715.648073	6096.920324	4114.01534	4638.781074	2355.31791	2256.56335	5558.190096	2104.636691	6327.272315
0.75_168.9427m/z	168.9426619	0.746966667	neg													1796.653577	1712.522857	1539.430281	2206.236084	1029.180039	2330.563611	1769.610147	1144.485218	880.6495813	1659.769973	1915.938885	1250.962552	1680.223025	2205.520946	1939.221921	2636.150567	1685.172149	1990.00437	2255.646003
0.75_170.9010m/z	170.90099	0.746966667	neg													1457.193318	1528.418394	1398.548053	1549.816974	1179.434325	1673.759762	968.8905751	1011.804633	1855.610564	1103.405133	1682.46842	1155.564107	1699.580527	2161.901691	1984.709336	2040.773497	3338.24333	1887.487048	1285.569624
0.75_173.0920m/z	173.0919925	0.746966667	neg													1970.170724	1555.42517	2210.875926	1213.049286	1684.310053	3857.364591	1147.679642	1283.005759	1488.760092	5774.813594	932.1332254	1491.590901	2325.002654	2550.573991	1120.363006	1903.734043	3994.481888	1308.218026	2277.292759
0.75_177.8589m/z	177.8588674	0.746966667	neg													633.9257833	970.5369499	1059.621006	717.5077977	539.5584852	732.9762675	349.4985789	702.3791712	618.6516776	719.0074567	767.5970863	648.1592742	711.6587954	719.1503707	829.2272777	864.0181711	1070.73786	1052.271157	696.5937663
0.75_180.8584m/z	180.8584218	0.746966667	neg													1204.688865	1287.985275	1180.133775	1564.964903	1333.135319	1470.00394	1536.229018	2010.393851	1500.245073	1588.993159	2312.119242	953.0154003	1671.15297	1600.805428	1405.490385	1518.991184	1394.975506	1817.261688	1720.957141
0.75_193.0125m/z	193.0124969	0.746966667	neg													16229.47438	15315.96582	16111.60241	18041.49039	19661.37325	11249.86354	19445.09866	28142.27843	16601.61427	13155.47293	15603.96587	17912.85745	15668.30261	16961.09585	14446.90203	13848.40234	13778.66781	11335.72075	17839.23921
0.75_194.9363m/z	194.9362704	0.746966667	neg													14538.67924	13379.70258	15692.36636	15222.98585	12521.37437	9683.855975	15910.63429	17194.38666	13372.57691	9712.805788	13659.04755	13836.85285	12909.62644	15541.63198	17113.77805	12407.2246	18790.36967	10704.00287	13512.49422
0.75_195.0095m/z	195.0094632	0.746966667	neg													4694.266114	3739.467744	4661.169769	4876.272363	5105.182133	2994.597792	5817.828417	5739.74071	2730.494078	3720.229435	3851.391645	5118.77714	3997.70301	4514.199344	3613.194348	3801.80241	3353.203953	2316.960791	4825.923261
0.75_204.0553m/z	204.0552533	0.746966667	neg													1338.58774	1384.962193	1115.557881	1287.290925	556.2629964	1729.777186	1021.52287	200.1764021	624.9393848	876.2858539	1754.627009	1319.097016	799.3010995	1093.799063	1532.176822	2156.152982	805.0239181	1406.441022	1183.464634
0.75_205.8388m/z	205.8387808	0.746966667	neg													4224.421444	3711.177554	4662.436928	4228.262772	3640.988064	3170.579021	4987.165409	2978.624354	3164.456248	3391.686414	6887.164862	3246.67254	3989.292509	4061.969632	5727.978872	5722.287638	5531.901954	4796.804071	3218.520345
0.75_207.8359m/z	207.8359471	0.746966667	neg													4252.328619	3669.374566	3899.58992	3823.768056	3331.581453	3157.854752	4470.318003	2899.181651	3819.233077	2062.496711	5468.265222	2887.536541	2730.250461	4448.560265	5718.191762	5133.164472	4690.840343	6053.977543	3410.64118
0.75_216.9277m/z	216.9276805	0.746966667	neg													81509.34026	74399.80448	80699.69467	85432.20759	68581.46537	69700.31606	76736.03684	69531.37557	60263.88871	76846.5727	89805.65919	67575.16609	81540.12529	88452.72206	82305.40575	93914.33398	82239.17439	94987.57604	81849.83965
0.75_217.9348n	434.8650386	0.746966667	neg													11335.281	12008.0965	11095.4999	14748.26279	9286.384815	9184.566933	10580.37894	9148.79368	9213.571091	9489.817006	13665.49915	10004.92318	14393.08651	14785.15734	14965.77375	15814.31057	12388.12806	13949.69647	15652.29202
0.75_224.8386m/z	224.8385894	0.746966667	neg													2565.001195	2735.606847	2723.818554	2211.238252	2389.2291	2392.019384	3086.91757	2616.27648	2373.795057	2412.68784	4175.701856	1952.926644	2562.576604	2907.002332	3905.542342	4357.442774	3237.623739	3375.726036	2732.941372
0.75_225.9845m/z	225.9844508	0.746966667	neg													4545.026445	4012.925701	4533.219803	3483.521647	2212.358274	3199.003406	1554.662938	7860.536751	10723.7092	2492.845734	1704.303399	5661.375508	2571.926072	2342.003266	2729.261	2292.495302	2874.058761	2050.1287	2777.588362
0.75_233.0070m/z	233.0069892	0.746966667	neg													31124.2976	28854.84242	30120.18028	32028.57254	28892.42974	31669.62933	27426.86492	36709.05764	27244.13755	28701.32868	28516.13835	35265.97016	27745.71013	28132.29262	27866.34427	29659.63386	28834.22265	29109.49539	30749.9708
0.75_236.0229m/z	236.02293	0.746966667	neg													82273.47192	81191.21185	79921.13489	65307.43439	88656.0575	109123.7407	131508.0015	45788.79927	54250.78268	160532.1782	90250.71945	41872.5449	95261.98008	119220.5342	80200.76559	72169.30753	88740.30055	43806.84365	74749.98394
0.75_237.9609m/z	237.9609435	0.746966667	neg													8956.932748	6455.927008	6739.805374	9199.191845	3776.702301	6595.581384	4371.147119	3007.826319	3225.083685	5319.172262	4037.684677	7008.649137	8170.960386	7673.632723	6557.00825	7316.284756	7231.671673	3600.615403	8616.798659
0.75_242.0513m/z	242.0513284	0.746966667	neg													10568.59787	7223.419204	9505.008024	9067.827137	7531.978594	8695.236258	10446.07681	9062.693712	10835.41288	6780.633846	10855.45978	10434.10004	7967.800384	11135.9567	8665.391945	8668.389714	14241.5926	11348.7614	9112.472657
0.75_252.9050m/z	252.9049658	0.746966667	neg													5000.635024	4902.687305	6022.250015	6887.559411	4431.889661	3860.124976	4944.438855	3949.868414	4233.683962	3723.698346	7517.509759	4372.602149	5608.11095	5881.50787	6363.598081	5919.929612	5599.889754	6241.989807	4765.261623
0.75_254.9021m/z	254.9020503	0.746966667	neg													1040.546791	1364.282557	1057.433617	1663.083386	1329.369485	1402.02786	1960.262864	921.7916782	743.9881406	923.2637604	1691.475755	524.1306145	1197.190369	1258.458978	1427.952806	1717.13614	1621.036963	1363.888366	1156.569821
0.75_256.0590m/z	256.0589543	0.746966667	neg													453286.897	431966.7899	472064.4506	434645.883	382161.1133	425891.3997	449159.742	404814.1076	477899.013	486918.6067	460551.1354	428966.9763	497824.7706	511046.8421	475320.7253	434079.3364	502007.5067	522643.0494	578091.264
0.75_264.9991m/z	264.999101	0.746966667	neg													6490.024765	5073.536487	5999.125366	6277.503268	3560.16229	5758.705236	2065.440112	4500.621006	4061.948168	5670.996805	2621.166625	5990.958372	5735.66253	4970.744425	4694.134667	3929.233256	6408.383229	2812.453425	8562.565224
0.75_266.9846m/z	266.9846476	0.746966667	neg													2180.466287	1232.947722	1870.132193	1219.496205	2334.095713	3221.437575	1557.403059	1424.750659	862.9059532	3074.303137	1389.655778	637.8483321	1908.488577	2300.665583	1236.379879	1514.299588	1567.043757	1838.410042	1443.095411
0.75_282.0516m/z	282.0515642	0.746966667	neg													4441.330404	3202.845658	2705.122162	3134.279564	5117.222886	2918.327392	4065.08284	14564.71085	5922.612868	2094.525603	2068.520953	4360.733523	2548.028471	2729.880724	2049.055344	2706.023447	3345.235406	2491.788095	3898.62432
0.75_283.0781m/z	283.0781232	0.746966667	neg													71551.69441	66458.22118	72603.98138	67086.52733	56590.27018	58955.7224	79978.92078	56649.24191	69755.91005	66139.65559	85095.80553	64779.21158	69824.47932	87382.66523	71293.94451	68984.86542	102520.2752	90928.01965	90409.02534
0.75_284.8423m/z	284.8423264	0.746966667	neg													10125.96213	9073.751339	8371.545366	10460.81265	7381.925119	5630.2304	10555.2915	7450.336338	7404.013241	6957.142696	11038.51361	7793.55458	10973.42301	9967.06792	9826.625531	12368.00928	9176.138985	11369.38707	8175.354462
0.75_286.8394m/z	286.8393972	0.746966667	neg													2100.862136	1653.481354	2687.130066	2134.158774	1059.757027	918.1299436	1907.695943	1826.402454	1609.91757	1451.675517	2673.445674	1545.069317	2662.137279	2299.669978	1550.927269	2823.697175	1965.313389	2683.141414	1770.848365
0.75_290.9652m/z	290.9651566	0.746966667	neg													2685.165105	3412.200338	3557.777612	0.000297236	7981.529129	1414.953112	6211.928168	520.5082356	341.2627524	6407.460158	3231.983548	216.5122755	5340.75922	3760.205652	4428.182342	4275.680655	4478.459441	1246.646039	1393.155019
0.75_293.0552m/z	293.0552235	0.746966667	neg													15167.34581	16313.23934	15926.79882	10748.0385	20406.05524	23216.91022	9965.713307	54738.96432	23808.45421	23767.05811	10207.15553	15374.92971	8002.577034	10412.57509	7912.642706	9694.355312	15605.11757	9787.755741	8560.147306
0.75_300.0087m/z	300.0087076	0.746966667	neg													22843.15303	21174.77697	20673.50325	14095.31555	19355.39491	15105.23927	18856.72708	20612.33245	26989.44889	28476.62071	19952.36693	19604.29419	21607.73662	27849.52545	23094.25992	19318.87888	24166.51309	20625.24393	27787.45995
0.75_310.0779m/z	310.0778554	0.746966667	neg													8957.110181	6518.160799	8822.702331	7602.20956	8631.11613	6480.194874	7533.917162	9493.757021	8849.327909	8945.425427	10075.8843	8480.329184	8167.14336	10455.60415	10998.38144	10491.94066	11526.55548	11267.58647	11528.61813
0.75_311.0012m/z	311.0011759	0.746966667	neg													115808.1833	128420.9117	129898.2523	175126.9311	79864.15706	127962.0996	75839.85631	193195.4373	197086.0451	96332.40446	113487.9485	223081.4068	94313.52091	84629.1007	103359.8184	99220.80387	134073.0606	162819.2139	187471.4492
0.75_312.9959m/z	312.995915	0.746966667	neg													11329.36481	11011.16179	11111.3691	17818.55409	7795.471074	18399.81243	6022.43131	16940.46789	16814.43124	9885.324107	11978.10832	15893.15797	7263.693206	9611.290579	9240.20861	11554.81558	11204.33444	15574.39116	10100.25672
0.75_319.8111m/z	319.8110794	0.746966667	neg													1283.921661	1603.152319	1023.836197	726.0751139	396.0141063	1135.438955	1658.439581	506.0133545	970.2337079	565.2909459	1176.716461	284.3903125	516.6358373	1177.549489	1617.187587	2210.114183	637.5431662	3732.234592	289.556224
0.75_321.0243n	302.0064743	0.746966667	neg													38163.27482	43831.92028	39505.24598	32167.67945	41150.96604	32626.9195	38795.44871	40582.94876	39658.51479	45121.60538	42650.68504	34204.27365	43528.27107	47300.80484	43081.84525	38091.76045	41910.95674	39340.1366	45406.37291
0.75_328.9208m/z	328.9207922	0.746966667	neg													9040.50418	8794.892798	8640.358708	15463.96595	6759.263647	8569.215492	9050.097999	8163.011164	5926.702566	8435.025231	10855.17618	4783.475662	8437.899835	8828.390444	10163.74644	11875.48692	10208.97424	11986.76747	10286.88571
0.75_330.8790m/z	330.879021	0.746966667	neg													11504.35869	7195.388789	8832.22186	7113.457544	5792.998056	1731.524835	6243.466422	3455.597341	756.3968972	8976.448332	4062.633188	4564.847537	7639.554328	9639.029967	7160.164477	12960.98419	5885.329132	5757.712389	10488.67056
0.75_332.0206m/z	332.0205801	0.746966667	neg													2142.565011	1593.759886	2443.712387	5.280912417	2122.346184	1697.791022	1515.248379	510.4890041	1315.12234	6215.950615	2180.836382	167.9533206	2655.545	2922.551315	1524.420709	419.5727609	2422.158047	24.00762712	998.1067399
0.75_332.0749m/z	332.0748751	0.746966667	neg													15585.69089	16054.90694	13970.59933	17532.84712	12150.09573	18077.50864	14889.75305	12656.80268	10519.37231	16522.51963	12280.04603	16101.86951	17721.06488	13021.38893	18160.84956	18792.42979	18550.95395	18335.56834	23067.59887
0.75_332.5614m/z	332.5614376	0.7465	pos													15370.62702	14614.02324	12020.83371	9855.807809	15369.8446	13319.93974	19544.95908	4392.018234	3826.045186	15417.51466	17700.35875	7695.88902	9600.873253	9766.178944	20646.70965	13299.75136	16492.82031	14092.79591	10152.70193
0.75_334.9916m/z	334.9915724	0.746966667	neg													2893.128416	1727.367663	3044.203552	3482.022677	1822.644914	2773.209155	4715.693937	1501.139812	2704.264354	1407.102456	4876.60491	1578.956804	2464.991736	2257.897628	2621.450723	4222.741462	2220.438806	3557.905312	3975.844709
0.75_336.0971m/z	336.0971028	0.746966667	neg													2565.434017	4551.88396	3638.81209	5220.454869	3668.768617	2202.344164	4773.589925	8076.966898	5762.7658	2697.241081	6596.477059	4796.852368	1488.602809	5393.4551	1778.2994	6316.660244	3384.608082	6111.799282	5594.090115
0.75_337.1601m/z	337.1600677	0.7465	pos													102259.4321	116636.3615	98706.61674	118164.9279	85400.04837	93328.67469	97217.17448	74521.06026	73575.61796	91247.7056	84422.66366	112816.3913	120854.7165	120477.1104	113604.3677	115955.279	116191.4917	131071.0899	153008.5278
0.75_339.1104m/z	339.1103616	0.746966667	neg													1620.984972	1294.763097	1130.253372	0.000297236	2934.258294	776.6670725	1132.533537	0.000297236	906.6729701	3003.976822	0.000297236	0.000297236	2402.656159	3803.009756	2283.135587	0.000297236	1115.879988	215.8803384	2017.40322
0.75_342.0594m/z	342.0593566	0.746966667	neg													8167.483808	6581.274863	9540.773692	6423.791518	4981.380016	4472.556146	6360.379989	2842.866815	2978.625448	6691.569859	5701.723556	5364.756666	7415.496837	9148.444731	6190.436996	7295.25253	6821.695132	3095.796606	9135.611163
0.75_342.8011m/z	342.801135	0.746966667	neg													912.1072234	915.0832114	641.6993833	798.6799497	859.361949	594.0002947	1031.213669	0.000297236	823.5414677	0.000297236	912.7466491	711.1210003	1244.925399	1564.945756	830.1545307	1552.207482	791.6444103	1379.226504	0.000297236
0.75_346.0805m/z	346.0805477	0.746966667	neg													9691.132662	8417.994174	7468.594482	9545.433871	8446.234156	4530.378952	7926.13886	17871.46133	12799.95584	8905.883674	6959.596264	9933.621743	7171.170866	8716.109526	4828.6931	7663.662683	8099.029676	7431.184957	11435.92741
0.75_346.1968m/z	346.1967636	0.7465	pos													101498.74	98220.78768	87351.80493	67652.97013	69569.21975	73093.34153	98604.71404	72796.10018	121787.2785	90041.09282	80850.57624	160979.5414	98114.8812	100871.0858	75835.67176	78624.30359	99204.99019	77225.88736	81019.46987
0.75_347.0745m/z	347.0744934	0.746966667	neg													5677.383728	5177.455657	7049.753701	6753.623567	3557.47048	4074.259941	6070.521252	8080.465095	6326.508362	4885.710721	7533.162194	10693.73641	3044.553096	6679.061215	6147.220395	5303.066187	4301.912294	5372.020632	5125.5929
0.75_350.0774m/z	350.0773885	0.746966667	neg													3437.804064	2490.386853	2062.542023	3641.053621	2049.550899	2937.125306	634.9657554	3145.361396	2497.803384	867.0786447	4032.957948	2922.070105	2120.464448	1995.195414	2348.007803	3419.045494	1826.425115	1813.357909	1418.763408
0.75_355.0545m/z	355.0544735	0.746966667	neg													12649.20345	10278.27194	12333.38588	7342.705919	10776.15555	14676.4673	7570.060852	31607.57042	13345.66687	16466.51656	5463.159574	11717.12058	9759.631074	11404.5874	4096.009047	10093.69107	14108.9621	4359.579355	9357.657885
0.75_357.9183m/z	357.918341	0.746966667	neg													19943.23103	20926.07594	15979.2815	25251.13409	10853.45877	16099.94309	15701.3163	8692.509385	9117.358339	9458.127067	15410.60536	14514.11735	13842.00615	15663.218	15950.01026	25618.45445	15197.61911	16554.82571	17255.36401
0.75_363.9251m/z	363.9251442	0.746966667	neg													4316.583638	3528.102643	2915.004272	3801.506065	2706.879809	3021.987519	3046.136881	3425.286852	3017.181071	2427.538052	4262.182988	3477.643441	2459.40157	2054.585861	3118.117451	5271.098148	4441.055152	3200.069026	3479.5218
0.75_369.0430m/z	369.0430058	0.746966667	neg													93812.62681	92937.97503	97506.17495	110729.7498	56500.39987	112911.6486	66291.72796	103784.7674	95130.65731	72098.20119	99492.09209	148134.5278	92376.38933	90053.27788	110863.9193	91551.5936	110021.2561	106253.0831	113153.3707
0.75_374.0774m/z	374.0773737	0.746966667	neg													13445.08971	10595.45887	15211.87747	15955.5023	15613.70856	6368.08614	15126.16991	3882.938774	3614.444299	12074.60491	13413.62639	6739.843357	14735.71007	16038.89721	17010.51372	18736.39735	18029.66023	11319.97807	14273.38143
0.75_388.9423m/z	388.9422688	0.746966667	neg													4369.627186	2718.270289	3890.62085	1196.295356	9168.202544	2008.929895	5974.819251	0.000297236	0.000297236	6239.075538	3751.540794	0.000297236	5817.644497	6384.884908	6157.37802	5043.854447	4636.896534	0.000297236	3221.239687
0.75_393.0392m/z	393.0392237	0.7465	pos													11571.54516	12216.25194	9828.999237	12818.34212	2515.207934	12388.31116	8474.822823	10030.62723	9011.622664	5956.173463	7576.986646	9789.51037	13299.35476	3180.35563	11188.95598	9200.012553	11283.2301	12281.71919	12872.24577
0.75_406.0114m/z	406.0114088	0.746966667	neg													1137.69615	1618.839092	1381.222843	717.7214298	1592.229769	1582.386229	2555.505756	1023.09162	1586.152587	2331.239862	2725.59735	1416.473481	1491.696002	1250.287646	2623.695825	2011.780185	0.000297236	1401.176581	1409.616934
0.75_406.1118m/z	406.1117866	0.746966667	neg													4478.945094	4195.776217	4806.908752	1680.337927	3889.650491	4808.010519	6731.946329	1970.651333	1646.893261	7799.84015	2411.784858	2412.098175	7451.671134	8850.546176	6542.702206	3390.644685	5977.803661	1615.82664	4763.571643
0.75_412.1102m/z	412.1101927	0.746966667	neg													40380.94628	41322.3343	38452.2945	40865.45885	36870.80687	25798.57012	31634.85596	31942.12557	25980.73434	37237.26912	39376.98256	51912.09689	36158.84589	43047.70263	40134.19697	46824.1291	40356.03983	38177.23865	41606.88206
0.75_412.8825m/z	412.8825254	0.746966667	neg													33019.06011	27974.98883	25095.35678	39115.10699	21125.0342	18911.32326	24632.86461	24847.38619	27706.24423	18710.2527	35944.10055	30309.20049	33465.39434	33356.59495	41699.80341	43305.66363	32591.50874	55358.29723	30108.19668
0.75_421.0053m/z	421.0052927	0.746966667	neg													32413.44981	29370.12507	30776.24552	24177.96024	35038.3523	32896.47521	37442.17248	41024.27032	37125.92188	40314.51388	30994.8596	34032.39991	33628.74669	31351.20196	28739.13236	31482.6514	30802.4688	22944.04569	26935.96581
0.75_424.0354m/z	424.0353835	0.746966667	neg													9582.568099	8148.655492	12197.49671	6426.067896	17106.89259	21647.6586	4903.165684	7360.986215	5415.454797	19090.46603	6799.281086	5595.524244	15329.19294	13438.21247	10714.18063	8712.026096	9029.091905	9453.885985	12897.65635
0.75_424.1268m/z	424.1267814	0.746966667	neg													3906.299264	2585.846888	2412.008887	3781.990106	3190.840057	2204.779349	5967.027258	3653.02278	4120.009768	4776.419837	5173.900973	4676.476851	4720.510814	2002.254736	2712.148365	3812.089885	4950.183196	4026.504466	3101.092634
0.75_431.0420m/z	431.042	0.7465	pos													49756.79714	41655.86844	43798.86029	62493.68804	26106.69128	38321.2126	18475.21275	55965.14906	55349.11494	25124.17815	36049.98819	90025.926	34745.045	36576.75398	38816.80211	34798.69001	51665.90283	57189.24201	61091.75275
0.75_450.2077m/z	450.2077199	0.7465	pos													12769.65897	13709.79299	12862.86592	8262.816558	5853.336066	8726.935431	11243.77704	6663.285844	10673.92709	7212.972352	10777.48138	28274.90237	15785.53465	16538.36948	9358.96251	11742.57702	11195.98079	20624.44768	20964.51504
0.75_662.1016m/z	662.1016476	0.746966667	neg													6686.715601	6440.325324	5778.889497	11047.90046	9109.477261	7062.349685	13289.87104	2954.721977	3037.534764	8907.650321	6392.100453	2040.98596	7660.761339	3677.651304	9832.508868	3888.090714	9026.504209	4890.497705	5517.313563
0.75_760.0781m/z	760.0781065	0.746966667	neg													13076.07555	14845.60912	9527.464416	22651.16999	14991.64814	17156.33968	22053.3135	8378.369463	4218.733778	19695.53817	14481.47158	5380.818205	13885.67146	16371.61813	17759.79539	16627.71619	16540.84923	7343.44028	14894.80659
0.76_105.0178m/z	105.0177784	0.764266667	neg													16881.33559	19455.96528	20206.26106	21669.39536	14759.39796	26808.28565	15150.55526	10577.22264	13421.45599	18619.96813	16585.82871	15794.7888	25459.39746	16982.22242	18839.86366	18394.00371	18685.02184	23270.60974	23458.98936
0.76_112.0389m/z	112.0388827	0.764266667	neg													5508.599525	5237.628117	5498.535608	7417.49602	3931.962494	10500.20998	5535.610682	8476.058686	8975.03244	5842.112643	5490.261031	5050.845986	5825.080945	4784.883734	4131.771206	4520.901075	6079.733009	5393.473464	6558.314881
0.76_125.0164m/z	125.0164258	0.764266667	neg													6728.130548	6673.758638	6568.815475	4573.13401	11526.84846	11766.38777	4070.934594	12867.94952	6694.627262	11726.70738	3998.468509	5644.307146	6258.521593	6558.196126	4848.778557	4405.937574	5184.298966	4637.835052	6014.192343
0.76_126.0549m/z	126.0549256	0.764	pos													3366.062355	4838.870973	4438.250505	4645.551915	3760.711367	4747.5939	2051.569979	13689.00726	9009.952638	4161.602529	1331.470112	3196.465399	1871.857068	1615.471664	2157.888476	2194.404092	2520.214549	3057.071989	2198.934263
0.76_127.0389m/z	127.0389488	0.764	pos													5341.489448	5070.806015	5242.395243	5594.984311	5694.836244	5146.339631	4325.888916	8836.764765	6693.836711	5805.276399	6246.401962	6333.640234	5856.771307	5188.187547	6182.236429	4381.451285	4031.350237	4410.519849	4029.692131
0.76_132.0112m/z	132.0111941	0.764266667	neg													18709.68205	19916.51875	20322.75852	15767.27531	31634.44972	23437.99061	28926.75371	14126.15569	18068.44097	31851.04783	19607.57719	12742.96324	22360.64889	22713.77651	19707.11592	19282.28106	18225.55309	21354.89477	17901.15227
0.76_134.0069m/z	134.006919	0.764266667	neg													753.1365891	655.1657392	939.8163216	694.0506002	960.9385246	952.4523533	1164.630242	506.0962969	600.866079	1308.576064	800.0734307	588.352261	1006.355176	902.7352425	686.1062567	582.967953	784.7810444	815.8118673	832.5514845
0.76_136.9162m/z	136.9162477	0.764266667	neg													774.5984936	690.7498432	543.7493914	735.7443817	367.1490305	580.3948176	465.0456526	499.7154808	397.3700918	626.3371578	797.0624964	556.3080411	525.7921767	547.8324341	745.8527878	971.7736983	796.0405913	716.7442707	570.2097321
0.76_143.0336m/z	143.0336189	0.764266667	neg													1112.396957	954.878276	1023.181777	631.5521426	663.7838419	804.6872797	541.2094802	694.9074983	687.793596	773.4470842	492.6944856	1286.783806	685.2181751	1005.080526	825.0533401	905.6838114	895.1139361	723.7213941	668.6278911
0.76_150.0476m/z	150.04761	0.764266667	neg													262.6207702	323.3581329	251.4592018	331.7346257	427.4063732	542.7917908	111.789777	249.3166568	369.1517878	537.2184945	197.7937217	464.9833863	271.6067863	361.8661706	250.6804625	229.1917006	297.2010711	182.2809858	156.2201334
0.76_159.9641m/z	159.9640555	0.764266667	neg													868.099191	666.8069976	1026.842354	634.7896357	514.110743	533.6155492	819.7748034	358.64533	426.6157124	800.8212504	791.1627525	685.7596138	787.6230193	1232.272697	920.3531465	956.3128535	1428.571099	658.0191495	827.1308327
0.76_160.9642m/z	160.9641917	0.764	pos													14304.17471	13153.05366	12340.6476	14355.12225	11817.03829	17384.97588	12531.90789	13870.31696	15082.86643	17312.18224	7990.360169	10815.8999	16102.29233	11969.18296	8120.588345	8703.081027	14936.87352	12726.21978	10963.75445
0.76_163.0236m/z	163.0235805	0.764266667	neg													46762.12364	52468.64648	53223.97477	63144.85933	55209.52993	37147.14136	65048.89116	38842.8955	32609.96371	36927.30323	62020.24848	77518.71722	49501.42065	54862.33775	49021.67204	55370.0317	56658.40853	60101.60655	48699.22495
0.76_170.8697m/z	170.8697193	0.764266667	neg													951.0577002	607.8351521	668.4789619	718.9274511	487.4341328	698.1762518	707.9224542	726.8464944	510.037541	592.0675495	950.62319	710.1279152	946.9915932	855.7782618	817.7964917	898.1860518	815.963745	910.2683611	486.7113243
0.76_172.0241m/z	172.024119	0.764266667	neg													563.6633539	594.7890236	573.4809358	498.1890435	143.0820156	476.9221783	113.9950246	469.3449652	180.5217969	0.000297236	352.2990817	1287.62599	357.9561212	133.1597204	420.2777074	442.069808	352.6969631	789.6875718	398.1545542
0.76_172.0604m/z	172.0604042	0.764266667	neg													483.0646469	479.6298138	328.4736284	802.2248865	97.67058386	191.7204413	95.09678203	1056.526445	492.0814097	265.3813699	130.5991362	892.1199696	79.87115587	95.97150056	148.3820922	261.6717401	123.7135142	1088.395251	339.5597586
0.76_172.8668m/z	172.8668374	0.764266667	neg													628.8218754	518.9389282	451.3924561	501.8687275	158.6306088	468.6322159	540.4612548	337.3436821	319.4393257	395.8190708	605.2540276	360.0660288	423.6752088	764.2203991	536.3322091	660.2281867	611.5457916	510.3884557	339.9607537
0.76_173.9960m/z	173.9959558	0.764	pos													1485.380132	2076.447929	2170.972099	2314.03831	531.7352314	2750.138011	470.4734827	2538.725757	2999.713637	3056.816865	1161.157411	2275.985198	1938.72932	2281.998971	207.8340021	0.000297236	2344.017354	1125.986723	1759.736728
0.76_177.5468m/z	177.5468129	0.764	pos													20355.262	18892.69483	16871.7851	13883.06583	21359.05675	19036.75369	11776.94237	12938.41835	12203.05945	23292.89327	16465.47944	14224.84425	22876.61375	20827.63906	18866.66392	23473.15323	17529.12852	21490.46247	18113.72593
0.76_178.0487m/z	178.048656	0.764	pos													2307.527134	2125.514193	1920.266171	2089.2166	3046.558451	2406.524536	1883.850168	2312.829123	1442.815095	2484.6537	1777.349674	1601.356275	3221.329159	2862.100691	2811.676893	2356.1747	2894.781771	2619.345235	2080.115512
0.76_183.8856m/z	183.8855581	0.764266667	neg													1293.188075	1153.331782	1426.110119	1138.648897	1054.997577	1270.390465	1050.970378	1259.6804	1074.458814	1022.124942	1171.077917	1472.725679	823.256368	1319.017404	905.8764207	1241.545689	1414.854215	1420.932554	899.1399257
0.76_185.0547n	186.0600897	0.764	pos													37236.20769	40784.40951	34422.94209	31066.74339	40776.67681	43002.1966	24095.26531	26677.66102	26410.29816	40169.56434	34313.0023	35853.77008	46215.87107	40804.98617	38941.91328	42528.3244	34487.41267	44087.84968	40029.829
0.76_186.1058m/z	186.1057744	0.764	pos													7286.433648	7383.171073	7275.211914	5363.597592	13647.66845	12298.06645	5888.563764	3323.204277	3987.446406	12445.39109	5173.933499	1355.768207	9415.602753	7380.353076	7703.818325	6026.42891	7405.262655	4217.599713	8817.214509
0.76_186.5619m/z	186.5619484	0.764	pos													4813.829176	4777.521183	4373.921875	2719.131745	5191.942188	3799.003373	2499.198985	3044.977441	2767.172588	3911.029616	3939.67435	4046.503212	5118.861285	3881.680718	4025.459126	5014.352995	4129.886563	4590.953071	3484.123712
0.76_186.8645m/z	186.864509	0.764266667	neg													8018.158517	6448.339198	6854.645638	7028.05713	5368.580366	5814.064383	7922.313858	6615.272858	6056.393662	6381.837781	9349.485341	5888.061268	6540.207684	7970.840433	7971.88818	7976.402673	8120.102623	8086.664316	5921.714443
0.76_188.0006m/z	188.0006247	0.764	pos													10141.53513	10895.59925	11337.85114	10709.51457	11730.17089	7955.956513	9056.912735	8369.107993	7695.49742	9753.869802	8369.76921	4984.284978	10451.91053	10658.90561	12411.0353	10583.16238	11134.84099	11639.72676	10825.89891
0.76_189.9701m/z	189.9701411	0.764266667	neg													3615.366309	3408.025344	4178.422527	2879.539482	4638.263193	3910.407251	4822.46027	2605.655142	3147.134991	4898.987749	4028.178272	1998.631838	4026.9614	3968.619257	3492.786315	4025.825076	3398.882447	4333.972524	2990.538538
0.76_189.9880m/z	189.9879538	0.764266667	neg													793.8060284	864.7296258	581.1250153	1402.737697	320.5151641	509.4364867	1077.112805	236.7528581	327.4178715	685.8195391	1349.355907	678.9902601	1369.328133	854.7671315	708.8736163	1136.088818	730.3227569	1021.645968	914.4797612
0.76_190.0170m/z	190.0169548	0.764266667	neg													18534.78932	18396.97527	18674.70728	25366.36055	13881.79929	32460.01614	20071.46066	27659.48967	29449.5331	18739.18082	16347.08212	19166.83158	19717.61064	16935.54935	14196.68363	15588.55855	19612.2661	17744.67945	20549.85405
0.76_191.9672m/z	191.9671524	0.764266667	neg													2235.213905	3075.358718	2117.644053	2332.663655	3182.438614	3120.784183	2700.9967	2675.133493	3185.968353	2382.38969	3065.913388	1951.419237	1769.306095	1929.326941	2516.249498	2235.292622	1894.333964	3456.600631	1932.522913
0.76_192.0326m/z	192.032591	0.764266667	neg													28859.06937	30331.6606	29526.41818	26548.04426	33680.78662	33602.47759	27073.48199	25544.87932	21697.99058	41435.22661	22470.03942	27276.80733	28493.49596	34347.79875	34101.86953	32753.81014	37022.76234	20906.81315	26386.16299
0.76_192.9792m/z	192.9792441	0.764	pos													5308.403772	6143.225038	6801.713989	4277.45923	7470.250313	3992.769734	6536.948446	3407.239077	4918.695154	6368.227453	4607.160732	3483.699452	7592.336412	7102.418346	9939.187547	7676.497065	6853.720558	6384.038928	6656.81259
0.76_198.0728n	179.0549945	0.764266667	neg													67924.1476	64470.31392	82080.92245	66454.63797	85726.93327	72306.79823	64308.1084	116812.7942	78951.1846	86775.62651	76307.21159	112278.5406	64153.77603	73423.50233	55758.75998	55431.44682	72790.84436	58348.45114	69850.06074
0.76_201.9908m/z	201.9908127	0.764	pos													27945.39931	24230.70125	27965.16559	26855.37372	22503.30496	35128.65232	24356.015	30409.16516	32093.68867	32418.6429	16676.39756	19496.38237	31167.75145	25577.70953	17084.89662	20060.33312	28527.50253	24864.42448	23404.85333
0.76_212.8861m/z	212.8861089	0.764266667	neg													1936.957501	1984.465654	2294.839142	2435.95118	1897.500859	1726.824002	2215.655919	1678.198606	1658.028442	1777.849978	3536.725527	967.8017865	1903.839691	2124.181464	2718.767291	2872.326978	2510.071768	2575.890111	2079.668112
0.76_214.8833m/z	214.8832974	0.764266667	neg													1020.233846	899.895411	1388.960611	1063.382029	703.0052711	787.0569088	1207.25187	453.3732705	355.801649	1378.128321	1649.027121	544.8432817	1316.746761	1354.165551	1216.440174	1511.050603	1428.624749	1090.414517	932.228743
0.76_216.9184m/z	216.9183874	0.764266667	neg													24988.58275	24908.40122	25896.71303	27771.85737	23331.8624	17116.26778	28721.38837	33855.02418	28180.65987	19243.82686	28703.52248	25208.60555	24242.5501	27304.55348	31826.61607	24016.70686	29398.97069	25159.07573	20768.32134
0.76_221.9021m/z	221.9020623	0.764266667	neg													3516.395015	4232.238861	3806.217842	3863.337139	3386.299596	4319.917415	2923.662106	3594.0928	2990.298194	4204.812892	4486.852492	3517.231242	3280.836394	2967.637005	3791.996674	4433.033265	3961.272869	4270.688489	3483.037283
0.76_222.0133n	267.0114063	0.764266667	neg													28258.68714	28013.93468	27899.04101	39292.62066	15346.29081	30623.62182	19005.98252	29795.90528	43597.03224	22834.73515	30006.49623	47694.69033	34437.75977	18571.91313	23146.81893	16409.18148	17332.00295	45299.52259	21406.29026
0.76_222.1236n	245.1128674	0.764	pos													52006.57309	60555.73578	54145.58139	54118.95597	65788.21655	50616.5871	57147.44325	27851.93844	41294.98906	64984.985	55982.39969	36878.12313	79957.90342	75700.70351	56378.01082	60960.3724	56065.69527	45565.49365	70221.9028
0.76_224.9775m/z	224.9775253	0.764266667	neg													1289.623186	1091.681081	1737.236145	2176.693128	1059.811323	1899.602164	1128.577652	735.4355402	1001.027234	1280.919175	1861.976222	1024.163886	2334.080696	1439.895196	1742.137496	1579.285356	1341.547424	2053.344552	1938.96059
0.76_226.1183n	249.1074792	0.764	pos													98072.2513	100064.4457	96568.43997	90182.27392	129388.919	108012.3429	91282.04201	84351.61416	86335.44159	107368.072	91772.90309	113726.8722	92213.04853	95399.11792	100555.8142	93866.30029	92517.33642	99287.33103	93314.77818
0.76_228.0806m/z	228.0806183	0.764266667	neg													14781.30227	15001.47487	15036.20209	11114.889	23668.23941	25752.70495	11037.59481	11112.75438	10036.79283	24839.13834	10297.88659	10036.77027	16563.11769	17185.09922	13853.97934	12585.69745	16608.85301	11221.16896	18010.7992
0.76_229.9889m/z	229.9889113	0.764266667	neg													11754.07409	10127.62099	11900.93693	9006.500253	17051.19976	12023.88783	14341.13486	7650.075561	10484.07744	16237.88558	10250.07837	7494.633578	13288.11229	12187.36491	10324.3807	10540.26183	10437.56768	13583.48474	11311.74101
0.76_232.1290m/z	232.1289778	0.764	pos													1925.616562	2815.402246	3412.895519	0.000297236	3034.07416	1342.721763	5568.904998	354.2420444	0.000297236	2238.029316	1486.98309	0.000297236	3272.246582	5529.747928	3863.95173	2541.589481	2515.395416	413.6365904	1470.05781
0.76_242.0151m/z	242.0151371	0.764266667	neg													2756.095966	3292.085837	3751.43595	2642.755566	2564.405289	3195.893984	2681.40319	1983.576109	2447.879251	2456.57024	2608.881447	2684.950707	2765.231152	2567.26387	2979.859742	2846.734628	2840.751715	3536.412338	3320.383264
0.76_243.9566m/z	243.9565646	0.764266667	neg													3767.645681	3032.368564	3351.286911	3609.221144	3101.035525	2383.442152	2709.336896	8846.902774	5736.911055	2468.681894	3938.488234	3432.178287	1961.785846	3320.276937	2997.938131	1900.292472	2538.082065	2173.265487	3095.516017
0.76_244.9505m/z	244.9505423	0.764	pos													18803.11598	23104.32235	20428.40655	16446.43027	29169.62506	12220.15886	22193.47838	10204.55268	14026.34789	19048.14712	20646.25355	8244.724347	23419.36215	25021.69698	27696.50761	28827.31824	19523.29279	21095.59252	23598.92222
0.76_245.0122n	290.0105263	0.764266667	neg													14346.3396	12445.25086	12240.74529	13700.56987	13891.96431	14283.52197	10876.89417	12991.05538	10640.67112	17662.24868	9360.468763	13002.40135	15033.82964	15752.24424	16226.69283	14996.5019	15922.53813	10553.58227	12549.99607
0.76_252.0113m/z	252.0112995	0.764	pos													8355.225305	8407.1682	9189.2278	8710.373576	2728.492556	5739.917015	9903.388258	9546.078279	10395.63457	4444.763263	5960.692181	6403.700667	7743.524614	3823.838751	7702.140598	6986.243558	5487.380667	7358.07859	7655.788456
0.76_252.0183m/z	252.0182658	0.764266667	neg													1203.654042	1178.898634	1026.638214	1287.247244	1284.909139	1205.569648	1214.879124	3709.461837	2097.271892	1087.665307	696.3445561	2163.457195	934.6092261	617.4513368	767.5981284	801.8471006	1069.836557	790.7527786	905.3877334
0.76_257.8851m/z	257.8850642	0.764266667	neg													2106.208006	1880.999169	1813.571151	1454.485161	2716.063778	1958.683719	3009.363491	1399.709065	1741.507318	2780.88859	2483.176999	1026.400196	2272.347105	2726.549365	2075.862085	2045.947357	2009.071791	1947.996137	1664.960679
0.76_258.0737m/z	258.0736735	0.764266667	neg													28572.78619	24799.50875	32523.9089	25044.86818	24303.4519	24114.52716	26789.32666	35887.6572	37105.5976	28831.75666	29427.68789	27466.77153	34761.13883	36174.76549	24257.76997	33184.24198	29465.34829	34162.49388	37996.5924
0.76_263.0579m/z	263.057901	0.764266667	neg													8975.33521	10901.03665	9406.895323	13999.45983	6956.88301	11137.36991	7145.28724	9126.007517	9414.65951	7589.641463	10327.51547	11446.49743	10772.07504	9100.639109	7323.199726	11784.00654	9762.857495	17063.85357	9550.715647
0.76_264.0576m/z	264.0576137	0.764266667	neg													15015.00959	13323.067	15074.69129	10493.37617	26023.24141	26721.43331	10306.92176	8257.044779	8224.062541	25436.67472	10196.01696	6458.744201	18418.93693	17777.46342	14833.57934	13863.08277	14660.58177	11616.51131	15964.8071
0.76_264.2045n	247.2012088	0.764	pos													6477.739249	5759.448494	4340.407459	987.5986814	53216.90065	66325.18906	1252.233619	0.000297236	512.0988726	41506.19071	980.2320174	0.000297236	2624.83804	2416.366168	1654.33208	580.5302187	845.6043154	0.000297236	626.5635382
0.76_267.0776n	312.0758425	0.764266667	neg													6651.917825	4684.509098	6662.797119	5075.728956	8505.220519	8252.299675	8021.03493	4882.674365	5361.883188	13565.22764	6266.543515	4507.964303	6738.323807	8656.591139	5982.866702	5738.149891	5361.362526	4725.402439	5862.535651
0.76_268.0847m/z	268.0846959	0.764	pos													7183.890673	7706.853228	6942.608669	3432.715307	8743.205763	8848.391932	15174.91338	2957.620421	3093.536871	17094.28023	7706.238879	2474.148187	8984.843788	12132.43196	5248.23814	6012.823542	6836.611617	2734.745525	4340.270304
0.76_272.0267m/z	272.0267335	0.764266667	neg													30896.30995	36586.49823	27924.07493	36396.79882	30743.77082	50226.44009	21775.86902	47881.71951	65363.94406	35170.13946	33143.69775	41237.3723	20586.69732	21245.44705	33714.41016	26767.53064	20284.59859	39783.62236	32458.22986
0.76_274.8871m/z	274.8870798	0.764266667	neg													6852.311361	7389.650275	7671.727111	8824.666283	5819.846256	6400.196647	7678.120211	6064.947156	5828.655577	6296.86754	10750.09304	5075.131594	8845.738414	8774.088496	9294.919999	10941.32962	9008.674588	9434.757164	6313.816381
0.76_276.8838m/z	276.8837833	0.764266667	neg													1414.286108	1189.715915	1531.18954	1363.342826	816.1866413	564.9742001	1539.935098	978.3920393	1427.009008	816.6505817	2840.971788	728.2070703	1767.038764	2262.461028	1677.24931	1815.239728	1692.552852	2830.937389	1811.679995
0.76_286.1273n	304.1612799	0.764	pos													11032.45692	11297.75623	10379.98444	4852.490674	10770.04965	14028.11842	9675.91312	16105.95373	15882.97714	13122.23616	7949.996226	9053.411626	9187.558758	9532.785324	6036.765623	6127.153635	6141.099397	4589.696261	9122.216296
0.76_287.9948m/z	287.9948381	0.764266667	neg													35116.41807	33560.3828	31804.7007	41148.6513	31572.71985	34990.52315	46040.92407	28769.44744	32144.87824	33156.58184	35370.98532	29388.94346	43136.37317	39607.97062	36291.83064	39260.72631	40103.61935	29480.05384	32582.35443
0.76_292.1131m/z	292.1131429	0.764	pos													16773.16278	13800.75372	17337.45839	12937.86626	14781.69916	20031.25739	17694.98587	21004.80359	18230.00166	16245.59293	16858.8449	11173.47024	14876.61034	15281.58803	15332.86131	13087.71781	16249.64542	16128.02799	15882.50035
0.76_309.9767m/z	309.9767033	0.764266667	neg													1991.995231	1379.189288	2234.469114	3281.710798	888.0363606	3697.522399	3141.075994	7024.371059	7606.55607	2764.10251	1820.502567	2940.456676	2263.050799	2254.590812	2388.550463	2615.53032	2443.849387	3486.176665	2211.148749
0.76_320.1084m/z	320.1084467	0.764	pos													19835.40147	23406.73075	19680.77316	24029.61197	17763.38066	20510.77581	18063.74801	9973.019356	14606.92444	19577.69198	23231.34815	16582.21903	25782.28147	17952.85385	21602.15237	20008.25315	21435.7892	17468.50585	17903.33575
0.76_326.0576m/z	326.0575781	0.764266667	neg													33080.34267	29210.09745	29278.62108	22669.44945	47107.87726	55126.68911	22693.41119	22416.72977	21371.7226	49290.77273	20150.35937	16816.32864	38541.00297	37619.85238	29180.96585	26338.2588	28061.97575	25908.01718	30690.86158
0.76_329.0727m/z	329.0726592	0.764266667	neg													12876.50311	13593.90305	13147.53041	15631.91806	13014.88912	26071.2806	10235.71527	13347.84369	11819.47883	13315.09101	15039.20686	15500.05555	13286.49086	10450.4529	11620.2364	12096.83882	10222.69299	10591.35869	10371.62579
0.76_336.8872m/z	336.8871877	0.764266667	neg													10652.19878	9722.77004	9880.526612	11571.79639	9001.736159	7297.111427	9498.368201	9303.561077	7610.015505	7746.896425	13371.54953	8147.75372	10023.5594	11628.53562	11797.14792	14568.8403	10077.54593	12428.89498	10044.05212
0.76_337.0332m/z	337.0331769	0.764266667	neg													3835.488923	4460.904732	2792.10299	2046.681632	1493.096196	1915.47278	856.093983	874.4275679	16830.47398	1818.229799	2721.203203	39876.7922	1198.02648	1469.119316	3634.412145	2653.427258	1824.957338	1750.557622	2006.134022
0.76_337.0781m/z	337.0780903	0.764266667	neg													22769.65072	18254.3855	18674.18632	20973.52941	18308.23663	19400.95634	20180.79291	9936.236511	11060.51941	19816.40472	15363.78636	18428.78286	18042.13533	16386.69644	14292.61339	20010.93891	16292.53338	7425.272959	17132.68883
0.76_342.0554n	323.0375776	0.764266667	neg													23315.19305	24920.97183	20060.72844	30554.68165	24193.83524	25975.19617	21443.89006	33371.40438	38305.41482	19161.69633	22437.41728	36209.20175	20765.38388	16056.21891	25329.72109	22578.20025	19871.26663	32987.84658	28198.74266
0.76_348.0608m/z	348.0608099	0.764266667	neg													9953.182008	9536.138168	12241.66822	9235.391526	8224.191897	7756.554689	8703.142212	6184.7083	4145.314275	8680.427111	7284.629845	8727.859761	7839.441516	10306.70266	7759.770444	10126.33286	10661.47275	3929.52752	11485.3614
0.76_358.1603m/z	358.1602809	0.764	pos													5722.344226	4506.999904	4956.589233	4224.697609	5458.00693	2419.019949	4976.86134	0.000297236	717.2246112	2786.738254	4820.300322	3267.829879	5170.390236	3759.738039	3074.538062	6085.274806	7221.410885	6589.427681	6831.388932
0.76_371.0573m/z	371.0572631	0.764	pos													143925.7099	145727.6681	138644.4823	160941.2913	87078.23678	132410.9568	102494.7911	121031.3706	120467.4227	92630.74583	131158.1615	231057.514	134092.6387	122110.8296	157609.3239	145463.8038	170105.2315	148636.6522	175086.8042
0.76_373.0651m/z	373.0650981	0.764266667	neg													9462.443234	9161.246431	10077.96167	6369.588154	8308.522169	8848.902842	10610.57703	6382.217453	6853.071381	10695.64318	6636.656061	6696.824757	9797.624405	11630.81224	7886.542929	6768.181483	8840.966152	5141.837444	10602.68672
0.76_400.1461m/z	400.1461489	0.764266667	neg													2269.632215	3003.131159	2235.341644	1747.414189	2821.940252	1878.043205	2377.386153	3458.456771	2539.498799	2680.301903	2495.148691	6111.275508	2231.942514	2267.512147	2272.640371	1695.717824	2082.581878	1598.21102	1865.121543
0.76_404.0144m/z	404.0144436	0.764266667	neg													5836.430498	6849.031949	6322.741669	4931.958632	7659.643204	7179.936933	8615.62347	6009.71645	5448.512105	6690.226352	8406.380933	4438.691124	6506.199981	4460.498556	7842.622128	7136.328788	6627.69753	7219.817962	4535.564518
0.76_405.0751m/z	405.0751015	0.764266667	neg													31708.80141	26641.84033	34077.42149	23674.54578	18081.77117	24766.87564	21876.11428	22097.61619	16744.79202	35830.42559	19296.33176	26935.0852	31793.61422	39464.48607	22672.26235	29712.8087	37817.6853	13069.54369	32335.14345
0.76_408.1971m/z	408.1971464	0.764	pos													10371.50909	9454.121656	10548.52186	8941.082372	13393.67036	8767.459303	7216.288105	5407.870508	5632.08784	10861.5327	9213.317582	3665.006685	9347.896932	8148.166178	9277.126147	8790.280744	9406.749886	10753.05077	8911.121318
0.76_414.0712m/z	414.0712262	0.764266667	neg													8476.495925	11575.55828	11289.75509	9657.508935	9410.268043	17389.84537	10408.03206	9082.956015	10219.53609	9779.148027	10186.64082	5596.652494	9580.177737	7557.388359	6096.036931	5749.243864	9969.56256	6154.324936	11408.59517
0.76_415.0471m/z	415.0471082	0.764	pos													17627.87273	16410.90346	20765.90186	36043.58025	7535.223747	18092.8306	14790.16395	25614.54538	25243.55143	15698.78358	25235.01319	24912.36937	27858.45488	19426.81911	20698.38921	21484.85949	28391.70653	34514.44277	31191.86751
0.76_460.0288m/z	460.0287762	0.764266667	neg													10511.36388	9820.657445	10251.0421	5681.203326	13093.48022	12674.8946	14504.31997	10674.83677	12327.47092	13412.09793	10309.02669	10642.36905	13158.8489	8932.272137	10069.49933	10958.19173	9765.204185	7530.678103	10280.9631
0.76_466.0154m/z	466.0153939	0.764266667	neg													17617.0413	15232.64096	18030.46167	19928.01428	13732.60481	20456.25644	16284.51475	15845.0208	15592.41082	16087.60775	24476.91989	21525.96889	17527.96578	14402.30991	21409.94087	15940.15461	18361.71345	18723.00746	18260.24457
0.76_467.0762m/z	467.0761522	0.764266667	neg													12806.85349	11801.85438	11263.01016	10900.36349	13713.12868	18381.26988	9601.268814	10054.53177	9104.70487	13911.28329	12621.35806	8491.382972	15236.3967	11772.52328	11335.54598	13579.91167	10495.61042	13113.15817	12802.73804
0.76_542.0098m/z	542.0098134	0.764266667	neg													5304.753132	4140.487123	4281.749922	5133.817681	4292.210439	5785.118262	8614.191651	5742.36644	4614.833363	5548.134259	5126.381669	3474.687966	6259.996291	5183.348044	6188.989196	7389.134924	5325.168266	5991.370945	5450.360282
0.78_111.0073m/z	111.0073456	0.781716667	neg													8153.271516	8603.605537	7685.42701	7376.307431	9386.098896	6846.001951	9115.708156	7904.085727	9058.18262	9221.956104	9335.875589	6923.280617	8914.691824	8863.455382	7683.955025	9084.811844	8804.976013	6372.692032	7777.581285
0.78_112.9864m/z	112.9864089	0.781716667	neg													2197.958952	2625.416697	2261.442803	1349.504004	2320.715226	1517.846441	2422.160292	1148.725906	1167.628284	2172.87088	2269.222054	883.4235302	2515.24103	2487.827697	2525.498024	2451.366394	2360.747993	1387.624637	1801.263214
0.78_127.0023m/z	127.0022764	0.781716667	neg													803.9977648	601.5187731	719.4577293	833.1113381	743.1901996	795.6237101	791.5146615	811.3693034	885.1793639	709.8963735	1083.069149	704.3452501	681.9016281	888.319319	792.6789163	696.3447676	764.0542986	955.6314791	825.3246569
0.78_134.0268m/z	134.0267509	0.781716667	neg													203.5179665	131.1671891	122.5017705	123.4592023	138.0004441	197.7541594	109.6377132	148.4190247	285.8623249	585.9600043	197.9487484	171.8436886	210.4483056	164.0882782	212.0845946	284.5021481	248.4809	286.6943519	259.7043536
0.78_136.8617m/z	136.861725	0.781716667	neg													2174.31937	2312.623841	2454.130875	2343.651258	919.3823471	733.3228553	1537.964215	2079.321006	1540.715769	1512.854984	2149.458315	1560.183228	1367.025808	1230.070104	1146.359398	1962.081166	1868.493702	1804.186653	1452.572383
0.78_136.9901m/z	136.9900636	0.781716667	neg													1366.122614	1636.261514	1561.524536	2150.460521	1443.901784	840.8862744	3120.29977	1505.400004	806.079753	1457.371025	1554.779625	508.7551689	1115.287575	1324.313085	2302.670067	1740.227442	1729.882022	1326.04335	1419.855712
0.78_138.4951m/z	138.495071	0.781033333	pos													4101.655578	4083.876512	4585.822219	4870.253584	4897.716062	4160.678592	4225.411942	4056.78098	3744.62697	4016.064062	4696.207105	4296.8136	4207.018503	4347.852532	4734.293808	5898.056869	4519.07827	4516.664786	3839.348925
0.78_139.0023m/z	139.002278	0.781716667	neg													225.3704836	217.1408966	207.0128899	211.5809337	73.70105661	81.5263543	146.0874834	72.41306175	144.3643222	247.2852276	86.00915367	73.59747915	304.7383545	167.6768813	72.59742832	140.0321061	262.3001191	124.2141642	381.7410214
0.78_142.0496m/z	142.0495634	0.781716667	neg													1516.199522	1648.50141	1724.274145	2144.390591	1691.135516	1801.246883	1719.468381	1601.958175	1470.975909	1882.45312	1799.072943	1711.32104	1867.249674	1575.681775	2049.426344	1696.495534	1863.929452	1863.784605	1947.850287
0.78_144.0289m/z	144.02886	0.781716667	neg													7407.030121	8681.306123	6961.216517	4197.096767	11859.35211	9424.555421	4197.659547	30890.85288	12103.71329	10166.27975	3410.746589	10576.31819	4349.102674	3633.522201	3547.511749	4444.660637	3952.413364	4598.426266	4351.151691
0.78_144.6050m/z	144.6049675	0.781033333	pos													269.0208235	303.0727343	365.4693298	0.000297236	580.8278614	133.5030978	637.7545668	0.000297236	0.000297236	0.000297236	275.4606402	0.000297236	334.179136	550.4176316	656.6108332	378.3036812	524.7257731	305.9266787	459.1639155
0.78_148.9331n	131.9298246	0.781033333	pos													5534.010606	5126.110576	4633.981103	4865.291482	5447.912907	3941.71975	5840.815643	4099.805399	5186.669698	4415.232064	7202.709786	4182.099749	5428.575863	6589.540036	7840.762248	7781.166125	6882.311607	7519.173653	4796.433725
0.78_160.1277m/z	160.1276581	0.781033333	pos													1423.909861	908.0613309	1602.3078	765.3722145	2703.381394	0.000297236	0.000297236	0.000297236	1216.441901	851.9851781	1739.35486	810.980414	643.3407585	0.000297236	1401.68042	1480.873862	0.000297236	1225.883431	1112.439243
0.78_161.1362m/z	161.1362342	0.781033333	pos													161853.6578	174218.9584	153415.3975	187581.5072	181766.1311	169554.2362	185457.783	175148.8856	161050.5512	174251.5322	169409.2025	110015.2112	145379.4911	135856.4764	202540.3703	191068.4033	191231.0956	181110.1489	125622.6009
0.78_162.0219m/z	162.0219203	0.781716667	neg													841.0390866	752.9241414	984.2486375	783.6815508	1129.411867	815.6679366	471.1538358	839.5139125	1028.809162	727.9068016	523.4176842	969.3700754	766.3843943	843.2185566	819.9613237	867.3200031	963.3700202	1055.764482	709.5709071
0.78_171.0073n	189.0393241	0.781033333	pos													15112.66354	11722.07449	13331.28791	9766.631104	15261.83098	10411.86952	14245.56868	7479.625752	7952.876292	14432.74629	13093.96564	9487.452479	13058.83583	14315.73389	14724.38364	15789.77995	12624.01669	10368.79668	10780.07564
0.78_171.0764m/z	171.0763666	0.781716667	neg													1209.427421	1559.351919	1412.836575	1778.600451	1392.32275	1714.834477	1696.674331	1343.482432	1222.429443	1607.749059	1828.099059	1841.536317	1624.32915	1496.871544	1418.927631	1495.049752	1266.897844	1670.075091	1580.631615
0.78_172.9562m/z	172.9561617	0.781033333	pos													20863.40335	18458.41369	19749.02977	18372.93378	18434.97687	13915.53963	21401.73801	16678.34969	15718.60526	15847.95073	27167.62705	18387.94751	17698.3356	24644.76649	26346.47345	26873.71927	23698.34931	23323.4301	18164.21976
0.78_172.9846m/z	172.9846079	0.781716667	neg													722.0823357	439.06952	577.1124268	807.9220681	429.9418236	560.4360571	516.2591877	588.2554548	489.4574636	453.0797764	582.7707575	550.7354181	602.3257382	520.5859083	563.0232903	568.5481421	714.0776569	871.6929591	598.8227626
0.78_174.0264n	347.0398354	0.781716667	neg													122316.1562	124506.1023	126701.6391	70185.15431	185579.7813	173293.5556	209096.8235	121089.4673	128514.3038	240955.211	127605.2032	96533.4419	149242.4347	99684.14727	120379.7077	109149.4864	131352.8784	69933.50586	101430.7375
0.78_176.9718m/z	176.9717931	0.781033333	pos													4910.52797	5340.305334	4589.036828	5511.042228	5028.968083	6238.904627	4271.911492	6776.266295	6172.855106	7053.319146	3501.889202	7777.980441	7540.322137	6066.54741	3521.088667	4983.297654	5005.987963	6286.212259	5074.199277
0.78_192.0323m/z	192.0323096	0.781033333	pos													75694.41864	81048.03744	77550.68536	104366.8536	49078.82405	128542.9302	80814.8475	115585.3035	113649.0152	69502.90734	72579.76417	89331.88053	83968.75805	69719.69892	63265.32654	69586.70347	84948.06789	74974.8686	83181.04563
0.78_193.0407n	194.0480198	0.781033333	pos													176480.8158	186265.1793	182108.2918	149073.3578	183862.6463	167434.0381	152275.7042	160780.0731	138129.6903	247904.0639	126869.3847	181250.506	172848.3718	216858.3021	230119.6546	215412.2524	222100.4206	128619.288	161277.2063
0.78_197.0348n	393.0683498	0.781716667	neg													8069.448158	7090.814442	6875.937761	9919.314224	10464.84624	6923.42812	11828.26906	6379.74417	6006.86324	5403.364295	8649.129456	6292.472703	6307.589711	5239.58197	6704.077139	5962.346967	6578.524025	8146.21025	7441.84983
0.78_200.0077n	199.0003818	0.781716667	neg													17818.38791	17026.73911	17318.27218	16762.64954	19954.5826	16865.80406	26338.56286	14768.40324	16572.07496	22913.89897	18557.45743	9772.144981	22552.96974	18807.71442	19516.80844	16672.56126	19104.87689	14552.60439	16730.34721
0.78_210.9325m/z	210.9325104	0.781033333	pos													9270.493939	9166.159607	10830.18951	10987.89397	7545.475638	8586.574594	9470.327939	9568.969026	9546.626922	6609.577108	10853.05265	9523.083493	9003.705694	9343.646863	11319.43814	13247.9818	9643.129759	11554.49294	8507.063854
0.78_211.9404m/z	211.9403774	0.781033333	pos													7437.64841	7293.009936	6880.562473	7912.91252	6325.491344	5585.632693	7758.344869	6340.448648	7641.107017	6112.949645	6153.400705	7487.798031	7900.000385	6448.19103	9097.875335	8415.887909	7886.871753	6443.924968	4725.492271
0.78_214.6048m/z	214.604781	0.781033333	pos													3598.520887	3815.292788	2602.270996	3570.189728	3533.269225	2810.382413	4041.656037	1893.75764	2823.417162	3363.516637	3442.789841	2668.095653	3542.179654	4062.224211	2216.081723	5195.737002	3974.690387	3036.780818	4462.106988
0.78_220.1422n	203.1389235	0.781033333	pos													184266.8907	195872.9383	202468.9605	276603.8232	88570.27638	126967.9589	54645.37918	151582.7819	123021.8059	50360.40514	179708.8782	469629.2975	115177.236	113037.0125	236185.825	230187.295	133764.9721	412531.4459	402872.1936
0.78_228.9928m/z	228.9928271	0.781716667	neg													82251.85126	69898.53463	68771.61463	70613.90705	68114.26726	56237.0952	88637.68085	52648.77488	62199.92758	74290.33345	76865.41482	45299.15006	94367.63157	83476.58316	80954.52502	87822.69898	73827.18201	68653.74495	65363.95532
0.78_234.9563m/z	234.9563307	0.781033333	pos													41798.98103	36580.46209	38113.33044	37999.96082	32714.90347	32384.71949	40435.96385	40218.30304	37561.41517	28268.28631	42936.51292	54625.27442	42406.39741	50211.83071	49799.85137	54049.63432	40696.75012	47895.78686	36676.11125
0.78_240.0004m/z	240.0003948	0.781716667	neg													556.236955	529.3966923	525.4729494	241.254678	681.2359285	845.1284901	416.4925743	165.4382542	711.2415687	1102.768026	365.7682718	443.1655334	761.3542023	611.2676067	831.7954459	516.9431242	534.8213069	302.2964501	690.8396312
0.78_242.0067m/z	242.0067344	0.781716667	neg													961.5428729	1325.906075	1343.825937	469.3577754	2661.874398	1951.56093	846.7505602	6717.809545	2189.510122	1516.015288	0.000297236	2385.722548	474.7528481	0.000297236	407.9499175	592.504534	251.1295849	521.3055246	367.3821311
0.78_246.0349n	247.0421641	0.781033333	pos													544671.2289	461246.7949	476999.241	425808.7555	570892.0468	443063.5556	545109.0457	320586.0973	336212.3848	492955.5019	487337.9396	434856.4513	511442.9809	481450.0216	543556.648	517271.7744	471995.2609	423973.275	439003.4222
0.78_247.9764m/z	247.9764337	0.781716667	neg													915.3770054	1122.081045	820.9097536	1443.613739	470.0716288	1268.715304	1147.189094	1603.840631	1469.377379	617.5424608	779.8872749	560.4387947	1083.07977	686.9750723	386.7318709	687.9166785	458.5472606	1500.497759	855.5014571
0.78_250.0388m/z	250.0387631	0.781716667	neg													6648.948486	7848.724257	8001.711545	8797.624404	5443.638533	7476.740244	6003.551513	5655.368784	5229.329427	6276.405868	5582.695405	9198.225849	6401.581851	5372.978826	6072.976449	6035.426138	6341.631842	6636.905433	8885.99953
0.78_251.9619m/z	251.9618643	0.781716667	neg													984.5200922	578.0891819	922.1340027	608.0608211	948.1147781	545.7885588	1178.108314	960.6445188	1407.132214	667.3287859	839.7325334	471.9189838	896.4410257	853.8058433	699.4759197	427.0131691	638.4458747	818.1629424	527.9355426
0.78_251.9719m/z	251.9719078	0.781716667	neg													7757.832495	8189.948868	7984.921507	8504.253699	10271.1259	7815.14333	9788.696608	5150.887524	6490.467152	9191.981544	8666.836629	6191.654867	8884.772002	9079.677633	9235.953422	9116.417787	9110.917888	9884.484197	7344.082394
0.78_259.0400m/z	259.0399826	0.781033333	pos													6292.703356	6929.194748	4011.346436	5867.667362	5711.479427	4670.116357	4789.136022	3637.48103	4491.858176	3941.298094	6378.465732	3369.917329	6442.356647	5856.59812	4538.145712	5022.358895	7394.249513	5275.529243	6588.266635
0.78_274.1162n	275.1233968	0.781033333	pos													216197.632	221560.1608	204979.0944	335344.655	366283.3366	206349.303	434413.6301	34358.42708	33634.95438	166769.3845	322473.0772	91987.13195	150492.55	181252.6925	248251.0371	237555.8474	215025.8577	279858.6075	227906.8706
0.78_281.0542m/z	281.054238	0.781716667	neg													23573.14674	21570.27557	21931.70472	23149.4068	19859.13957	16133.12902	23120.95189	14572.96554	10354.31955	19335.16283	18289.12101	26462.32154	20693.42531	21337.71079	19439.68114	22061.30439	21951.57974	11449.62192	26169.71899
0.78_283.1340m/z	283.1340383	0.781033333	pos													32945.11458	35719.45163	28280.49503	29903.62284	38565.88296	32691.4739	28335.61596	47829.4965	41122.25401	28516.36404	26455.12412	67049.90035	33134.18467	31641.34656	26852.34871	32707.76582	33926.20494	34887.57554	36912.43887
0.78_283.6358m/z	283.6358275	0.781033333	pos													7455.962772	5908.524723	8082.600881	8999.64175	9698.145757	9380.234544	6186.449024	11095.56414	9519.539086	7507.400145	6321.185615	16057.73545	9224.682144	8050.628556	8023.475654	7766.367473	8640.092327	8310.80153	7867.806915
0.78_287.0488n	286.0414323	0.781716667	neg													26774.19813	33002.69707	34279.79657	20156.27169	30492.23392	23430.1634	30841.57574	20753.73398	18462.62979	30165.94142	28632.95672	18623.75933	24531.89512	27675.66076	25376.16402	24432.50022	33094.82818	17333.53724	23745.55912
0.78_288.1186m/z	288.1186383	0.781033333	pos													3174.642939	2495.709896	3544.663241	4076.363151	4279.278311	2468.852505	2261.400728	4628.632769	2715.23957	2161.617385	3588.554082	3070.910389	6032.927368	3964.374932	5266.808067	3155.489984	2227.717869	3197.826222	4942.644703
0.78_291.9064m/z	291.9064379	0.781033333	pos													31350.02659	30839.2893	30432.40043	33222.04066	32464.90811	28101.45203	31500.95946	25678.82504	28447.14013	26956.54418	35684.6624	27394.36596	31693.80378	36982.92031	40547.7948	44170.87186	37496.81789	33622.61756	31738.52536
0.78_294.0290m/z	294.0290271	0.781716667	neg													191801.0923	172257.2135	177126.9659	244494.3977	105074.5728	191163.0878	159086.3693	217309.5929	188112.6903	130291.5634	177259.9345	149516.1961	177169.4395	148914.1061	171099.3265	164742.2085	182788.7568	213421.38	230008.9752
0.78_295.0359n	278.0325751	0.781033333	pos													90586.54094	103847.3141	92099.53333	127151.3665	48763.63185	92298.42113	75441.1451	107719.3947	84553.75674	58409.77615	85701.62996	78361.36772	94402.01887	81115.60345	92813.86234	91393.27005	97481.05466	121551.6789	123789.6422
0.78_301.9954m/z	301.9954214	0.781033333	pos													23121.20387	15565.13869	19344.52856	14644.88763	20022.76597	13456.59842	22404.98603	11082.81294	11831.53074	17598.84991	16126.2269	21038.55181	15784.37126	20537.52682	21928.68006	25128.18049	19333.73291	13984.31933	17625.66551
0.78_314.0544m/z	314.0543656	0.781716667	neg													2788.570477	2412.497987	3422.469454	2311.262274	3629.815346	3568.73305	2111.96167	5329.663998	4757.785529	4077.808168	2000.692492	2642.2169	2978.826507	2864.294972	2356.090803	3966.220104	4900.57169	1918.124485	4280.284304
0.78_318.1116n	357.0780374	0.781033333	pos													26250.41503	26665.80949	27451.58562	20201.52151	32779.68909	24062.02682	34434.3198	22584.87343	29186.11559	34333.85998	24789.27559	28096.41046	27791.83724	30617.29331	26896.3156	20409.28597	23480.24686	21940.89476	23696.66619
0.78_343.1606m/z	343.1606156	0.781033333	pos													6132.856927	5445.142647	4528.035015	4254.463321	5614.054552	5224.739267	6693.903957	4299.112273	7510.741329	5894.595917	5249.766331	6414.630307	7708.712892	10081.53533	6519.898323	4161.225999	3835.224606	3892.645606	4700.214899
0.78_351.9876m/z	351.9875667	0.781716667	neg													3531.924901	3139.798285	3872.67289	4430.891304	1589.2944	2509.54703	2598.011222	3661.003933	2444.961701	2508.65319	2343.740381	2000.725119	3984.483996	3046.685696	2748.549905	3118.69005	2978.771785	3959.10591	4204.808113
0.78_357.0729n	356.0658881	0.781716667	neg													12026.8332	13860.01467	14060.28999	10896.3086	23653.24022	12964.11952	19480.86132	5202.409008	9353.130671	20248.44529	12259.38759	7156.313911	13843.18785	13153.04703	10873.12966	11770.02519	13582.42451	9556.171541	12514.04313
0.78_358.9456m/z	358.9456131	0.781033333	pos													7837.83625	10023.42553	8311.616313	7550.545201	10489.06977	9082.774761	12343.73513	4903.996206	3527.707403	8283.677486	9126.430167	3407.472239	9185.654543	8856.67909	7930.027898	10972.84082	9946.15927	6639.445295	10153.0237
0.78_366.1055m/z	366.1054579	0.781716667	neg													11026.96725	9310.196578	6854.956968	9948.016776	9399.753226	6438.652812	9632.618501	8635.043783	6748.568096	16600.3955	7453.275934	9602.697435	14828.40391	13373.47156	9513.46544	10279.47032	10657.55504	7171.539644	12507.30548
0.78_369.0216m/z	369.0215788	0.781716667	neg													2633.269227	3728.927888	2199.781064	960.2246355	4533.080351	3507.25335	4632.794341	1729.28505	1967.437016	6212.505253	2662.872122	1438.340456	2871.006254	1810.26574	1856.741851	2595.523324	2050.559301	925.0703454	1335.167805
0.78_376.1004m/z	376.1004064	0.781716667	neg													6586.59738	5202.027273	5888.366264	6855.399814	4807.894785	6663.409214	5246.134028	5834.297813	5524.617587	5971.143049	4561.859141	5205.56483	4956.603256	4470.812064	4927.570493	3250.021278	4115.541914	4345.94247	6397.407291
0.78_382.0447m/z	382.0447269	0.781716667	neg													6839.838976	6135.417385	7704.404235	8247.692034	4645.108913	7655.333539	9704.71894	6335.762509	7300.5852	5880.363219	5522.033844	4007.393256	8520.425321	6521.307925	5638.043929	5635.161056	6777.999699	4884.541875	6889.343315
0.78_392.0062m/z	392.0062028	0.781716667	neg													27120.2646	23081.85177	26483.28365	37244.38648	13553.84133	28539.70753	21812.13824	35536.2232	25189.80564	15810.08491	27275.06829	20962.55333	25803.40445	21916.78344	23979.2762	21692.24244	30547.63942	34932.81757	34900.68641
0.78_413.9883m/z	413.9883142	0.781716667	neg													5146.222333	3789.635738	4243.063699	6898.320536	1676.04917	2779.362357	3812.062919	5583.800027	5351.823808	2590.207726	4610.478173	3632.486739	3662.672902	3303.418341	3094.979096	3039.293645	2500.360114	8032.80749	4316.247786
0.78_426.1885m/z	426.1884546	0.781716667	neg													1352.65984	1449.720466	1152.661503	1793.907131	2606.607206	2010.385702	2254.564022	1286.237563	1110.568251	1659.070133	781.8410886	1504.711145	1633.493337	1022.157314	1479.098548	1996.198845	2358.719501	1642.38561	1503.786274
0.78_445.0180m/z	445.0180279	0.781716667	neg													22540.01655	22861.06351	22290.77205	12372.55679	31713.45148	34147.01808	36361.91043	21270.55903	26704.37927	45111.5082	24600.72639	16188.39825	29323.91983	18461.67627	21701.74374	20871.47138	25452.98842	13500.40487	19154.78913
0.78_446.0971m/z	446.0971237	0.781716667	neg													38942.90788	36461.24823	32894.03833	35881.8797	44508.41384	68309.6499	37533.19553	56331.53935	49071.17334	55830.26129	39069.28338	43981.24722	36829.77595	34845.60399	32316.30367	37516.68013	32229.16253	29084.95555	27792.02969
0.78_467.0000m/z	467.0000363	0.781716667	neg													5353.403845	5306.628002	5165.709167	1866.853534	6116.734815	8627.092451	6951.335169	2866.400027	7097.275339	11475.99907	5050.413687	2912.976558	7613.232839	2657.642027	3115.88313	4101.646128	3279.616863	3463.733909	3375.728323
0.78_486.0557m/z	486.0557187	0.781716667	neg													6056.093869	7133.094082	4894.18548	8866.95491	2594.191181	4856.066061	7303.66177	4145.75294	4791.682507	3188.932024	2607.478356	4640.68133	6573.79392	3670.767422	3769.679603	5808.951807	4332.850218	5771.227974	6799.955017
0.78_515.0578m/z	515.0577504	0.781716667	neg													2954.035019	4175.299361	5070.81582	3560.252987	3151.898172	4727.150815	2737.937695	3261.345384	3232.017164	2600.646655	4602.591698	2953.271808	4516.624652	2562.56004	3634.90916	3824.695067	7148.876901	2441.548826	6345.052449
0.78_522.2404m/z	522.240372	0.781033333	pos													8276.235743	10011.14295	8143.549072	10274.0571	10818.73711	5964.735682	7689.15595	6871.93055	5029.197116	7517.824383	6605.393954	10447.57026	8038.743906	5080.553059	11792.73067	7046.121497	11338.99049	11817.8753	11386.17835
0.80_103.0021m/z	103.0020959	0.801	neg													1909.345442	1982.523279	2166.268927	2370.139482	2041.374106	2349.363537	1372.675976	2422.942651	1614.98071	1754.95866	1849.26698	2152.692324	1399.187524	1360.896661	1904.60189	1786.458962	1474.436606	1569.093975	1402.439672
0.80_112.0508m/z	112.050754	0.798133333	pos													4086.939184	3827.963566	3498.438049	3988.135207	3562.61817	3649.969075	4593.233142	3430.580907	4254.098686	2976.466436	4226.446122	3010.908158	2956.527741	2933.205998	2824.634236	3408.51204	3820.802184	3791.120462	3717.374238
0.80_116.0702m/z	116.0701906	0.801	neg													31134.00253	35374.08269	34093.66323	36304.95416	34966.63347	34806.57961	33031.64937	28525.62633	26536.83339	34136.27035	37188.433	30589.92283	34012.09802	34081.16528	35651.15074	34578.98673	36832.55728	35772.74269	41863.33196
0.80_118.0829m/z	118.0828742	0.798133333	pos													5060.737488	3102.989587	4932.095177	2418.700049	2054.426034	569.31278	833.4137622	5135.190927	1603.482612	4444.621663	4903.899725	2825.207184	4244.237875	4882.935897	5711.45444	3586.561897	5393.669528	4321.804828	3323.244048
0.80_134.0201n	133.0128295	0.801	neg													1533141.338	1613734.107	1551187.505	1445557.789	1493108.736	1694374.775	1365925.304	1474344.759	1794928.222	1930495.182	1759888.695	1544572.916	1309174.631	1466151.049	1567494.572	1255495.183	1523024.736	1350356.743	1816346.071
0.80_167.0199m/z	167.0198654	0.801	neg													31604.80128	34022.70748	30394.96941	28535.66893	31597.83763	32221.80127	17307.25232	50654.11653	33981.922	30065.28869	15250.61121	63320.7284	21714.71195	16876.23423	27360.44951	21150.73822	31051.88644	33484.39791	36899.55519
0.80_168.0232m/z	168.0232083	0.801	neg													963.0496753	1554.306106	1179.79009	1044.506911	1249.756755	1346.108866	703.1421753	2959.738155	1398.778728	1326.968862	437.1498108	3168.316536	790.7811849	708.7137248	1076.615745	658.3640714	1353.182925	1586.751262	1464.774808
0.80_173.0556m/z	173.0556216	0.801	neg													3337.346499	3738.869541	2949.599916	3511.976391	3612.867514	3979.696869	3043.64347	4089.097617	4758.383211	4567.966741	2825.730606	3131.083479	2954.459439	2421.365283	2199.657135	2513.602264	2926.028159	2913.047662	3717.284373
0.80_176.0310n	175.0236754	0.801	neg													665858.4367	412228.0615	490238.124	675297.4063	812560.4304	430291.1464	1180476.58	309783.5991	639739.9494	714942.9163	1019035.115	368615.1626	1158758.994	1246306.585	984204.106	878085.3949	869139.22	394375.109	563959.7021
0.80_179.0240n	224.022712	0.801	neg													11337.8612	11763.38962	10777.36733	12554.83264	12943.5059	11377.49928	9333.706882	21565.55792	18638.20757	11095.20461	7324.464239	11580.06549	9408.971467	7788.662787	9833.551368	6866.562977	8838.813056	9723.824187	10970.27512
0.80_187.1078m/z	187.1078024	0.801	neg													2386.206996	2511.813273	2075.999893	2974.172084	1758.177797	2152.114253	2409.597329	1661.161166	1613.857849	2011.415365	2563.216298	2818.752407	3152.440017	1902.582401	2383.637935	2768.71472	1957.961421	3577.640053	3306.369715
0.80_202.0343m/z	202.0342966	0.801	neg													1532.319329	2108.63061	1547.096279	2602.060416	2324.265178	1030.523531	2110.213303	2835.825646	2929.102469	921.7205167	1075.769231	3286.981547	1272.291193	1413.518035	811.258394	981.8406447	1089.476361	1935.721295	1072.719599
0.80_208.6045m/z	208.6045374	0.798133333	pos													2852.468909	3085.171965	2446.27959	2861.930017	2959.244827	2108.046438	3672.977446	1138.129107	1672.993132	3368.19306	1417.522992	0.000297236	3506.935713	2836.807296	2724.188894	3605.004912	2900.649701	2561.566955	3729.929543
0.80_224.0585m/z	224.0584773	0.798133333	pos													10993.645	13620.7222	11463.25278	10773.55586	8959.952647	11395.70715	13174.21605	10425.15044	13629.06814	14415.76098	10737.08028	8574.831695	15889.9989	10376.64031	8609.327774	9547.036212	15426.52029	4428.632859	9621.588758
0.80_247.0262m/z	247.0262195	0.801	neg													1216.635277	1306.978338	1480.072736	1394.714783	739.497345	1154.53007	663.0147961	2167.10316	2315.817999	2944.066663	1413.245604	1428.64568	512.4593787	1022.49441	969.6831759	1127.824792	1569.872825	959.4738971	2121.647614
0.80_261.0420m/z	261.0420483	0.801	neg													20464.50504	22628.59517	22588.20768	20902.58508	19473.32	23130.88936	12673.01464	53456.92666	39315.71989	22537.31976	15280.96688	34482.69179	17987.454	14704.29484	10011.82632	6922.07586	13217.68493	17056.93096	19702.29344
0.80_270.9858m/z	270.9858117	0.801	neg													44285.22675	45042.23607	43003.73	41308.38156	49118.92961	38336.36728	51588.59576	27876.3988	33606.15029	41267.26998	45656.71962	35410.46557	51102.26534	47445.43045	48439.17432	48098.66167	45308.13899	35177.45787	40503.61817
0.80_278.1243m/z	278.1243347	0.801	neg													4855.659277	6556.246789	5501.719713	5494.065678	5756.608899	4428.660807	4955.266884	7804.394126	7744.658148	5272.803238	5577.028036	7964.161693	4295.248623	4385.965079	4629.874818	4137.146855	4795.095503	5159.829166	6164.888513
0.80_344.0590n	325.0411704	0.801	neg													127052.9992	146600.7058	146718.2636	129856.1518	148506.3916	129752.571	145575.063	75881.12435	84925.00174	152641.7548	144445.3576	109175.2922	143907.2432	148192.1025	160965.0095	111881.1529	159471.196	88789.965	149316.3541
0.80_346.0213m/z	346.0212539	0.801	neg													1587.659827	1866.509536	1500.101074	1820.441586	659.2648754	3506.570394	1272.563563	2020.340804	2808.94661	1967.693354	1849.007338	1618.830405	577.589273	1677.882798	516.4623005	310.0495799	1750.275755	1137.448228	2178.320105
0.80_358.0457m/z	358.0457492	0.801	neg													3768.742972	2316.187364	2396.93062	4019.436458	3009.623331	2756.987101	10297.04937	3938.428259	2820.997227	2584.882034	2613.716917	2150.389527	10415.22577	6571.799723	4809.745203	4121.083845	3544.600902	2613.286087	2088.991978
0.80_362.1201m/z	362.1201205	0.798133333	pos													11544.66113	11882.82446	10001.96436	16586.66732	11237.27365	11568.20699	13313.52796	4523.113273	6257.186465	11949.12423	10586.1599	8292.568031	12744.03455	16035.50605	12838.51829	13714.88745	14517.39201	9129.938743	15425.49952
0.80_367.0517m/z	367.0517008	0.801	neg													10206.66137	5970.751272	8319.785617	10856.32996	15298.35692	5254.416101	21448.96463	4176.504539	6445.793456	8819.330137	14729.59543	4974.175976	23051.2328	22890.10069	18305.19835	13861.19979	14308.69188	4896.282697	7213.454003
0.80_373.0840m/z	373.0839838	0.801	neg													5256.622669	5250.863985	5144.568237	4301.66504	3379.967515	6165.606682	2325.165267	3584.616968	3504.406288	5140.126643	8940.205871	3441.14193	4530.200178	4813.372658	6523.125716	5243.72391	4438.07854	5152.914061	7279.343674
0.80_385.0672n	384.0605722	0.801	neg													7597.383774	6559.852126	4994.532592	10437.93432	8158.071727	9732.34069	10085.18648	4933.927393	5772.993443	9024.243668	6543.412563	4096.075006	9559.487275	8091.773291	8326.099206	7705.639785	9775.304239	4230.352856	4993.738666
0.80_470.0608m/z	470.060787	0.801	neg													10019.92378	7372.971251	8448.701161	19065.64698	8045.052388	7677.67428	20531.61606	4041.496761	9521.235946	9985.281272	14833.8563	7103.062471	14772.24758	15146.18249	15213.83215	13281.17742	16729.67769	7456.741475	12727.18363
0.82_118.0448m/z	118.0448452	0.816033333	pos													9312.515605	8522.851988	8894.921678	7147.517973	8839.883882	8811.35272	9566.43349	6759.536519	9825.679309	9223.576348	8177.400414	7093.967631	9810.107881	8870.735508	8065.821593	8799.831986	9308.747423	8231.953382	7826.587773
0.82_120.0928m/z	120.0928327	0.816033333	pos													2211.696582	2540.470998	2968.648197	2547.566675	2979.180028	2144.18525	2035.12847	2354.788577	1844.065829	2368.777719	2412.284057	2373.649149	2092.450628	2387.417181	2306.4591	3339.305506	2151.58466	2286.963479	3067.603406
0.82_132.9627m/z	132.9627389	0.819	neg													2548.328669	2493.65014	2697.824393	1945.279765	2347.222958	2347.637622	1629.901894	2199.838177	2521.911569	2994.753548	2715.293346	2553.691924	2081.021768	2293.190818	2032.711114	2069.780913	2365.905739	1916.492397	2804.13963
0.82_133.0626m/z	133.0625979	0.819	neg													2200.871374	1586.588536	2132.87851	1408.079431	1147.972843	1990.150023	1849.425988	1071.18058	1234.496456	3083.803135	1371.785827	1603.398785	2053.211331	2032.839899	1940.782727	1547.739769	2215.890804	821.5497019	2920.785232
0.82_137.0457m/z	137.0456806	0.816033333	pos													2378144.996	2443832.955	2334377.865	2456900.485	2078546.759	2259901.952	2189198.663	2617909.884	2416453.975	2298062.097	2259675.541	2668775.611	2344670.442	2360462.918	2464916.218	2459879.867	2409599.128	2357498.805	2454842.429
0.82_157.0096m/z	157.0096171	0.816033333	pos													5659.774408	9117.981635	8703.381159	8311.214966	8753.905704	5402.431884	11840.94885	3572.667876	8017.514721	7888.863489	10152.72506	2655.258587	12138.33211	11189.21941	9219.848823	8628.830816	9206.827917	4185.87755	6017.38668
0.82_169.0354m/z	169.0353911	0.816033333	pos													13059.31584	10989.44955	11207.28407	9995.245657	12361.14338	12768.1722	7042.547863	19171.05779	15176.58314	13095.73738	5401.630612	25892.87034	7891.415515	6698.120087	10471.82547	7580.630776	11725.81566	12907.53049	10785.89758
0.82_175.0710m/z	175.0710472	0.819	neg													863.4300074	656.0344587	757.2125951	547.2514264	950.3302677	1242.453327	574.8763257	208.0635711	436.6272906	2603.097219	366.5180632	507.6658397	550.0956923	811.083311	78.03836371	314.1795729	59.67643705	243.3063022	901.9409022
0.82_175.1207n	176.1279595	0.816033333	pos													17235.77165	18112.56814	17752.7611	8230.350496	29367.30181	39377.84639	9695.866878	15939.55263	15095.8998	35981.60191	8120.736236	9840.443278	22951.15509	25446.60366	8149.241389	8449.89965	8220.381744	7482.543268	26977.77648
0.82_176.0375m/z	176.0375053	0.816033333	pos													18491.45796	21028.77988	18822.07412	15543.89665	20735.3484	18492.41129	19880.98299	17927.63481	14482.76242	34037.04772	13578.06676	13981.45536	18524.53559	21889.13124	22882.38658	22318.7432	26335.50057	10617.33281	15136.53979
0.82_185.0557m/z	185.0557009	0.819	neg													1395.70847	1034.818427	1251.194396	711.5305834	673.7509206	1066.695064	1007.298532	706.9112883	303.237006	1892.042499	641.6886189	1145.254533	1672.782767	999.7794117	954.2023781	1046.11402	1362.981759	658.2008872	646.9865165
0.82_188.0554m/z	188.0554303	0.819	neg													1782.579436	2044.066909	2244.261056	3191.062134	2400.152785	2229.626899	2205.986123	1211.939794	753.0899285	1541.299227	1819.712433	2570.039997	2206.939442	1676.20779	1907.910358	1392.473109	1469.175034	2287.343954	1786.682583
0.82_190.9718m/z	190.9717998	0.819	neg													12283.13859	13898.90122	12945.99265	12589.59134	12462.05197	15146.80987	12186.12087	11039.38191	13344.14337	15129.62146	15551.42388	11490.87084	9739.340344	10307.30912	13699.63894	12072.36507	13731.78341	12858.0047	13360.68289
0.82_192.9689m/z	192.968948	0.819	neg													2661.725827	2291.567509	3042.820643	2269.668642	2226.269722	2533.943791	2421.493495	1675.785439	2001.939548	3808.619924	2792.942948	2022.832236	2492.176473	2434.120701	2471.178541	2369.883221	3367.447768	1769.792389	3265.547286
0.82_193.0678m/z	193.0677987	0.816033333	pos													9362.215184	9431.032164	12844.0335	10808.82233	14359.15852	9197.012036	18196.90215	5399.787831	9854.930474	15397.30101	15733.69069	5217.539146	12593.09732	12072.17118	13464.09121	11490.76744	11318.47455	8588.400629	9582.555965
0.82_220.0187n	219.0136859	0.819	neg													70043.68777	83428.01036	73735.67337	68204.80463	79277.83412	70426.42185	79255.5082	59176.19825	71419.73135	82841.46744	85577.63718	66595.55563	70858.41112	75097.92914	76204.65575	76317.67225	73869.34292	64402.66506	68360.2653
0.82_222.9097m/z	222.9096999	0.819	neg													5300.847201	5985.720235	5279.554897	4771.704656	4967.783071	6232.23144	5527.189274	4581.949927	5842.668488	6721.692713	6849.461374	5453.161217	3818.766011	5049.46707	5534.158445	5463.164735	5122.79848	4934.287377	4253.639351
0.82_224.9067m/z	224.9067153	0.819	neg													1074.441167	1095.702775	1462.564183	990.8000595	850.2894122	1279.516209	623.0412607	718.6271155	1095.740616	1823.421729	1316.765869	1169.011271	569.1175788	958.5653089	1323.807341	1156.859463	1223.609888	818.1345365	1217.388749
0.82_228.0483m/z	228.0482705	0.819	neg													1824.890613	1975.85322	1718.753159	1672.907254	2075.794349	2132.947262	1820.347404	1887.243912	859.6348282	2146.74465	1018.97112	842.2491926	1402.224497	1120.756308	1948.709061	1542.708399	1726.831896	1319.422106	1252.868665
0.82_229.9744m/z	229.974409	0.816033333	pos													237467.4866	231852.1539	234520.6559	203185.65	216143.1008	254640.3804	205373.0574	218034.2207	298489.2253	292009.0454	242045.8994	251864.7443	182600.0272	238523.3164	248608.6152	228775.2998	232002.6882	218125.2394	236009.1042
0.82_230.9802m/z	230.9802041	0.819	neg													3168.43783	3729.605275	3580.588224	2616.371422	2548.763472	2901.953785	2906.82353	3424.956793	3518.993062	3300.339649	3595.899248	3668.251317	2222.693201	2599.089066	3567.493512	2881.461942	3733.604571	3138.562352	3290.824716
0.82_232.9828m/z	232.9827758	0.819	neg													5024.006064	3455.550576	3362.946869	6031.615445	7214.49969	3224.006954	10374.59353	2184.116075	3838.781023	5453.460254	10323.11145	2508.136121	9090.652055	9340.397367	8853.809543	8169.595528	7956.279418	2906.869304	3195.925948
0.82_244.0182n	289.0176741	0.819	neg													102101.6409	113004.0263	112606.5272	88475.77369	101846.4925	135852.6407	98987.8913	102509.3484	167216.7157	179174.1632	143124.8901	97985.18831	83555.82711	101964.6928	100418.4908	92399.83546	103532.4668	105023.4522	125506.4493
0.82_248.6052m/z	248.6051812	0.816033333	pos													169240.0456	164895.2815	150648.9565	162261.7605	258277.8985	230862.4576	151521.0857	59695.05423	70475.7916	217324.1274	177570.6484	208406.0197	143355.5616	139120.0142	136424.2995	147292.0303	167240.1312	172412.749	127494.9343
0.82_249.1208n	250.1281411	0.816033333	pos													111211.2857	119918.8842	114928.5409	129306.9642	86015.77566	122335.4139	78884.22074	116994.8505	122857.2891	104575.7916	99160.39349	113180.3958	94849.92375	98701.69238	127457.4756	116401.4191	119841.6135	137864.6168	128888.8887
0.82_252.9728m/z	252.972816	0.819	neg													44437.82626	52606.03082	48085.82355	44959.955	46012.66794	54747.56731	42734.83517	40697.44177	54205.27681	59451.42912	55715.31546	46899.55822	39563.46037	45302.16934	47346.59164	44821.27302	48139.17697	45537.20524	48534.12903
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0.82_260.0458m/z	260.045817	0.819	neg													3855.770743	5149.515348	5054.404981	4391.645744	4321.522899	5040.302278	2278.648846	11885.68026	9907.855674	4690.21937	3103.10151	7138.468969	3845.908907	2443.241823	1899.000836	1793.15106	2737.927598	3621.404938	4250.825556
0.82_271.1277n	254.1243629	0.816033333	pos													354520.9497	376546.7843	387774.0426	389736.3903	318376.0726	410849.1285	320910.8251	376822.3309	337683.8736	356627.4339	334586.0504	435347.5955	365304.0078	350683.7184	359027.9774	343679.5388	392593.4713	362865.1765	474172.8491
0.82_271.9848m/z	271.9848166	0.816033333	pos													25316.63449	31641.23975	30091.24877	28881.63467	39373.7112	16282.00226	53819.44378	12004.09799	28967.87228	29030.0365	53394.32268	11996.01411	56579.7485	70360.94961	49990.44701	47407.35591	42385.39278	16813.68409	22545.99325
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0.82_275.1598m/z	275.1597585	0.816033333	pos													9705.483596	7347.079623	8091.536987	6761.224263	4737.94065	9177.82132	4938.957822	21540.91663	19433.69201	9161.115498	5336.511547	24043.33753	4756.936988	4928.926518	1843.731923	5377.999863	5547.737551	4115.311199	6315.646939
0.82_279.9876m/z	279.9875585	0.819	neg													6383.136573	5609.163277	5251.531799	10282.89526	4761.905568	6018.419642	7945.266794	9150.093392	11909.30709	4746.717579	6788.648514	7071.053716	7242.265897	4759.156051	9220.657577	5934.091564	5671.350197	5903.298349	6631.056191
0.82_288.0954n	289.1026266	0.816033333	pos													29692.01647	29164.44611	32570.72171	33726.80607	31986.93338	34985.30487	26628.90287	19936.25375	32039.38237	44254.45748	29995.55321	56760.13998	25578.6004	22489.53861	22609.71545	28054.28415	26263.25125	27835.2359	27216.02721
0.82_294.9833m/z	294.9833038	0.819	neg													17497.65887	12560.9921	13346.49108	21598.40926	24588.81572	12096.34013	37859.19635	7406.947599	16763.14208	21302.64535	30293.28132	11903.82789	34735.40942	36595.73265	29963.49675	27552.79982	25176.95021	12099.16	15148.6554
0.82_303.9278n	321.9613898	0.816033333	pos													26916.80035	37385.13456	39021.75328	32245.82112	33268.51269	45481.16911	28212.32116	34205.23539	51481.88779	54056.92089	37750.44846	36641.25998	20325.66366	29772.44282	34310.63519	30447.40367	34797.15598	31557.56295	39575.54163
0.82_304.0120m/z	304.0119724	0.819	neg													17144.87066	12877.57401	15167.6916	14369.635	13188.55455	12470.88831	15895.51667	13374.98637	11399.36906	15152.48006	14325.2664	11646.24563	15246.54879	12621.50107	12065.884	15320.31324	15427.44734	15189.60575	17680.48785
0.82_304.9840m/z	304.9839531	0.819	neg													7058.080643	7676.477518	8056.054239	8489.123707	7465.759834	6972.372938	6936.715767	8488.717943	6475.283859	7809.81249	6128.593582	8124.360652	6290.393086	6390.87706	7079.808269	7626.072181	8660.128247	7639.789599	9962.914301
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0.82_313.0167m/z	313.016677	0.819	neg													796.5953798	1294.463226	1193.4105	1302.26036	1049.006905	351.6819544	830.737728	1185.357316	1242.204918	840.2931838	1476.562378	1521.045001	0.000297236	1277.027087	872.8620903	1076.177344	632.2566035	687.4501188	944.0491388
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0.82_320.9548m/z	320.954818	0.819	neg													4665.34968	3872.975273	4132.454941	2855.225059	2843.444153	5319.499528	3525.696245	3878.427021	8563.331012	8499.284541	5185.000573	4285.888674	2194.502125	3677.58524	3151.285674	3430.109568	3687.348187	3598.797379	5249.876147
0.82_322.9705m/z	322.9704692	0.816033333	pos													24383.82828	22377.16687	26055.29876	17728.67141	17333.04938	32846.53272	19540.67267	25108.75858	34788.74086	32719.80972	25079.14424	23957.90854	15910.94492	19140.42335	25266.83079	19048.97545	22867.73543	22287.09238	28246.99674
0.82_329.9093m/z	329.9093452	0.819	neg													1314.366951	1521.598699	1525.537994	2396.248498	1008.979542	1827.580325	2267.853485	3242.079187	2713.399502	2161.424075	1608.747801	1451.315979	1603.23636	1457.702891	798.824457	1056.337402	1547.654315	1454.513562	1926.395741
0.82_331.0282m/z	331.0282226	0.819	neg													43731.00105	29751.38322	36705.69081	35804.07888	48797.08034	31267.38818	63182.71805	20861.10506	54191.67721	59794.05262	71677.51744	25300.09133	56581.90979	76171.59336	54947.3015	50449.61429	55431.21541	27517.57703	38452.63078
0.82_342.9360m/z	342.9360348	0.819	neg													3659.172515	3206.659446	3869.546128	2209.748985	2426.183054	3172.379674	2748.438198	2276.866394	3994.092405	7676.160234	4039.6241	3479.712137	2276.467827	2633.218786	3237.280558	2197.441698	3205.122037	1861.121633	2810.337642
0.82_350.9499m/z	350.9499408	0.819	neg													7180.757297	5984.917924	7306.045731	6244.965918	5840.365977	5886.720879	5282.737285	5090.373836	5453.545061	10755.54306	5785.671367	6243.903749	5335.061463	6479.794157	5587.409217	6864.283118	8794.664588	4435.511937	6805.356838
0.82_376.9507m/z	376.9507331	0.819	neg													6914.576057	8828.289005	7416.30823	6139.570133	4095.502299	13931.29297	4784.252334	15781.39984	18976.42007	11864.24482	4074.546606	8990.483009	4073.815059	3025.190948	3482.697008	4754.740495	6228.46153	5944.836414	7862.526722
0.82_408.9773m/z	408.9773152	0.819	neg													5109.276632	6564.384715	8694.739316	5927.204058	6190.433792	10398.87495	5384.992434	7664.518573	11688.26578	12892.43593	8127.90991	8437.175891	4968.117248	6067.792876	3263.635368	5974.728772	6149.428021	6866.486452	7678.510016
0.82_446.0611m/z	446.0610829	0.819	neg													2730.367291	2852.962104	3465.973945	1689.215503	448.6235177	3400.624728	854.439454	3390.844452	3264.15652	1998.027947	2826.897947	2967.161027	1789.730371	1172.850263	2644.167372	1769.888674	1190.723893	2504.630354	4148.015254
0.82_450.0326m/z	450.0326281	0.819	neg													3251.570354	2606.442366	3498.036778	2978.243996	502.4205881	2595.553919	1495.325954	1909.602809	2943.874982	3650.153519	2540.936523	2550.099232	2573.958754	737.7879567	2479.894377	1597.795175	2531.38031	2655.300756	4561.632708
0.82_450.9876m/z	450.9876205	0.819	neg													3178.707904	2222.932389	1955.205612	3309.455429	4044.055337	2676.847803	6370.848511	859.6883822	2073.652041	5550.486764	5166.013934	1081.73316	6734.321565	5019.055323	2149.988434	4510.745983	3636.041354	1541.905576	4001.401964
0.83_114.0381m/z	114.0381131	0.833416667	pos													13982.81063	14794.39127	15548.42171	14486.67721	13139.93684	14130.0187	12797.87005	14778.56766	16097.63532	13795.05395	13916.0467	17217.57407	14275.52465	13428.13897	17036.62712	15652.5422	14916.40668	13753.95825	13877.95124
0.83_233.9455m/z	233.9455319	0.833416667	pos													10946.0347	10613.46595	11051.42518	9889.871259	8162.835178	8578.719624	10332.00505	14142.46104	13543.09377	11954.29743	11003.12174	12790.01654	9657.507157	12560.21346	11542.63392	10905.17983	8609.4056	11453.87832	9619.957542
0.83_286.0965m/z	286.0964667	0.833416667	pos													179667.7162	200751.7433	189016.7747	204214.2576	169879.3761	172477.3739	175385.7399	171408.1575	169096.7567	174278.0191	161127.889	211325.354	192550.5106	185419.3774	191130.884	170139.97	193697.0806	197888.5942	242205.4206
0.83_313.0464n	336.035528	0.833416667	pos													49677.70904	50365.46604	48195.65324	61181.04186	26600.0951	47686.43065	38390.56305	59406.53519	48943.6316	30051.99375	43570.33098	46391.70855	44418.46582	42455.93896	53105.95181	47783.07748	48409.2618	57907.71928	57195.56235
0.83_327.9510m/z	327.9509583	0.833416667	pos													12084.07278	16401.33099	15792.5658	15651.13745	13041.23812	17674.2857	14534.43612	10717.90428	20920.31721	18883.22194	16164.20534	11860.14865	12242.64335	14450.47699	15668.57502	16310.11207	15261.5804	12918.52643	16665.06961
0.84_111.0185m/z	111.0184791	0.837816667	neg													165444.864	162598.4559	169336.4715	172413.6582	157915.0441	169525.9987	143804.7932	177474.4694	167947.8844	167924.3131	166024.4132	193371.8185	168963.3168	160747.5856	180927.5765	175411.2527	172504.2853	179441.5297	169790.4645
0.84_116.0338m/z	116.0338234	0.837816667	neg													2746.926666	2848.054003	2775.242126	2231.31344	3041.52488	2385.432108	2608.324683	3861.769176	4248.485706	2774.725664	2464.086449	2734.106493	2829.95119	2805.537552	2366.149809	2035.815834	2675.750724	2793.327092	2419.993232
0.84_119.0335m/z	119.0335175	0.837816667	neg													32109.90421	34944.99719	33422.10929	35749.30856	32633.27984	25803.35097	29151.34679	62576.19502	56192.67679	25860.52658	29667.23629	49545.48937	36243.13169	27957.29392	20373.18965	17569.12996	23128.27329	27708.02163	28861.22506
0.84_142.9973m/z	142.9972689	0.837816667	neg													31413.36945	29793.78746	28490.40514	28618.15748	30681.25241	22896.14336	35917.68359	18948.32679	22988.591	29419.37452	33091.2538	19442.99562	36019.24033	35055.98285	32635.21978	34671.82778	31879.96644	26420.99747	27274.72934
0.84_145.0129m/z	145.0129247	0.837816667	neg													16544.52584	17568.55946	17594.23908	19801.9011	16780.2645	14903.04764	16018.72286	20276.97393	17490.38554	13534.70189	15326.12568	21236.18112	14784.88079	13730.61629	16410.15895	15299.08503	16869.76744	18924.38205	18989.45842
0.84_149.0498n	148.0424813	0.837816667	neg													96471.74695	92588.70374	102381.3427	105075.223	101901.9916	98814.39863	95545.06265	81088.40321	73250.94448	103086.3019	109804.8487	84164.26967	102529.1589	100144.2321	105745.8133	98152.86815	100277.8515	105927.2205	120853.1825
0.84_166.9950m/z	166.9949629	0.837816667	neg													1693.247374	1892.181462	2051.55405	1614.940558	2046.592375	1410.937106	3045.672205	1243.99332	1749.22835	1562.577662	2207.705743	1289.556641	1989.468615	2302.376262	2029.04168	2326.627453	2381.790526	1503.892387	1183.716374
0.84_176.0012m/z	176.0011597	0.837816667	neg													2478.516814	2201.593468	1943.657089	1001.549541	405.6869406	623.7188179	449.8724205	11164.56942	12405.76579	683.7700285	388.4909811	6623.335833	537.9179715	348.2862746	533.4607469	417.7961508	429.5633564	651.7949992	686.7818317
0.84_176.9925m/z	176.9924847	0.837816667	neg													577.7770402	872.5849236	808.2862015	638.6224821	522.2471224	408.8630964	409.7197412	1703.749407	906.7861523	369.18282	493.3026042	854.3033396	879.1139479	691.9325593	355.0791153	224.6514505	414.0781258	596.1875575	464.5360213
0.84_186.8551m/z	186.855091	0.837816667	neg													966.6857607	811.4497856	870.599472	836.3896444	680.7448075	373.479139	1067.252975	1438.380639	808.9763702	497.6789443	1069.709652	910.5623892	1035.741148	945.8302451	1174.143501	841.8541965	1075.572139	1142.90486	603.233794
0.84_192.9888m/z	192.9888493	0.837816667	neg													4677.531933	4965.824493	5328.025455	5256.3437	4627.854441	4601.074932	4904.161506	4883.745624	3775.003015	4762.8386	5939.895054	4709.982106	5078.569022	4835.696657	5763.786961	5473.351186	5855.513699	5467.971015	4380.062341
0.84_207.9985m/z	207.9985174	0.837816667	neg													2868.397283	2703.48049	3293.582541	2657.975615	2573.739592	2980.584613	3584.331259	2473.430942	1975.869769	2923.134326	3533.927401	2905.280684	3447.948966	2937.502534	2739.513162	3035.588802	3589.117307	3412.814427	3160.517825
0.84_212.9540m/z	212.9540459	0.837816667	neg													3793.346287	3686.85268	3701.937225	3648.080567	2961.071915	4192.294854	3792.051805	3236.781913	3410.713851	4816.594699	4863.05637	3006.797542	2928.128787	2659.330101	3519.740398	4062.181774	4479.363565	3966.290736	3148.722353
0.84_217.9911m/z	217.9911267	0.837816667	neg													14459.303	16387.63512	15925.99882	15508.68154	15287.78007	19215.11524	13248.80273	14414.62733	17461.86846	19332.41727	17542.65504	16059.71034	12070.37361	12918.3496	14959.79658	13991.8143	15088.39619	16137.23447	17357.46017
0.84_238.9839m/z	238.9838714	0.837816667	neg													319.9843322	282.1579805	314.9894869	0.000297236	116.3050905	0.000297236	183.7773445	1230.858958	1322.887766	0.000297236	458.9194884	622.7011431	385.4076854	276.0086761	0.000297236	0.000297236	413.0102795	231.9136571	0.000297236
0.84_238.9933m/z	238.9933274	0.837816667	neg													3634.658934	3614.490355	3425.653374	2774.643834	6081.051421	2806.53494	4037.488504	5103.566514	5096.591406	3472.391069	2648.190615	3643.376559	4860.832939	3513.986459	3813.697069	2824.985699	3189.93154	3006.55677	1946.814134
0.84_246.0205m/z	246.0204945	0.837816667	neg													6877.657379	6431.869938	7098.136735	7289.960679	6909.507868	7231.728218	6194.06023	5245.255869	4729.730358	7148.245279	7563.716697	6594.170793	6976.245887	6960.124193	7572.024007	7484.995873	7885.552493	6768.392369	8168.449014
0.84_254.0152m/z	254.0151667	0.837816667	neg													84278.05858	65002.97333	71052.31323	70712.42877	78359.85703	49248.28459	98252.92174	47739.7074	64581.56193	74387.14161	74629.03832	50250.66966	102144.6067	100570.7693	86998.79455	89340.98096	83927.30221	60866.16379	70905.99309
0.84_261.9416m/z	261.9415696	0.837816667	neg													826.1066651	964.7156205	981.4817963	108.9924211	482.7468113	508.326497	0.000297236	3845.292816	3703.37519	1576.330138	139.2556368	1617.847273	92.22435631	603.9374292	315.8204187	394.5606086	728.2745314	0.000297236	248.7935271
0.84_262.9742m/z	262.9742239	0.837816667	neg													1257.060033	1237.211237	1264.948044	1325.514617	1206.463622	1112.21066	987.7052215	844.6631512	966.2578911	1324.6819	1505.954995	1026.116287	1264.601543	986.894048	1183.634603	1640.153494	1214.546153	1099.028936	769.2405614
0.84_263.0071n	262.0018226	0.837816667	neg													16610.98818	16380.77177	15716.85213	17586.86008	16937.12307	15314.55813	17744.77146	14828.76049	11723.87887	14657.19229	16215.5359	16251.5483	16238.20537	16489.96924	18175.61132	19006.40212	17228.40235	17606.35431	15480.756
0.84_268.0025m/z	268.0025265	0.837816667	neg													11661.5592	11476.72142	13275.06056	12508.36667	13566.71223	12951.83107	12763.02185	8952.508626	8378.010133	11167.63097	12418.17583	11068.28353	12357.9554	13936.61227	13452.78738	13825.00379	13687.5868	14210.17009	12814.33741
0.84_274.9551m/z	274.9551167	0.837816667	neg													14026.82002	14817.29886	15437.1844	12637.46184	14250.07772	16549.43648	12063.37632	13792.71568	15369.68698	19424.62038	15427.69773	12862.06173	12103.57775	13148.68457	12363.23725	14088.19489	14249.45467	15588.32118	13811.6055
0.84_284.0186m/z	284.0186183	0.837816667	neg													25134.28114	26342.11364	27109.71807	34226.94596	29116.06467	27255.37588	32350.98209	23931.42187	27989.1761	25209.25472	34487.9185	19586.53971	31951.1406	30735.78286	27061.70728	27206.49533	29148.46166	30996.68242	28804.31051
0.84_293.9742m/z	293.9742298	0.837816667	neg													14984.0472	12819.40697	13134.89849	13930.79604	15133.73204	11240.28001	22822.53156	10091.51348	11527.87972	14269.96343	17588.79612	9859.615668	20442.32399	24041.14953	19010.95119	17154.2242	20484.28481	11804.96574	12145.46847
0.84_296.9275m/z	296.9274828	0.837816667	neg													721.1302973	1312.325196	1015.42857	1486.390202	1272.856186	1236.789928	1564.613675	1652.331519	1591.439128	1488.469974	1433.505214	905.3404354	196.2176337	1137.641536	1349.341538	862.9831591	871.4931601	330.5290638	929.9907425
0.84_310.9786m/z	310.9785624	0.837816667	neg													643.0380806	565.5317456	718.8281357	0.000297236	210.4390032	0.000297236	178.0188716	1464.604428	1790.306405	968.584762	189.1022715	504.3041112	107.6327207	145.1564639	0.000297236	270.8454684	934.0046273	0.000297236	147.2014469
0.84_319.0773m/z	319.0772922	0.837816667	neg													6783.178756	6499.078921	7567.039182	8006.097675	7225.343192	6602.083672	7014.357044	5339.71662	4678.373241	8136.080814	8091.587636	6643.869751	8039.210306	7633.631419	7573.143326	7283.64734	7756.010626	7426.506506	12014.22074
0.84_328.1071m/z	328.1070649	0.837816667	neg													2056.623653	2872.161715	2886.532191	3159.32501	3147.054968	2404.960463	2767.030795	2773.981732	1307.679973	3157.654022	3652.224621	2326.161241	1756.411698	2540.681751	2403.192459	2580.546135	3103.762444	2584.38963	3221.449584
0.84_331.9078m/z	331.9078208	0.837816667	neg													814.4741466	838.7141402	1217.415126	1314.347102	602.7465381	1790.578899	911.857134	1030.904348	1265.575605	1412.359682	703.5698985	689.7461792	1137.327992	843.3320054	482.7148263	800.1744602	1293.254121	478.1450345	935.6748852
0.84_332.9825m/z	332.9824954	0.837816667	neg													11614.84408	11516.70274	13612.1571	14751.7514	7960.561486	12630.93393	8801.142831	14232.19976	15799.19362	12217.47533	12769.09124	15207.24752	10247.21503	10178.78914	10814.60555	10683.24026	12794.39805	13662.02551	14403.24599
0.84_333.9075m/z	333.9075122	0.837816667	neg													5411.226423	5276.773606	5271.515465	6087.669208	4767.643075	8125.388547	5446.669106	7717.152461	8703.454935	5869.584053	4091.684245	5259.467783	5423.149887	4698.198937	3103.772221	5089.725635	6313.144218	4375.082449	6300.612077
0.84_334.9771m/z	334.9770932	0.837816667	neg													3764.305651	3064.823501	4023.604599	3854.95614	4102.399559	4333.820753	2979.792515	2681.733875	2657.593039	3914.365948	3960.778519	3614.329834	2773.822499	3211.968544	3352.819371	3533.744779	3837.774818	4654.22408	4336.761272
0.84_335.9083m/z	335.9082825	0.837816667	neg													5396.98984	4873.57443	4652.429026	5850.427716	2457.589869	6574.519266	6513.12501	6645.436536	6906.52915	4637.137492	4321.660259	4854.095651	5352.983315	3626.884044	3492.943377	4076.169945	4862.346431	4146.960288	6053.598946
0.84_340.0706m/z	340.0706104	0.837816667	neg													13008.20692	9780.409076	12871.41645	12246.42405	14864.74817	8613.234852	13386.38023	5665.423287	5733.11989	11832.57072	16176.51795	6459.213665	18257.20985	18544.58416	15371.46868	13967.70814	13723.3839	9221.52903	13233.82736
0.84_352.0061m/z	352.0061436	0.837816667	neg													8276.427754	9155.068046	10239.16978	10603.3256	11462.42377	9289.540145	13276.98294	6882.827438	8395.962389	12750.41381	14271.1201	7044.192348	12126.9382	14578.14825	10874.49038	13370.16071	13143.17107	8988.705854	9059.493147
0.84_354.0848m/z	354.0848038	0.837816667	neg													5237.224925	6933.506352	6191.035126	5597.694847	7850.997724	3857.361809	6441.852184	4593.431563	5069.501446	6363.055778	7330.413666	5248.795817	6076.405852	5031.811026	6260.560298	5110.792068	4740.39775	5319.966365	7468.484769
0.84_359.9420m/z	359.9419891	0.837816667	neg													2362.335536	2720.592538	3747.667749	2754.39598	2973.212617	4297.369453	3161.479766	1212.585175	1881.394889	3755.89616	2761.577847	2589.868093	2987.01089	3490.033726	2411.300815	2774.61725	3628.762804	2462.328954	4331.013357
0.84_361.9605m/z	361.9604713	0.837816667	neg													6643.806227	4703.166468	6514.778717	5313.405836	6459.939089	4573.927572	7024.716178	2513.543838	3356.362985	8882.181337	8107.864566	4123.363731	6752.21979	8759.663294	6188.488772	7490.927546	7049.470135	4264.475636	4502.731216
0.84_372.9314m/z	372.9314161	0.837816667	neg													6052.430786	6607.72903	6336.481928	3870.477601	5801.368481	6019.39072	4861.451646	6361.779085	7335.164316	8905.9189	6010.749464	6209.371896	4904.100229	4597.920006	6419.562924	5444.449193	7156.939573	5345.26885	6560.101623
0.84_377.0838m/z	377.0837717	0.837816667	neg													26657.32727	23983.46973	25860.39077	23842.46225	20294.53975	20991.73704	18009.45494	31493.22533	37616.27999	26042.87524	25080.88687	32411.9145	16620.02051	12349.03584	16128.21612	13035.17608	13966.19222	20013.72872	36012.31215
0.84_387.0641m/z	387.0641385	0.837816667	neg													1770.534993	1738.002163	2325.084736	2027.917786	2396.195935	1717.962257	1430.312388	1804.821039	765.1463352	1706.577227	2520.439753	1773.33862	1888.745237	2065.723808	2148.391573	1834.905114	2320.60871	2275.140128	3050.155631
0.84_392.9823m/z	392.9822754	0.837816667	neg													1319.344593	1390.343013	1552.690653	717.2227139	595.6246072	0.000297236	345.6596861	5822.830503	4453.673087	2602.449821	971.7602474	1859.002531	347.7930621	208.3934631	496.1607109	510.4082044	808.6131854	1109.059857	269.2706509
0.84_397.0201m/z	397.0200725	0.837816667	neg													2128.955992	1502.35494	2226.164612	2777.671876	2110.008099	2247.348457	1442.029938	1311.631616	1320.676699	1989.191051	2355.597937	2640.48786	1893.407058	2695.29912	1886.476745	2130.380497	2302.158819	2259.98949	2784.316872
0.84_403.9780m/z	403.9779516	0.837816667	neg													1849.826088	1501.062678	1929.062851	2449.354459	1677.217282	1889.634885	3148.014082	1146.631964	1222.169849	1856.831149	2258.473017	1885.02928	2737.112065	4375.46372	3481.611538	2863.959547	1578.742895	3089.189889	2067.905396
0.85_144.9827n	127.9794102	0.850933333	pos													18122.21317	18760.29092	18158.31484	19165.90664	18642.78929	16946.28782	18995.98993	17491.51338	18338.49054	19336.25264	19828.07824	15453.05359	18681.67698	17491.40378	19509.97327	19844.58395	18892.84985	18601.73896	16133.22195
0.85_182.9850m/z	182.9850452	0.850933333	pos													6359176.353	6040159.019	6312903.724	6455261.666	6039677.728	6016095.275	6188548.715	6131039.266	6193996.377	6370282.485	6563503.113	6436236.543	6497043.451	6561900.495	6844934.088	6851496.595	6466172.195	6711026.75	6072038.502
0.85_207.9800m/z	207.9800432	0.850933333	pos													3753.88588	3760.290715	3944.832833	5365.90761	4774.417016	4102.095426	2723.306402	3954.024154	5314.889001	3991.664656	3991.685467	3289.197754	5092.366394	3950.441905	4909.23252	4696.517544	4851.889428	4083.10973	4283.669228
0.85_226.9716n	227.9789235	0.850933333	pos													11974.81056	13915.22732	13448.90257	13260.79061	14718.48139	14302.78979	12306.94371	9002.274951	15508.3532	16154.61465	14407.39065	9184.025517	12607.56442	10951.02807	13094.37573	12998.42026	13298.07468	10868.87793	13838.92565
0.85_236.9703m/z	236.9702579	0.850933333	pos													16667.33391	15955.80678	15218.14579	17656.59222	12398.63188	12895.04753	15814.55793	14522.82314	14734.46224	13967.32684	16463.48264	12403.31501	15303.5325	16808.92405	15814.5624	17792.01655	17829.97381	15774.78037	15159.33896
0.85_238.9986m/z	238.9985597	0.850933333	pos													8681.698339	9136.053263	6673.949991	8336.988646	7052.67241	6305.849369	10381.8142	7259.889221	7304.30903	6578.9615	9992.298085	6546.526187	9220.421237	8787.208996	8837.30306	11067.44339	8516.354139	7304.199726	4646.505518
0.85_253.9856m/z	253.9855503	0.850933333	pos													14000.58603	15724.48985	13885.82965	17981.07588	16085.77266	14237.69771	13100.32546	13759.29252	14299.34004	14019.46177	12055.6792	13737.75713	16199.8708	16189.02258	17492.19278	17587.97781	15389.56008	16051.5278	15875.40938
0.85_272.0767n	295.0659379	0.850933333	pos													732122.5825	770814.2517	737325.8383	752680.4698	686156.7654	670132.2841	670163.8101	692643.8315	653080.8798	713249.3604	670435.6664	819445.7546	795857.6642	781227.6361	776319.581	824044.626	836726.1761	820120.2888	756828.5786
0.85_305.9569m/z	305.9569452	0.850933333	pos													19351.79387	24406.94804	21493.02655	25922.86773	18495.44132	21983.74671	16807.12584	19160.99587	21718.12369	19675.27956	18679.19778	19799.60395	27917.0329	23880.69154	26975.4253	28515.3934	24248.45881	22470.84382	20267.77497
0.85_396.9728m/z	396.9727908	0.850933333	pos													8850.152731	6148.320805	9004.650235	6683.065727	6813.690938	7353.333676	7628.718778	8718.094566	8594.048625	5825.682126	10053.68588	10170.32458	6802.113282	6291.133884	6089.309652	7059.098361	5333.686073	7592.040296	9049.733033
0.86_120.0110m/z	120.0110062	0.85685	neg													334.0342945	394.8997397	307.5680019	400.5708193	310.3233876	365.7874102	310.3785078	318.371654	262.9024691	362.2017815	381.517256	404.2463432	449.7670951	322.1559768	332.7862373	314.4142263	391.4540717	283.3007281	515.8028404
0.86_152.0219m/z	152.0219315	0.85685	neg													1958.404908	2180.095716	2109.705169	1948.754735	2192.231169	2285.876568	1518.963425	2031.223599	1838.072933	2340.397869	1657.77657	2665.565553	2228.001641	1757.226034	2256.71393	2234.670962	2390.585246	2525.271533	2903.737211
0.86_174.0115m/z	174.011496	0.85685	neg													4613.170253	4732.969118	5296.767895	6351.652715	5560.438269	4320.147215	4944.314741	3508.559572	3357.115659	4414.654368	4562.29143	3532.431597	5930.729877	5331.168974	4894.841119	4310.487008	4850.573814	4983.628288	7645.816822
0.86_179.0063m/z	179.0063098	0.85685	neg													8156.113423	9247.270815	9385.441966	8938.720371	8423.685743	9164.960835	8198.312685	10009.41523	8966.228918	8557.994524	8621.140255	9836.702886	8657.798808	8888.585856	9942.015692	11008.15256	9605.464641	10423.12778	7139.746994
0.86_181.9366m/z	181.9366269	0.85685	neg													2054.362103	2228.248908	1885.841885	2373.945485	2121.505103	1677.301749	2291.883648	2601.398391	2076.916799	1861.305766	2355.62132	2169.424123	1963.660544	2303.31681	2679.716267	2182.958759	2245.543167	2050.300459	1812.996269
0.86_190.8874m/z	190.8874103	0.85685	neg													772.7718616	689.0832705	455.9466679	549.6306471	768.7638949	568.0079466	909.72087	1031.904133	741.6173544	835.4782346	690.603852	718.3719137	640.296561	484.0799782	792.4800847	781.6238382	645.4726008	866.7779928	512.5093946
0.86_194.9858m/z	194.9858363	0.85685	neg													1500.989793	1034.568962	1405.712616	1514.587484	1054.260116	1215.746099	1332.542088	1197.457148	890.4667245	1236.148507	1309.797673	1120.887267	1429.423674	1291.746608	1464.637248	1549.294526	1586.494886	1386.015151	1344.538797
0.86_205.0188n	409.0263006	0.85685	neg													5182.915347	5045.198298	6097.312728	6925.18192	5949.187873	4256.514177	5860.807545	7843.035586	8442.087781	4378.635075	5559.319152	5973.092797	6455.316292	5845.608608	3888.208706	4752.100045	4120.489618	4565.510752	5682.189596
0.86_206.0015m/z	206.0015263	0.85685	neg													5916.823428	6076.781443	6952.251251	6044.655809	6600.320504	6360.204142	6430.048507	4532.845633	3984.727779	6051.281576	7528.302491	4442.6492	6846.753033	6044.015533	7272.37907	6745.035905	6835.307509	7140.103894	7050.919975
0.86_210.9820m/z	210.9820242	0.85685	neg													8481.918567	6702.01713	7203.541291	7585.329609	8015.368804	5421.812918	9578.19309	5495.582631	6868.577093	7271.359317	8056.158304	4452.742092	10587.81963	9843.04412	8892.732081	11241.40416	8623.122568	8417.802049	7091.071496
0.86_214.0210m/z	214.0210349	0.85685	neg													8884.355154	8139.276345	8834.920663	8424.724844	8370.046552	8815.787376	5239.079752	8837.749021	6380.861675	8689.948985	6062.12891	10179.77576	7628.529233	6595.285968	8347.508845	7217.963523	8349.645807	9358.682274	11213.8843
0.86_216.9091m/z	216.9091009	0.85685	neg													4139.400071	4251.043633	4207.641859	5056.649143	3321.23523	1680.243299	5064.469974	7807.525285	6807.508984	2032.440493	4758.959969	4467.66895	3585.207769	4838.989454	5687.337976	3117.163196	5627.301264	2922.769741	2927.937276
0.86_219.0344n	218.0262432	0.85685	neg													2858.80894	2380.566118	2672.448984	3735.881912	3627.500911	2832.057046	3414.248318	1750.84573	1770.903926	3199.629415	4163.226412	2807.160068	3278.305762	4473.852725	4033.133923	3664.474905	4058.484937	2967.973494	2876.832986
0.86_220.0082m/z	220.0082084	0.85685	neg													3806.176074	4752.860823	4970.407516	4715.279539	4113.846954	4309.451332	4584.954763	4335.786806	4366.585078	4373.828844	4392.573014	4315.86313	4601.449038	4601.411851	4806.107322	5938.607939	5259.474926	4634.604662	3941.82019
0.86_230.9674m/z	230.9674315	0.85685	neg													2279.222402	2168.374267	2300.31037	3059.647438	2647.66257	2298.173419	3287.231412	1596.911068	1450.499886	2064.400508	2722.923543	1446.59224	2634.443862	2195.293786	2723.245237	2501.801612	2723.256001	2415.612877	2608.328471
0.86_231.8944m/z	231.8943501	0.85685	neg													459.5258829	484.1210931	436.6359308	418.3436419	375.4926165	371.7007219	320.8750362	502.4529913	378.3829172	436.8067923	445.3097865	515.3874664	353.0266377	295.0251454	390.6168746	443.268582	498.0838414	345.2029247	193.3061924
0.86_234.9269m/z	234.9269397	0.85685	neg													1730.542093	1293.166922	1430.168228	1639.744819	1317.560265	1074.08661	2870.746145	1323.868259	1751.102861	1530.881309	2294.96994	1219.730517	2247.789469	3414.06727	1731.858296	2038.046516	1718.564018	1200.035407	1020.251937
0.86_236.0040m/z	236.0039723	0.85685	neg													23220.95654	20960.98106	23230.00166	21763.59174	23620.39366	17907.70732	24001.42148	15673.93067	18447.61341	22818.50072	21287.34719	17963.96349	27133.95965	28236.11087	26947.5972	27771.14629	25853.89358	21427.55885	22042.10631
0.86_248.9933m/z	248.9933068	0.85685	neg													756.1113482	456.821093	607.4297967	643.6196559	309.0701236	307.0304115	0.000297236	657.1211476	225.1416352	0.000297236	351.3710675	845.9926894	407.0184121	458.2151904	690.188165	316.5797625	509.8583625	477.380324	785.347321
0.86_249.0027m/z	249.0026784	0.85685	neg													11600.5254	10255.80401	11887.9207	11107.94825	11242.22583	11331.70036	9043.437461	10365.30058	8402.480736	12089.43571	9566.377444	14447.80801	12111.97485	10152.42771	11791.54824	10767.07033	12312.04737	12367.87948	15023.8513
0.86_254.9897m/z	254.9897042	0.85685	neg													12264.18161	12674.54681	14547.96399	12903.53926	10800.1843	12404.04497	13076.59793	8700.309679	10904.89609	12274.32922	14937.9743	13323.63785	14502.90443	12293.98259	12122.89521	15104.03431	13623.16565	14160.29984	11716.94438
0.86_256.9501m/z	256.9501116	0.85685	neg													3112.955804	2800.564766	2646.499817	2754.970934	2652.112526	3119.77781	2861.186395	3067.638485	3029.604881	2648.670205	2709.789108	3589.06879	2982.799643	3440.953242	3642.229563	3431.95679	3627.76435	2550.867678	2319.884765
0.86_258.9911n	257.9865888	0.85685	neg													2586.28681	3396.848199	3229.309959	4220.929362	3633.689795	4124.361502	2994.592981	2279.932587	2353.601822	2802.819692	3205.060848	2293.871765	3241.058688	3264.447408	3209.384788	3262.0766	3669.634658	3749.840415	4467.468299
0.86_260.9772m/z	260.977228	0.85685	neg													4403.815307	4522.219189	5259.489059	5097.695357	4482.796147	4755.057673	5105.673023	5588.660158	3858.050801	4430.429068	5775.399156	4092.610734	5220.578606	4742.287238	4938.024498	6042.935108	5513.49165	5675.699276	4405.55903
0.86_271.0061m/z	271.0060949	0.85685	neg													18339.29494	20713.31511	20437.63034	20191.44532	18978.30645	19636.28988	20559.31395	21622.3735	19077.18673	17837.84599	22763.68665	18930.22874	19637.15409	18277.09326	20411.35307	23135.52007	21562.68754	22561.21497	17314.48076
0.86_274.9457m/z	274.9457261	0.85685	neg													3021.892746	3104.323028	3135.578123	2398.722234	2358.392267	2296.709814	2949.712577	4140.413094	4360.743334	2721.022405	4386.999799	3277.245635	1837.469521	2384.299434	4023.664289	2074.307528	2799.584065	1884.191316	2059.049548
0.86_279.0389m/z	279.0389064	0.85685	neg													122266.4807	111192.5018	114346.6633	134188.864	109746.8615	94561.40745	110493.1743	126914.9806	148914.8894	104311.9173	123084.156	114430.7936	103807.0161	88110.67717	94656.92726	83241.31057	88282.96621	105336.0988	130260.7641
0.86_283.9024m/z	283.9024483	0.85685	neg													4094.449403	5288.803202	4826.573185	4325.142442	4227.580832	5844.83155	5344.644499	5161.731166	5759.567508	5512.723245	6160.932431	4720.876127	4911.187588	4494.798784	4247.574345	4506.702889	4622.89015	4699.326935	5068.232062
0.86_283.9452m/z	283.9451907	0.85685	neg													2150.33865	2389.89733	2155.828903	2485.114635	2208.213793	2345.93184	2805.42951	1949.609705	1374.081044	2409.586927	3414.714025	2075.039806	3027.437495	2151.325293	2700.636519	2785.376118	2460.626367	2531.018839	1921.367349
0.86_289.9366m/z	289.936596	0.85685	neg													6665.275453	6860.433991	6922.216704	4550.4338	4647.089444	4079.316702	3958.194175	24546.2904	23323.63156	13544.56824	3798.107802	7558.159384	3740.007402	4860.983511	3775.087767	4544.797312	6222.194141	4938.320314	3994.626191
0.86_291.9519n	336.9562634	0.85685	neg													4538.434506	6344.555656	4457.168208	5381.23526	4517.025119	4301.172878	6181.916961	3216.114528	4306.928757	6549.752489	5994.671021	5182.624617	6022.603069	5238.90222	4320.122218	6585.148677	5829.094712	5006.352921	5409.12687
0.86_293.9750n	292.9677363	0.85685	neg													13286.33384	11758.82074	14086.20179	16343.00969	15495.82837	12570.14089	14955.70939	10143.75793	9499.367585	12322.45727	15556.39793	11419.09804	16899.84254	15651.48521	15942.69201	16322.61215	15814.45075	14713.33416	16293.08447
0.86_306.0579m/z	306.0578659	0.85685	neg													163899.7945	149193.0799	154634.6264	178564.3286	147427.193	124187.3296	135539.9065	179516.9331	224393.5942	143009.0598	143022.1784	175790.6252	132986.936	120965.2002	118251.5559	109946.3261	115195.1794	141184.3473	178414.2629
0.86_312.9485m/z	312.9484827	0.85685	neg													3521.775215	3396.902056	4466.040487	3428.991878	4375.348595	3619.000857	3504.43552	3703.039603	2433.836608	4069.061408	4719.370551	2822.622514	4075.032841	3716.26893	5037.720365	5035.409413	3657.98454	4317.673076	3437.612786
0.86_322.9139m/z	322.9139484	0.85685	neg													1776.265381	1857.794206	1620.969551	2065.674943	1961.393824	1727.973653	1921.566416	2098.872397	1334.173425	1553.079514	1999.864651	1190.499131	1977.578913	1785.733814	2280.072563	2757.298139	1922.948883	2013.434086	603.1839478
0.86_322.9773m/z	322.9772982	0.85685	neg													9449.873268	10468.62709	10512.38761	11756.66988	9862.409293	9983.374704	10965.1861	10836.61921	9588.665384	10446.77135	10686.12643	10307.63871	10696.39223	9442.13928	11115.02534	13048.50466	11110.44643	11024.3738	9133.801812
0.86_325.0169m/z	325.0168598	0.85685	neg													6353.273897	6487.631416	6974.497411	9820.114756	4474.252629	8848.939292	3666.293628	10072.71303	9846.489442	5527.278874	6337.123483	9511.523394	6617.828084	5178.957854	5920.916903	4906.937681	6376.033186	7524.938063	10059.92542
0.86_332.9245m/z	332.9244762	0.85685	neg													3701.236816	5784.281735	4653.131469	7047.178801	2391.823793	7433.047567	5471.201367	9279.507152	8153.943243	3069.401242	3848.428076	5915.839384	3283.649731	3620.140581	3058.585676	2038.053453	3865.545043	3846.600175	3490.005419
0.86_341.0388m/z	341.0387846	0.85685	neg													66629.13966	60608.28388	64456.25485	68742.52313	59055.87775	48405.67587	60332.63196	78882.26411	93255.32358	52997.90525	63127.15268	73142.51313	57692.01983	49756.10734	51667.2131	44618.0918	48575.01577	51503.04743	66336.89384
0.86_345.9453m/z	345.9452517	0.85685	neg													3700.846025	3291.463464	3800.736423	3197.550037	3584.462934	2902.191516	3123.832252	3107.012312	2029.382334	3130.494969	4162.275812	3600.647477	3576.958176	3689.923745	3897.287429	4051.176936	3766.567458	3374.59874	3461.456765
0.86_348.0303n	329.0124764	0.85685	neg													7907.97267	8179.98511	8616.03973	9747.85515	8258.41302	9374.091083	7819.002954	7147.319639	9518.120933	8967.81861	7332.317679	6683.212933	9506.242189	10043.85678	8496.738833	6713.513502	9604.823989	7191.221235	13526.2904
0.86_363.1047m/z	363.1047239	0.85685	neg													21740.26728	17556.30811	22117.1884	20912.49202	17822.72693	10894.26808	12698.44389	39727.86466	41012.91704	13726.91805	15741.12552	26958.99065	21884.97597	15963.19685	8391.646401	7325.015663	11542.1732	12698.53594	24192.8959
0.86_364.0234m/z	364.0233878	0.85685	neg													1049.416449	777.9589802	1422.012932	818.8516925	1433.791619	787.7044128	810.6488405	824.5891363	878.8761055	1433.068188	1376.165111	594.3002225	899.2853395	227.5099278	1193.557731	1022.062505	1137.71229	857.7098534	1298.352733
0.86_370.9753m/z	370.9753316	0.85685	neg													8154.134956	7352.387157	7337.81787	7682.043388	9218.49078	6524.129046	8604.757917	7996.788327	8004.268034	7107.480198	7806.028583	6361.707051	8865.794705	8992.477486	6724.485865	7364.620215	7470.473959	6508.452454	8554.871461
0.86_379.1005m/z	379.1005346	0.85685	neg													6548.420506	5849.907336	6917.782385	9318.59147	7027.712185	5083.064808	6819.780168	7713.799141	11656.47797	5639.548583	6319.795525	7084.410847	4732.053987	4265.447295	4616.339148	4878.949961	5412.221421	5984.002499	7993.376858
0.86_384.0077m/z	384.0077359	0.85685	neg													935.5164122	1106.543762	681.8580998	284.0292798	1032.466016	984.2122573	524.8190926	1060.035676	567.455562	1078.294467	1311.412089	955.7288627	441.933019	1199.217792	1393.898619	1033.609263	1560.852566	1412.73345	563.4556178
0.86_390.1156m/z	390.115639	0.85685	neg													7260.346526	5751.652194	5413.287546	5817.129447	6288.50353	4639.282803	5287.358334	5939.969762	5322.802511	6998.330221	4855.673219	6166.186954	5587.26237	4997.451196	3901.222992	3240.989214	4186.526514	3678.270569	7217.683646
0.87_111.0531m/z	111.0531392	0.870166667	pos													2981.498127	2649.984685	2638.302647	2202.693054	2506.268945	2726.904835	2694.969787	2840.260453	3026.716382	2295.209251	3167.475636	3042.117905	2350.885324	2608.856315	2728.712625	2516.716308	2496.028162	2822.787221	2585.11893
0.87_125.9863m/z	125.9862841	0.870166667	pos													8523.458002	8040.34259	9668.040833	10120.37506	9438.700024	8478.337093	9462.133935	8716.537503	8190.829017	8741.263822	9344.635498	8259.060649	9304.069712	9714.262055	9774.763235	9831.203728	8932.821471	9962.401832	8437.338236
0.87_137.0135m/z	137.0135158	0.870166667	pos													1364.615098	1915.707203	1208.334962	1064.082417	1213.981342	1770.478578	1752.642876	1385.312712	1710.809891	1505.086613	1298.578131	705.0009065	2029.997612	1383.817567	1620.824304	1606.935834	1591.90972	1444.888612	1649.739065
0.87_138.9953m/z	138.9952628	0.870166667	pos													4380.312847	4030.735778	3663.247659	4004.490064	3773.771517	3871.899427	4672.762597	4041.779333	4348.272437	3928.979101	4155.021634	4531.001335	4352.688259	4367.201964	4422.509358	5616.719244	3868.320819	4904.129382	3740.068424
0.87_154.0439m/z	154.0439388	0.870166667	pos													8515.30398	8924.370114	7958.867012	8524.348187	7852.666846	8120.09972	6447.676726	8256.539685	6344.310143	8244.201014	5543.919761	11957.73786	8125.16175	7635.78427	9230.245312	8200.430247	8132.727013	9321.823554	10576.42945
0.87_182.1032m/z	182.1032054	0.870166667	pos													23376.28621	22399.91486	21843.07342	22666.10262	20663.51992	19498.06975	22895.49739	26394.61923	27850.61116	23434.22718	23058.15806	25290.36357	20602.39223	21667.24415	22121.32574	24546.4946	24042.21723	23092.61079	20139.66147
0.87_186.0084m/z	186.0083833	0.870166667	pos													13165.4684	13651.60968	14298.36858	14442.57113	13276.51387	12713.16492	12463.13722	13098.30532	11713.92828	13673.95238	14368.97435	11621.5212	13363.76689	11261.19449	13566.63471	14191.39771	14037.61631	15131.05141	11646.64981
0.87_189.9802n	172.976921	0.870166667	pos													121965.6899	123203.9887	127291.9685	126786.2055	118188.4581	115032.2826	116959.6308	129257.0763	110766.0534	122598.6687	125782.1647	145894.1813	113064.1201	117208.9992	132885.4986	142852.9768	119636.9196	149877.1467	112902.3981
0.87_191.0280m/z	191.0279644	0.870166667	pos													4546.483473	3319.122369	3701.198971	4544.072892	3068.222695	3303.070847	3987.276867	4723.881098	4970.709971	3549.954759	3854.319471	3978.914331	1922.892448	3102.946452	3092.097688	3645.056722	3251.635105	3736.69553	3465.991204
0.87_193.9774n	216.9666439	0.870166667	pos													28462.29009	32217.3372	30137.48074	30591.28262	27932.31189	28700.52296	24808.36502	33137.03736	31294.34104	26987.16822	28163.91466	35376.98633	27694.05657	25434.24625	28341.57953	31924.26983	28107.7791	30813.64211	26564.76834
0.87_214.0033m/z	214.0033439	0.870166667	pos													22580.37575	26362.88863	24352.95037	26220.99522	26250.96393	22942.91911	21965.11844	24484.04161	21809.81296	24742.16587	24796.95793	23919.01615	25275.52474	22191.56626	24979.82661	26696.06672	25584.50089	27696.16845	21819.92932
0.87_240.9778m/z	240.9777702	0.870166667	pos													7627.65704	6544.830336	7813.181018	8020.136426	5812.42076	6626.387427	6940.020244	15361.1004	11310.23323	7040.408682	4584.872048	8577.019241	6214.047127	5094.45232	5556.492763	6552.158463	5613.061359	6328.055906	4473.546972
0.87_300.9876m/z	300.9876146	0.870166667	pos													16224.13786	16651.08602	15894.34805	24676.70708	18785.70602	19205.83543	10357.3216	12147.12691	8435.961573	10809.92347	10292.65453	10409.2073	13520.44169	9261.857403	15467.41708	12041.8192	16947.31873	19881.49095	23345.92809
0.87_310.9960m/z	310.9959864	0.870166667	pos													15493.51996	19553.83116	18754.31428	26002.75151	21737.96159	19798.59953	18442.34518	10968.99519	13481.02363	15672.78038	18128.29427	9123.499763	24592.1504	17065.12359	21085.37974	16202.92357	22198.56392	15604.11444	22010.53673
0.87_340.0226m/z	340.0226427	0.870166667	pos													15007.87389	13356.11797	13972.67127	13435.68715	13779.12665	12669.70751	15694.98545	15545.11762	21886.22165	11366.87489	14952.6993	16069.92329	11781.37728	12209.56984	12719.57015	10788.89261	10843.65581	13049.14519	15066.86153
0.88_108.0188m/z	108.0187777	0.877566667	neg													332.2559476	278.6959071	325.6866872	260.5364761	295.5880767	369.2272903	189.0016268	236.5339326	193.3658794	255.1808202	171.2969676	464.9171618	240.005493	220.1251466	334.3725977	252.1476569	350.3864592	186.2718208	432.8006074
0.88_110.0233m/z	110.0232649	0.877566667	neg													467.4010511	480.0781323	533.6823204	512.9218911	401.3859996	479.2255544	444.7746727	555.2499564	643.4425781	416.6742979	425.7593525	497.4423814	461.1833699	427.5981947	468.4056785	434.8945792	391.8925077	447.8957727	449.4896791
0.88_148.0323m/z	148.0323372	0.877566667	neg													641.6031665	560.7005723	547.1356506	249.3944962	48.10004126	525.3186173	684.6940853	551.773875	1238.829333	629.758165	536.2484669	524.3927872	829.2034494	569.8929457	331.66652	50.46260049	459.1031313	0.000297236	505.2000446
0.88_153.9803m/z	153.980282	0.877566667	neg													326.5629252	468.9994453	547.5749565	556.0951547	119.027066	475.2907522	201.9369244	299.7851496	2045.246654	497.1068173	374.8610368	372.8693922	300.5652612	272.0309401	443.4078831	470.3692687	380.0228138	518.892147	365.6502562
0.88_164.9558m/z	164.9558458	0.877566667	neg													51208.50122	53742.50041	53698.76083	57981.00863	51987.91491	49837.93293	52831.3758	55262.66667	51946.87821	51750.05859	61228.72187	50257.44601	51415.47849	52672.62976	54073.23956	59666.15252	52360.60587	62728.4805	46081.12302
0.88_168.9623m/z	168.9623181	0.877566667	neg													2624.6417	2549.958513	2375.979002	5146.604603	1648.650667	1222.718233	3272.152806	3188.27415	78.5016965	1235.627321	2766.293177	1919.692088	2072.344362	1632.196387	2880.89175	2924.932869	3173.965695	3075.418546	3065.669684
0.88_168.9774m/z	168.9774213	0.877566667	neg													396.4318734	536.3515011	642.0065938	564.2044291	351.9877992	643.9584488	652.0136772	562.4486809	405.5192042	491.7552201	635.824631	584.2693283	640.4084086	626.4416055	867.7520074	749.9398044	576.1505434	639.1477329	299.2269624
0.88_195.9966m/z	195.9965596	0.877566667	neg													674.0546222	853.1918681	840.6128934	544.8326965	495.683374	7226.425689	1158.002187	740.5827334	352.6553015	454.4435027	6209.447618	398.5385378	761.049394	557.3532827	810.1323455	1162.456932	659.8245067	923.5436015	282.5257218
0.88_236.9993m/z	236.9993364	0.877566667	neg													453.2293178	539.0631397	498.6638031	239.0641897	195.5974913	645.0608993	512.9336834	760.2224275	1061.106437	859.8959225	577.3846195	422.5147452	882.9089865	621.3776068	433.7383393	228.8981241	206.4027819	29.70773469	533.3945144
0.88_237.8972m/z	237.8971915	0.877566667	neg													4699.259134	4854.025422	5071.552566	4976.635269	5060.482997	3944.8122	5780.058113	6323.173893	4262.93306	4399.101358	5884.791306	5284.080689	5297.679222	5105.882945	6084.558363	5548.390756	5540.36669	4559.40544	4113.920462
0.88_239.8762m/z	239.8761693	0.877566667	neg													1028.393135	989.4032512	998.1978226	869.0391502	686.1163679	1095.202841	956.874908	1015.356504	735.9455465	857.3576885	950.2102908	1250.02031	933.9492796	858.5104516	762.9970226	1111.315357	1064.602301	977.574569	990.8083662
0.88_240.0219m/z	240.0219404	0.877566667	neg													1022.318962	919.0946678	683.7943492	670.6676055	819.3421083	986.0930214	837.0967574	500.9496922	451.7431024	857.6128836	1053.244511	715.9784329	952.0512453	904.4475718	1006.611078	994.9462556	747.7652247	698.7202439	1291.817214
0.88_240.9962m/z	240.9962025	0.877566667	neg													11845.44272	12351.97759	12119.15409	13577.86097	14905.52827	11337.20756	15969.52109	8054.594314	9161.617351	11488.59113	14779.34514	8372.252451	15441.91773	14739.69455	13805.33158	13939.0316	15060.88446	11334.88729	12949.19046
0.88_242.8996m/z	242.8996486	0.877566667	neg													2149.34916	1862.071905	2227.78615	1985.819784	1724.156826	2047.623015	2094.348858	2058.374241	1756.611053	2046.642145	2281.560567	1905.520454	2100.754574	2623.292614	2211.794124	2746.854945	2545.545369	2013.902896	1494.69829
0.88_246.9946m/z	246.9946374	0.877566667	neg													733.1211479	796.1479511	867.0912854	589.0074777	705.0701511	1091.567316	754.1283176	685.0607182	660.5869577	511.3637527	808.6725358	891.992769	892.8129644	836.2079243	858.8603906	1217.443914	884.1579422	697.3571485	580.9621051
0.88_248.0538m/z	248.0537624	0.877566667	neg													28661.3509	28466.63058	27497.68867	30630.70055	29772.1853	26186.94277	27449.8808	26999.67581	24270.87069	30587.73933	34343.13894	23807.62899	28438.13502	25703.22155	26523.66017	26876.59247	25490.08938	31862.59136	33331.32719
0.88_248.9245m/z	248.9244854	0.877566667	neg													3633.628905	3518.424522	3395.674933	3006.367629	3570.992956	2554.753315	4294.927896	3080.824403	3872.28314	4754.587527	4952.645505	3508.516955	4267.917057	4853.129887	3994.882696	4282.874811	3496.63422	3373.164964	3407.582742
0.88_255.9334n	254.9261212	0.877566667	neg													5119.728632	7175.414878	6512.752349	6350.546757	6388.747832	7386.191829	6695.787314	6467.353977	6734.619289	6863.170201	7614.393871	5894.154719	6081.59405	5956.591513	7036.343651	8434.083764	6705.317378	7805.948349	5098.767032
0.88_266.9887m/z	266.9886735	0.877566667	neg													1446.585488	1664.206037	1609.705734	1376.745147	678.6604837	1584.176138	1414.542391	1433.259751	2361.975637	1961.688904	1428.240994	941.6970738	2159.890767	1831.688547	1209.831832	943.460436	1425.623265	835.6565297	1761.437497
0.88_270.9758m/z	270.9757579	0.877566667	neg													3590.742533	3182.421089	4020.411861	2994.94219	3504.086515	2713.134778	3191.483011	3699.271641	2483.06377	2969.785817	2801.765633	4725.885278	3304.137435	2895.858866	4135.041274	2635.773135	3762.707198	2577.036483	3441.738648
0.88_280.9617m/z	280.9616732	0.877566667	neg													1807.439001	1675.660565	1834.340088	1603.75527	1505.743514	1612.829418	2070.882506	1715.694014	2038.325249	1538.072509	1783.808243	1799.687495	1902.693809	2326.153573	2131.174746	1979.966214	2016.170449	1850.380156	1271.01746
0.88_284.9154m/z	284.915381	0.877566667	neg													4133.648056	3997.552383	4381.946447	5022.836237	4730.072604	4706.876467	4450.352543	4345.578726	2912.226158	3829.189583	4574.553417	3969.63256	4946.612543	4947.47778	4966.28079	5586.055315	5380.871612	3910.583969	3654.288207
0.88_290.9714m/z	290.9713631	0.877566667	neg													3001.708589	4224.936289	3887.248657	3386.040588	2756.439406	4537.713753	3869.635403	3250.422215	4028.233559	5814.394038	4428.256894	3396.925631	2659.59402	3362.816179	3674.482584	3883.008169	4788.060402	3393.529623	3409.440002
0.88_296.9565m/z	296.9564885	0.877566667	neg													2607.309193	3221.582135	3486.442209	3603.360655	3971.354397	3384.851145	3034.046044	2860.636629	2921.388653	2419.875149	2885.66356	3601.31676	3178.072457	2513.530189	3939.757587	3194.517524	4272.702417	3979.054315	2999.555623
0.88_300.0253m/z	300.0253064	0.877566667	neg													16573.09686	14881.38557	14336.68816	16075.53062	16041.07694	14340.41281	14631.82991	12346.82202	11039.58521	14359.29585	16329.98008	12476.00734	15579.29867	13936.62383	13569.43747	13095.91614	12632.41533	15143.08823	21007.72155
0.88_301.0232n	300.0160208	0.877566667	neg													4855.953653	4744.448802	3948.521974	5061.708296	4364.150913	3897.340298	4409.038113	7186.466427	8094.072172	4149.099452	4805.287719	5534.302322	3928.747279	2588.423216	4419.279892	3236.814588	4614.528746	3832.470206	6367.867949
0.88_305.8846m/z	305.8846013	0.877566667	neg													587.1109256	638.0109134	978.1465801	485.4462933	605.0191221	991.4151538	1048.116388	1055.763119	535.9052249	793.135656	479.7022642	796.766306	625.5735243	981.1535621	414.2890776	720.2612945	828.1522078	315.1440664	561.0801261
0.88_308.9839m/z	308.9839306	0.877566667	neg													4458.438764	4373.853115	4078.002518	4231.245335	4817.809778	4448.627006	5517.239353	3437.000791	3352.370499	4490.733195	5656.702106	3768.897205	5698.730395	5226.934964	5806.981539	5810.644359	5226.932238	3992.154703	4050.196803
0.88_317.9314m/z	317.9313653	0.877566667	neg													16406.37604	12431.94893	14651.09559	18011.8106	18429.93239	15340.91975	17925.39247	10508.4842	8799.762054	12572.63937	14302.12303	11288.81783	17350.87946	17631.47282	15610.96326	15086.38814	15253.03594	15850.96656	16753.78182
0.88_324.0756m/z	324.0756055	0.877566667	neg													2781.885139	3722.831824	3473.171198	3778.312235	2904.032342	9679.055984	1424.114879	6141.836269	7823.854253	4898.847809	2785.359751	2713.345964	2766.272829	1298.435017	969.4036139	2152.78107	1227.923161	1527.554556	1336.208881
0.88_324.9380m/z	324.9379684	0.877566667	neg													1093.233583	801.9784538	1036.969479	900.6085122	740.1026681	1697.414768	1020.943967	1232.485336	1094.353568	1009.018138	1109.042062	1346.118239	1718.082764	1371.143106	1191.253018	1527.455222	1062.587667	1235.866217	1117.777338
0.88_331.0726m/z	331.0726419	0.877566667	neg													3334.871358	2865.398584	2772.673528	2156.154198	2562.512268	9555.138032	4399.858455	2460.471235	753.0950859	1367.558984	11344.93089	1197.904521	1542.890597	89.03888795	1497.144719	680.8147889	816.5068754	839.70911	2051.764152
0.88_335.0742m/z	335.0742275	0.877566667	neg													2029.622876	1864.868291	2091.323023	1900.48044	1392.685034	1618.894651	1015.554948	1129.450977	2205.189032	2072.971406	1698.34933	1892.48581	1844.796304	1586.540209	1394.888268	1593.255016	1866.453091	1234.302824	3418.640562
0.88_348.9485m/z	348.9485164	0.877566667	neg													2595.853875	3030.811921	3282.068522	2423.130135	2154.351548	2893.14098	2634.345218	2739.926921	3311.927976	2749.255946	3170.623001	3176.523437	3603.793525	3094.919217	2746.525976	3712.929964	2852.92729	2339.540526	1941.109103
0.88_357.0551m/z	357.0550527	0.877566667	neg													15288.80488	15536.64815	17205.25685	17224.56013	15957.32491	14654.29598	14669.73786	19791.1925	22628.58968	16145.35248	17721.83887	16938.92426	15558.69414	14272.06628	14176.59853	13475.08705	12595.80016	15644.74509	18029.14923
0.88_360.1410m/z	360.1409973	0.877566667	neg													3856.829232	4391.738439	3957.166025	4475.75776	3911.264154	3099.626009	3407.206473	2649.282274	3390.343084	3274.486108	3828.381267	3197.662136	3379.661454	2907.238935	3405.933719	3368.733302	3129.853356	4074.733208	5430.36034
0.88_368.0131m/z	368.013073	0.877566667	neg													2745.891441	3398.739033	3926.67644	4026.773735	3936.281469	3749.888327	3475.130161	3545.605005	2064.084369	2441.3398	4221.734747	1838.229754	4111.114616	3972.706194	2431.343989	3454.815549	3682.237694	3572.139374	3597.090597
0.88_376.9711m/z	376.9711306	0.877566667	neg													1396.368976	1520.412153	1385.26831	1459.283074	1382.263409	1534.863167	1635.971451	743.8741243	418.7314342	811.0510609	2375.72902	893.8163373	2528.170245	2732.175424	1745.17331	2132.10584	1827.177938	1932.952036	599.3148944
0.88_379.0373m/z	379.037301	0.877566667	neg													7255.304038	8336.141455	7935.281413	7516.578344	7239.09263	6924.542516	8105.420768	9795.317292	12849.52069	5982.925438	8306.839821	9106.374089	6095.796501	6748.845321	6842.573344	6050.018167	6311.006088	5612.699821	5325.02141
0.88_385.9193m/z	385.9192629	0.877566667	neg													1093.860207	1298.46502	1774.063379	2174.387819	1822.172875	2191.540014	1183.877446	1132.999647	522.821822	900.2495225	1073.154691	1443.565553	1169.117013	1111.299636	1464.61758	2090.148976	2048.306655	1423.613055	2708.396947
0.88_388.9913m/z	388.9912922	0.877566667	neg													2145.702256	1616.245668	1542.48453	2264.057125	1878.56045	2145.563628	2271.790797	4116.001154	4073.889836	3394.117467	3181.151168	1404.09039	2617.274689	1553.222872	2407.830537	1699.124086	1933.882941	4285.82729	2341.207515
0.88_417.0785m/z	417.0785013	0.877566667	neg													2297.953917	1906.7279	2231.703874	2760.609099	2338.429312	1084.2882	3542.407553	1177.598462	2866.428363	1703.017723	2359.826264	1614.920721	2768.654418	2948.740574	1565.209714	1428.695695	1945.81233	1098.49727	2786.759997
0.88_424.1364m/z	424.1363823	0.877566667	neg													9056.649589	7989.582421	9028.831299	10690.32299	9700.487982	6641.720546	6874.607929	7791.839153	10047.13201	8186.150988	8952.397113	8129.01539	7402.264365	6121.10998	5390.559504	5004.969459	5298.941228	7005.420237	13347.85616
0.89_126.9719m/z	126.9719138	0.89155	pos													2921.086435	2685.096778	3125.328603	2884.39343	2771.788048	2512.979232	2899.35188	2918.089268	2652.070486	2714.243466	3006.14286	3317.299289	2743.316499	2545.587955	3283.077318	3154.200894	3070.634715	3489.348348	2369.479924
0.89_145.9541n	128.9508285	0.89155	pos													154684.8774	161934.2501	157609.8558	159381.3782	149303.5223	144587.939	142711.4122	153367.3429	149527.6232	156725.7581	159858.561	172143.442	148580.1524	152831.9103	169839.7886	165641.2543	153621.1407	170803.2789	145840.6685
0.89_161.9695m/z	161.9694824	0.89155	pos													4275.464314	4245.7162	3885.733715	4566.366611	3726.88213	4124.117948	4140.780977	4613.735849	3527.220298	3838.030573	4511.7051	4804.264367	4716.88907	4611.917553	4366.090617	4726.384593	3479.068439	4759.145599	3575.766318
0.89_168.0133m/z	168.0133138	0.89155	pos													6347.201958	5679.557498	6619.015768	7036.990032	7096.534062	6460.852839	6801.910027	6419.452287	7053.413369	6475.181349	7426.720462	5354.525212	6726.380191	5854.322019	6769.029393	6889.228544	6571.879704	6788.966044	6156.528194
0.89_224.9482m/z	224.9481644	0.89155	pos													9790.279019	11253.05646	10469.17868	12098.68199	10493.1606	10330.25657	9851.365007	10001.42703	9799.563784	9624.693495	10055.82402	9842.58799	11974.73418	9119.109412	10622.61457	11835.17721	11010.71497	11322.7542	9046.174475
0.89_235.9599m/z	235.9598987	0.89155	pos													2612.282499	3844.444018	3442.858963	3863.777537	3451.766949	2588.466646	2894.754854	3145.928001	2210.24901	4270.53183	2780.231933	2780.208492	3969.416888	4070.535213	3882.338375	4255.234645	4043.158051	3921.571108	3182.205892
0.89_243.9776m/z	243.9776054	0.89155	pos													8766.219187	10971.49303	9983.788315	10721.2858	9494.706312	8566.593218	8389.894275	11001.28078	11615.80418	9513.284468	9449.601705	11756.92378	11130.85344	9623.179092	8806.131026	12285.4971	9731.458225	11520.24508	9599.954512
0.89_243.9900m/z	243.9899648	0.89155	pos													3162.097634	2614.096971	3589.991194	2372.715203	1131.2047	2687.317388	4281.405684	3592.923813	5191.74098	4033.782157	2917.054784	2121.269642	4693.494218	4419.282199	2665.800896	2162.586423	2692.312279	1855.11586	3532.790243
0.89_282.0056m/z	282.0055752	0.89155	pos													7355.201386	7574.541666	7114.97262	6922.552855	8195.409517	5801.431648	7368.615743	5066.455675	5201.355042	7482.423632	6281.820153	4309.995861	6841.307116	4066.158802	7434.675312	5998.93638	6237.736529	6469.028894	6002.352093
0.89_309.9879m/z	309.9878854	0.89155	pos													19196.39577	19647.91158	21645.23404	30639.07232	23903.92007	23506.30167	15075.79539	13913.82219	13757.33212	14004.54283	14038.2851	12098.63619	18665.70996	11637.42056	20790.75856	15470.06286	23095.82341	22270.67426	24368.83182
0.90_170.9835m/z	170.9835208	0.898616667	neg													397.1351008	467.1700398	384.1785126	275.7565737	241.3309219	1696.667045	666.1956533	323.419074	78.21196573	217.2472944	1765.035089	169.2632944	228.655837	128.0498381	297.8294771	195.3983179	52.66358535	276.8229181	172.773559
0.90_171.9799m/z	171.979915	0.898616667	neg													1839.898534	2265.214218	1927.108255	1346.246965	1258.888676	8023.778391	3183.4494	1432.096207	396.8902518	949.711546	7723.337186	851.4586881	1512.991854	493.8402612	1452.307594	1147.762164	585.2226309	1179.530006	884.9155758
0.90_184.0580m/z	184.0579864	0.898616667	neg													8081.254159	9589.084196	10131.7253	9662.106374	8862.874823	8635.897679	9822.984175	6763.249571	6354.140104	8909.853154	9292.298154	8336.076967	8701.471189	9239.568897	9764.826975	11687.48475	10540.79834	9962.372206	9102.827378
0.90_196.0218m/z	196.0218272	0.898616667	neg													25017.30511	27441.44834	25298.44918	26020.59311	28068.3986	32365.92887	19947.08473	23671.17662	26284.54716	29224.96332	24979.01458	33425.61408	24142.9392	25235.23901	22994.4812	23970.24429	23042.49138	24945.20952	22973.59886
0.90_218.9228m/z	218.9227837	0.898616667	neg													489.3518908	501.0280468	311.4817905	292.6626303	378.5294213	758.7402721	315.6938221	389.2287611	307.1244704	457.5761077	545.7044497	588.8941464	339.231301	180.850814	386.9636242	440.963398	479.689808	249.5598282	86.95449975
0.90_241.8918m/z	241.8917628	0.898616667	neg													1478.971669	1693.803053	1445.160316	1342.149997	1110.357066	1535.858173	1318.732734	1390.773262	1062.51879	1304.607916	1604.866614	1314.754051	1544.222513	1340.399109	1237.652552	1604.679559	1324.47765	1893.652075	1165.156598
0.90_252.0466m/z	252.0465811	0.898616667	neg													1678.393741	2660.738224	2683.619283	2337.712467	2828.283874	2406.768782	2872.284727	1564.249145	1382.094232	2612.864536	2513.68739	1494.414162	2418.093224	2547.369268	2835.82499	2938.096676	3069.822185	3256.938316	2175.984028
0.90_264.0102m/z	264.0101821	0.898616667	neg													6028.002661	6371.442567	5947.023743	5375.939485	6136.323792	7197.582336	4851.051344	5025.676646	5346.524287	5889.081121	5924.309256	7765.57065	5314.612635	5341.441096	4842.618527	5628.820159	5405.980027	5466.910183	4776.995465
0.90_264.8815m/z	264.8815413	0.898616667	neg													2345.153545	2207.717832	2285.702316	1623.448063	1939.212066	2394.280803	2029.326185	2214.93181	2291.841125	1593.430879	2331.974844	1569.412098	2072.448966	2444.413274	2088.266467	3011.112339	2604.759251	2570.182036	1663.737557
0.90_265.0442m/z	265.0441568	0.898616667	neg													1691.679393	2060.59771	2239.220953	2111.630606	2337.56032	1826.055074	1930.22429	1541.7403	1335.222226	2119.221277	1867.308441	1080.053939	1961.860879	1767.538228	1927.417427	1932.895258	1767.558265	1816.38967	2248.339176
0.90_299.0683m/z	299.0683395	0.898616667	neg													2235.150933	2337.019382	2105.339325	2287.10002	2687.317243	2628.373378	1574.081627	1417.837218	1311.295802	2037.660274	1781.526465	2903.745149	2069.982062	2128.866797	2191.705702	1403.791184	2007.995966	1901.133086	2216.477944
0.90_308.8640m/z	308.8639817	0.898616667	neg													432.754873	586.7854235	516.8597964	311.5969808	646.4789245	695.811826	576.6041518	369.4270091	350.7138653	187.8094903	269.442893	548.486082	380.6935991	445.2105249	623.2489049	591.147061	756.5171074	391.3931104	242.753971
0.90_315.9815m/z	315.9814766	0.898616667	neg													3785.407908	3907.148054	3547.19721	3660.786093	3926.484307	4643.817444	3124.546183	3863.125505	2710.6759	3650.440453	3345.315447	5195.063249	3876.357172	3034.854332	2976.596256	3687.501913	3420.061362	3286.677735	2470.383721
0.90_320.0623m/z	320.0623026	0.898616667	neg													48656.37073	40560.71347	45553.20594	39895.15826	55508.43405	35654.76694	43424.56821	50026.62633	57817.6737	46512.47915	40661.65357	58192.46472	51746.42215	50390.33925	40641.24202	39880.0176	40912.47673	27206.59406	49485.76632
0.90_325.9969m/z	325.9969484	0.898616667	neg													4294.048129	3684.25766	3583.0784	3605.319617	4126.672495	3353.043245	3792.490555	2965.97724	2695.80647	3622.084052	3998.249829	3300.811102	3715.744321	4029.714528	2779.64952	3296.798832	3032.758639	3774.244382	3788.840278
0.90_331.9977m/z	331.9977308	0.898616667	neg													2288.562383	2402.003316	2301.49548	2317.48082	2574.950939	2850.697407	1701.979835	1873.513495	2035.93562	2827.710001	2357.636412	2815.948491	1895.177262	1997.298676	1964.768581	1953.337654	1820.930763	2395.560433	1758.49741
0.90_342.9871m/z	342.9870726	0.898616667	neg													2847.869962	3030.691951	2568.834474	2286.399771	2458.246554	1978.165511	3011.486118	3104.502262	4272.165399	2196.454347	2649.806669	3080.335965	2288.616599	2478.394484	1777.699667	2036.626747	1770.623574	2119.165678	1967.25919
0.90_364.9435m/z	364.9435095	0.898616667	neg													638.1037588	853.2127427	739.9804854	709.1592444	1152.543067	644.4048472	404.4932959	535.7501953	216.8468828	638.6065725	541.357105	887.9714457	1407.841968	837.6943209	957.9709243	1227.199539	1581.150912	873.684266	193.609885
0.90_397.0712m/z	397.0712129	0.898616667	neg													1345.384837	1551.687586	1504.550646	1789.859246	1407.957209	2105.817152	988.0216643	1210.629295	800.6648217	1307.043975	1109.553426	462.1138296	1877.769445	1429.566918	1579.570792	1496.300562	1450.134912	1662.921239	2001.808034
0.90_399.0785m/z	399.0785457	0.898616667	neg													1572.223537	1567.341626	1688.419479	2128.424492	2063.530092	2555.439375	1398.897903	997.1952879	662.9853487	1612.074414	1438.660745	1487.547121	1721.121434	1461.32931	1054.680689	1129.410794	1426.0179	1509.129435	1574.587097
0.90_403.9979m/z	403.9979117	0.898616667	neg													710.388649	499.3011229	557.5595779	408.0211943	650.8205227	888.32306	0.000297236	447.5209346	715.1762775	575.2199621	504.9635984	945.0286151	413.3076426	331.2805849	245.3758755	197.8140556	319.5424529	889.0356642	566.9712552
0.91_127.9669m/z	127.9669233	0.911233333	pos													702.7417058	461.5167509	576.6387323	655.1106646	454.464762	614.9583711	633.0172407	582.9643477	535.7975195	590.6341798	423.9648546	617.5808773	649.8336278	579.8681013	537.030645	588.7999318	545.0648817	513.0612058	550.3614325
0.91_133.5148m/z	133.5147801	0.911233333	pos													9672.524073	8814.533485	9609.475533	9736.479486	9536.70929	11434.04144	7652.675984	8902.232205	9221.820565	11963.50614	9192.390313	14339.43649	10587.58329	10265.56676	10240.71191	9773.076644	9260.182904	9563.204537	10027.31061
0.91_154.0279m/z	154.0279397	0.911233333	pos													6696.842243	7615.090587	7593.064955	7446.023819	7857.278873	9282.523004	5751.990629	6652.007483	7318.752835	9324.649475	6525.291741	6958.550811	8686.701832	7047.551908	8225.495762	7997.082939	7860.96628	7711.45851	7642.510193
0.91_177.5226m/z	177.5226224	0.911233333	pos													1007.694555	1050.420987	1113.228184	1003.744418	1460.59404	925.8958571	1901.231621	606.9801637	1134.785584	1437.073504	1507.058238	1142.251042	2401.190953	2204.47506	1915.701697	1775.167391	1069.4317	680.2367036	1133.210805
0.91_224.9956m/z	224.9955681	0.911233333	pos													11256.35353	13424.61601	12568.61986	13315.78927	12730.65686	14013.88652	10555.92309	11316.00636	13745.09348	14271.82689	11313.20302	14325.50254	14637.7048	11174.20568	11921.79944	11410.6022	12939.03357	11076.35187	11799.37199
0.91_241.9980m/z	241.9979993	0.911233333	pos													1218.733001	1763.664482	1927.705822	1529.693982	1960.242685	2196.538473	1367.820376	1286.403619	725.6212972	1550.453394	1779.653901	2152.646379	1899.648957	1511.630923	2254.145257	2229.572814	2447.014862	2510.22348	1155.295894
0.91_246.9773m/z	246.9772528	0.911233333	pos													3929.96877	3069.385465	3940.614697	3635.52914	3598.010312	4290.102265	3355.593746	4083.357076	3362.127469	4304.325588	3549.882585	6004.629803	3900.991629	3237.838981	4025.649283	3742.411453	3426.992257	4396.900575	3407.745401
0.91_260.9928m/z	260.9927698	0.911233333	pos													3467.743076	2637.313677	2808.961321	2338.363858	2415.923362	3089.521768	1867.437263	3383.260764	4013.636324	3769.563464	3139.346093	4815.842871	2682.99384	2408.524977	2429.537684	2189.630818	2608.102193	2799.195657	1951.205181
0.91_261.4908m/z	261.4908339	0.911233333	pos													4912.751763	3174.801976	3462.337177	5042.536805	4224.039407	3294.413593	3913.058661	5626.041937	4215.531775	2372.121412	4017.071147	3629.25355	2741.006713	2962.53527	3944.935987	3697.034294	3448.440523	5107.436974	3313.548038
0.91_281.9457m/z	281.9457446	0.911233333	pos													6930.663639	6131.006819	7153.313407	5232.721714	6750.749316	7465.51856	6215.840578	5568.80761	5386.791803	7214.120138	6314.923031	8149.424488	8461.451674	7106.142649	7254.711928	5755.522931	6370.641635	6394.0321	7139.047168
0.92_129.0412n	128.0339388	0.919466667	neg													205091.9227	213559.6239	210247.7486	195111.4642	232379.9723	277687.0168	165869.353	181818.3108	211154.6615	259971.0361	176776.8543	277744.9431	210163.6533	199765.2028	198418.3849	185364.2144	198568.1333	185396.7333	216352.931
0.92_185.9929m/z	185.9929041	0.919466667	neg													8069.684675	9619.805032	9516.696522	8964.438338	11203.06534	11478.58565	10551.97461	9148.112606	9821.509187	13382.07089	9251.734923	11952.8643	10516.40478	8904.755904	10318.90435	11083.54671	8058.497741	11429.31872	7218.944235
0.92_187.9900m/z	187.9899786	0.919466667	neg													2104.991625	2546.077629	2151.321899	2042.256408	2523.359009	2681.124004	1799.720922	1788.243222	2071.391279	2653.270872	2005.122108	2599.20771	2172.976481	1949.136985	2163.967223	1861.14661	1918.912441	1940.840602	2131.502088
0.92_218.9379n	263.9368468	0.919466667	neg													858.353685	534.4752337	766.4327871	691.8412375	666.5796803	912.1292889	489.4114133	527.9054153	625.9749986	635.5385666	610.9441609	1050.028462	529.3793929	618.9956673	705.2209769	715.8596176	655.0416212	573.201494	496.3524736
0.92_228.9669n	273.9657009	0.919466667	neg													4386.435392	4640.615939	3901.209447	3920.32814	4355.25775	5240.159747	2618.059834	3310.231376	3936.460391	4607.309184	3890.541976	5058.19195	3751.447773	3500.504848	4158.233446	3397.449608	3786.421734	3774.951785	3893.889799
0.92_240.0123m/z	240.0122522	0.919466667	neg													401.1564285	561.3911443	535.885382	552.8695792	432.3685885	704.2802899	177.1881396	391.3018474	602.8288378	375.0039123	413.7941425	1087.032535	384.0344222	299.3520456	456.1381161	497.2952514	443.9321675	431.4767185	445.069448
0.92_247.9844m/z	247.9843899	0.919466667	neg													6650.884858	6837.635501	6871.873229	6539.509318	7327.454187	6767.278451	5616.36502	6998.914051	7067.514758	6804.582949	6155.25649	9288.58584	6558.945954	6652.338935	6849.980439	5040.796478	6121.308595	4720.381311	5861.301089
0.92_247.9938m/z	247.9938103	0.919466667	neg													26158.91208	28928.15179	26509.07008	24378.06777	27780.36607	33869.06928	20353.55776	24204.78875	25648.1807	32568.89374	22222.96636	33862.20383	27690.4951	23902.69317	26643.01031	29293.06312	24888.5572	26060.1592	25706.23808
0.92_262.0445m/z	262.0445183	0.919466667	neg													340.9403108	382.7663041	208.8193359	269.8798808	270.6784483	573.7521167	301.0663894	231.0460553	182.8022262	340.5276096	133.0309573	517.3837637	182.1374032	215.7034522	376.8551204	283.5553771	276.9111779	328.2862945	349.3502526
0.92_269.9705n	268.9632058	0.919466667	neg													1212.564184	869.2018833	1105.922222	827.3834695	1001.624679	1535.850907	753.0753418	684.3744375	998.1923628	1776.542444	1094.28177	1514.122658	856.1697711	952.1126968	883.5092637	858.6953539	890.4028654	686.0992987	1026.508398
0.92_279.0596m/z	279.0596324	0.919466667	neg													12920.11352	14205.45985	13577.09128	12559.90983	16490.20748	23500.41149	8180.07156	9917.213768	13741.67284	19656.55521	9215.202489	24375.49611	12868.96717	12674.16663	12780.39404	11632.22495	11846.2901	9993.897921	13923.74874
0.92_281.0002m/z	281.0002435	0.919466667	neg													446.2438093	500.5144893	352.7830505	278.5962719	360.2284339	388.4637962	284.6497023	421.0130054	546.0137102	584.5612918	501.1237995	653.4788141	416.9047425	413.1761057	356.550824	369.6607668	220.3412512	241.0080863	416.218471
0.92_284.0387m/z	284.0387218	0.919466667	neg													6489.751511	6468.570831	6343.404444	4876.284997	5645.135701	8673.055977	4210.61136	4827.09155	7441.285201	9571.328343	5452.960806	7781.209347	4738.694564	5282.209043	4940.675068	4133.123427	5165.241847	4643.297024	7908.709673
0.92_305.9524m/z	305.9524362	0.919466667	neg													1160.532532	1263.053668	1435.118557	1044.056109	1449.381503	1788.570628	928.6253963	673.6658663	809.8246424	1310.62687	1069.228686	1704.735439	1309.998613	1407.690766	1124.118247	1241.983469	1433.674157	552.0905983	1496.294282
0.92_306.0282m/z	306.0281632	0.919466667	neg													1620.650747	1725.523624	2096.058649	1509.511918	1587.189034	2268.680306	1442.930824	1332.118898	828.4348218	1602.326172	1529.687289	1442.552635	1648.017947	2244.960481	1493.357835	1331.420411	2273.262358	1398.727279	2908.748297
0.92_399.0188m/z	399.0188048	0.919466667	neg													2903.03516	2598.052697	3040.046072	2346.664051	2738.869459	4448.23888	1125.249061	1654.638653	2349.743672	3599.886209	1241.494117	4945.628605	2590.823601	3014.878251	2616.656549	1594.998712	2308.996724	1786.761962	2297.57921
0.93_185.0660m/z	185.0660139	0.929766667	pos													2138.004901	3002.762029	3069.80246	2342.520132	2278.598155	2546.626536	1934.753889	2034.97549	2066.048662	2161.655466	2684.257899	2557.75667	3416.987583	2755.993174	2469.978467	3110.374362	2612.089675	3422.082981	2481.566494
0.93_257.9932m/z	257.9931998	0.929766667	pos													3525.968059	5025.533267	4868.744366	4791.4451	4249.689432	4941.188149	3565.435199	3359.692115	4133.590945	4990.994465	3474.830941	4633.11007	4653.709851	3422.436324	4312.839173	3749.232763	4181.539187	3975.400279	4010.323183
0.93_260.0957m/z	260.0956816	0.929766667	pos													271.8006388	293.9848603	432.0238687	210.2943194	300.8679283	689.0634699	175.2468284	0.000297236	371.4105369	672.7970355	0.000297236	706.9638359	267.7538578	225.6454584	0.000297236	165.3792663	223.7598315	160.5721555	480.1471894
0.93_260.9724m/z	260.9724112	0.929766667	pos													4768.176292	4664.142889	4652.243797	4457.449491	5082.995189	6042.062604	4199.995693	3227.555948	3827.73274	4964.239204	4083.65252	3929.364093	5801.289048	4775.942499	5190.863857	4214.687863	4118.60734	3891.383232	4617.416327
0.93_348.9890m/z	348.9890337	0.929766667	pos													1643.92557	1602.609055	1622.463418	1313.48889	2135.015591	2365.935757	1743.845649	1012.826199	1619.37221	2101.27404	1063.287584	759.3854407	2337.035778	1361.74345	1475.074714	1220.061549	3101.729085	683.3633093	1746.48623
0.93_363.0244m/z	363.0244088	0.929766667	pos													12760.00668	10714.99692	11995.45983	10022.60691	11940.02985	14380.93005	9451.863962	9228.956409	10590.46534	13300.24868	6831.088857	16839.83787	12379.48098	12274.27179	13324.35351	8804.504362	10941.79901	9515.47915	11278.39164
0.94_124.9997m/z	124.9997144	0.937716667	neg													983.4948521	876.6002956	913.5127364	852.9243135	932.6428898	1100.350453	802.1876012	1026.860178	902.4880774	871.1602163	766.4145119	877.3720464	921.251239	852.7706075	918.9888749	942.52437	845.4214035	811.4092098	1058.778634
0.94_135.0258m/z	135.0258455	0.937716667	neg													4692.7433	4173.644976	4513.213431	4965.887114	4039.475148	4745.541313	4004.050928	4126.053638	4030.532538	4946.432684	4329.447556	4657.395637	5161.063563	4735.627216	4611.728215	4726.114499	4581.063484	3777.441018	5092.707682
0.94_142.9520m/z	142.9520008	0.937716667	neg													576.6483662	571.1447673	455.7458287	474.8016523	311.9849486	478.3566236	557.4842357	619.3015815	366.8320847	489.831585	545.8694934	550.9748109	421.3525075	387.4129189	581.9684715	607.5225188	587.1216235	615.2066816	405.0646866
0.94_155.8729m/z	155.8729292	0.937716667	neg													6063.722456	5874.16186	5545.679173	5255.686547	5529.639942	4058.57248	9610.292808	5094.449308	4787.442008	6261.602419	7835.792361	5307.929987	7435.132056	11535.9602	7226.467441	7591.527462	7085.865849	5209.38014	4934.530763
0.94_157.8708m/z	157.8708476	0.937716667	neg													3298.195039	2724.484457	3262.727314	2668.22722	2570.649548	2358.252396	4665.285231	2296.503349	1843.360852	2640.212534	3101.644278	2901.374527	3938.93583	7101.974332	3466.975965	3966.603304	4308.240693	2212.739188	2925.68528
0.94_159.8683m/z	159.8682892	0.937716667	neg													785.7753011	600.1761195	781.0029964	565.6642034	603.7310663	360.104775	960.7000248	485.7777146	387.603887	562.6032202	798.0357088	605.3094483	949.2925784	1759.892964	779.4450624	833.8361517	841.1523075	564.8019825	597.3206849
0.94_178.8794m/z	178.8794336	0.937716667	neg													1195.666868	1208.403424	1287.467026	893.2205187	917.5386443	516.7868318	2304.623564	918.6112614	577.160942	994.7357708	1190.734585	1162.483005	1770.090355	3457.999507	1776.857976	1737.880929	2168.903424	806.9513012	1179.963724
0.94_180.0586m/z	180.0585729	0.937716667	neg													341.0738194	487.3082129	529.0698471	336.008481	545.1842945	532.8149524	645.6974874	372.6603128	585.2465183	745.9235932	379.0216922	456.5133502	373.7831308	470.6758043	631.8789769	237.3969347	486.3079538	276.5223208	865.9529574
0.94_187.0005m/z	187.0004726	0.937716667	neg													22639.88577	21719.82148	22578.83031	21224.32694	22346.38458	22434.49347	23808.539	21965.04635	22874.88726	25407.09001	21062.26627	20000.43499	22435.06543	21496.86051	23571.43127	19843.49182	22802.57239	23672.77751	25754.3798
0.94_208.9732m/z	208.9731834	0.937716667	neg													22701.57032	21020.21245	23033.19607	20680.1043	20656.91798	16657.22811	24680.79076	27994.67544	24534.55184	19635.1758	22476.72321	19975.28974	22061.12114	21550.30809	24844.52287	18598.62989	23552.69812	20643.33601	21124.45585
0.94_208.9831m/z	208.9830954	0.937716667	neg													102874.0492	94577.86767	103165.1037	95746.91592	97762.58125	90175.11208	110079.7126	90088.61469	90943.302	103615.9045	101600.873	79175.15932	113745.6655	101532.242	103875.5879	105902.3956	104194.4636	105377.5696	106385.4214
0.94_228.9154m/z	228.915392	0.937716667	neg													4893.113679	5650.040403	4550.766544	3944.600082	4636.980003	5371.89365	4477.025725	4764.017779	5490.294719	3760.770184	4144.035545	5107.016269	3872.572458	4955.698058	5430.190135	5160.178051	4596.303621	5246.183532	5097.547652
0.94_228.9417m/z	228.9416858	0.937716667	neg													1516.002856	1557.423586	1384.110258	1414.746583	1413.154179	1379.635403	1525.071155	1208.428776	1262.946498	1310.961047	1133.353744	1193.846666	1427.728918	1294.311593	1376.577414	1251.368465	1345.520789	1291.848111	1294.067711
0.94_229.9519m/z	229.951859	0.937716667	neg													8456.281389	8297.772935	10772.32685	8420.924387	9795.351462	8428.377064	10355.7076	10076.28082	8688.158086	9029.349766	9180.875232	7887.445727	9426.380722	9390.816103	9978.445977	9252.607235	9419.851564	9630.044421	10531.33508
0.94_229.9716m/z	229.9715756	0.937716667	neg													1780.269968	1898.845382	2241.367309	1491.020085	1584.763901	2790.377335	3074.534264	2093.385447	2137.210208	2083.756959	1519.099304	1731.295705	2273.342988	1670.193572	2557.156529	2090.798813	1735.338821	2126.715019	2220.654302
0.94_231.9309m/z	231.9308975	0.937716667	neg													56976.16779	61274.07476	60666.16081	58330.11602	59744.93389	58892.06136	64959.46404	62041.14576	65780.02599	65898.02423	64090.0095	61195.74839	57863.47969	58323.25435	58401.43331	61458.20799	60569.80858	62988.43618	58649.7534
0.94_233.9822n	232.9749359	0.937716667	neg													47487.783	40557.90326	44004.69021	37282.3638	39288.74736	47279.72625	49934.43574	43133.71543	45339.37406	49434.06873	37830.24235	38066.42555	50142.78365	39116.5015	44476.27918	38644.53266	43205.20713	40997.6069	50924.46705
0.94_239.9121m/z	239.9121456	0.937716667	neg													4831.080238	4473.175016	5024.578449	4467.281813	4828.928211	4448.315578	5026.775258	4133.006931	4388.172238	4791.012479	4860.726776	4397.695697	4543.744054	4999.49869	4779.194113	4620.820291	5158.016182	4505.99653	4449.560623
0.94_240.0486m/z	240.0485574	0.937716667	neg													66777.56186	75253.57069	77379.84799	68284.69257	83757.24411	98656.14914	65017.61571	76614.32954	97923.28746	94774.46412	63546.86842	90795.52421	78443.35665	72122.42608	74681.10911	73482.1657	78379.82915	83258.1547	78617.62798
0.94_240.9200m/z	240.9200419	0.937716667	neg													2799.186212	2764.47713	2626.867057	2519.468773	2258.030507	2053.389811	2396.541664	2048.676158	2239.06323	2619.802155	2557.490682	2125.343813	2515.835194	2545.06214	2266.66012	2505.59021	2507.657402	2750.523888	2962.854515
0.94_256.0228m/z	256.0227836	0.937716667	neg													1212.360688	1633.988474	1748.212055	1259.77726	1225.137158	1751.52679	1122.561577	1328.174686	1054.600685	1346.755849	1030.096097	2002.576122	1294.700208	1094.324107	1137.475978	1263.173688	1232.845271	797.3163881	1719.555212
0.94_267.0098m/z	267.009814	0.937716667	neg													4693.68686	4350.828368	5157.423713	3868.156026	4087.117017	5145.944928	4391.068993	4482.728951	5524.58972	6238.490033	5223.686385	4032.402347	3956.038188	4249.047105	4160.311409	4217.074924	4366.236563	4237.030125	5413.5536
0.94_303.0336m/z	303.0335855	0.937716667	neg													1422.026639	1461.470568	1620.378914	627.590473	405.6550291	895.1356561	624.5542847	3497.183881	4472.123485	2245.223135	816.2517328	1304.430872	913.8683246	1453.556293	769.3259844	614.5772151	1476.719932	381.1273805	1174.089992
0.94_307.9629m/z	307.9628745	0.937716667	neg													1316.027627	1538.755719	1782.912241	1490.388336	1751.230935	1146.555637	1232.152721	1829.040603	1670.569182	1973.025224	1690.476125	1631.129845	1487.035519	1583.839313	1283.312201	1794.769304	1333.806458	1654.792323	1335.295184
0.94_308.0364m/z	308.0364314	0.937716667	neg													7531.533862	9204.248611	10526.06131	9167.26272	10816.37672	12138.2807	7620.089768	8976.842924	11898.1078	11721.55276	9797.88551	10634.77728	9536.256904	9665.692341	9250.603045	9932.218802	10082.98647	9203.833489	8841.507942
0.94_314.0848n	295.0669189	0.937716667	neg													10692.86763	15465.97697	13251.03373	8572.935114	14054.68284	9787.293063	12685.17344	6859.386886	6609.765129	11348.61875	11868.15821	7635.145383	12670.06467	10678.66571	10004.49603	9767.10999	10779.89325	6411.769394	12034.75804
0.94_315.9521m/z	315.9521151	0.937716667	neg													9092.486449	10250.13156	9813.519407	9992.16284	11680.33856	11428.62989	10606.50664	8051.3588	5895.739465	7927.564592	8623.473367	5189.626174	9428.458107	6451.259884	8479.512567	9491.256418	11196.19618	11634.31972	13902.81562
0.94_317.0253n	362.0174229	0.937716667	neg													15555.17898	17552.4906	16525.42569	19314.00161	11539.14911	19333.04986	15904.22517	16693.71003	16852.75742	16834.39676	13781.2556	17921.05309	16834.12872	14365.79659	14856.82296	15569.08076	16718.71551	17518.02828	17062.03632
0.94_320.9967m/z	320.9967262	0.937716667	neg													25699.13414	25196.26551	27842.35816	25435.84817	26212.66053	24740.73835	28697.93355	26244.47536	23724.96526	30233.41349	26003.61786	22588.40411	28600.53828	24868.03317	25143.19042	24533.66636	26679.19745	26928.98223	32193.78052
0.94_332.9614m/z	332.9613957	0.937716667	neg													10417.47413	12930.40901	10490.07911	10637.33211	5585.20463	14967.96569	9964.337777	24854.91436	21118.73288	11605.05828	6040.852925	10028.94695	8320.22107	6284.208857	5942.910362	7274.871125	9112.891282	7234.622394	9389.392796
0.94_344.9273m/z	344.9273197	0.937716667	neg													632.9511859	464.3303062	449.0429921	586.0913261	548.3942757	748.752772	733.606567	523.2907468	497.6122694	587.4262899	476.9687311	407.1781433	446.7807193	432.6018351	183.879277	641.0111629	537.9699137	256.1091683	799.2805734
0.94_346.9281m/z	346.9280521	0.937716667	neg													921.1721205	967.1305446	810.8995964	690.5976739	915.5046643	942.9873582	1201.397564	728.1397705	437.2176471	1185.083756	968.5596221	405.3155549	805.277141	656.2458515	931.0172907	787.0308853	875.3565884	580.6669929	1120.59048
0.94_350.0543m/z	350.0542653	0.937716667	neg													1143.541498	1236.968993	1035.84441	1175.850233	842.8430751	977.5361888	1561.266144	546.0659253	0.000297236	972.0725869	1054.081019	884.2893605	1534.424085	1126.800539	929.1871519	1479.675216	1346.065167	434.3315472	1960.035284
0.94_351.8896m/z	351.8896496	0.937716667	neg													2243.921991	2211.218349	2300.62851	2192.876047	1963.48451	1628.765952	2116.471774	2326.235612	2068.492669	1855.516441	2379.192349	2464.818608	1812.386364	1639.188791	2500.993273	2028.358894	1908.237247	2210.9273	2392.064277
0.94_352.0626m/z	352.0625902	0.937716667	neg													18661.28481	21378.2054	21538.63995	18627.05312	21991.92063	27391.67545	20534.98516	18585.11313	24057.92545	27551.9066	16152.86586	22880.27646	21871.16873	20057.53498	20070.71231	19559.2144	19734.04597	20921.3149	21258.4922
0.94_355.9449m/z	355.9448508	0.937716667	neg													1043.216723	1229.652761	714.1577606	82.05267065	77.53869438	129.0269575	0.000297236	3619.410859	4203.789483	2794.048044	0.000297236	1017.110464	310.7358735	692.365075	115.1390204	312.3375797	617.2500081	0.000297236	0.000297236
0.94_360.0078m/z	360.007751	0.937716667	neg													7935.845017	8752.639867	8894.027334	8249.189472	9352.927492	11201.11372	8015.729268	8379.510201	8865.168878	11271.7044	6892.744073	10201.47659	8864.370337	7832.021008	8233.097623	8199.659994	8403.999728	8369.270626	8592.669963
0.94_383.9396m/z	383.939607	0.937716667	neg													1480.931887	1580.466615	1453.402875	2030.622236	1401.720892	1435.957872	1847.767397	957.5828828	736.4174351	663.5800466	1508.762601	729.4278326	1341.350864	1118.842279	1310.401213	1564.356492	1430.827412	2109.648967	1863.614833
0.94_384.0002m/z	384.0002467	0.937716667	neg													2643.237419	2351.624721	2851.365479	1825.164863	2477.111082	3059.190587	2845.058213	1793.247923	2280.446883	3239.542273	1434.428915	3510.406007	3083.437742	2167.938308	2915.824431	2954.440688	2329.120211	1176.418728	3075.274664
0.94_387.0118m/z	387.0117643	0.937716667	neg													283.9515414	514.3241059	420.8559647	187.1450224	442.85652	181.0310725	673.121928	662.2110641	459.1116899	501.0290159	255.4885287	583.9361911	416.1131682	405.2185705	542.300459	531.8439061	764.5977368	781.2719425	469.1138253
0.94_391.0735m/z	391.0734663	0.937716667	neg													2694.877493	3967.250243	3697.80865	3529.674163	3558.383118	5703.055733	1925.485254	3299.041618	4479.355575	5350.592284	2707.176149	6109.306673	4355.889549	3658.69107	3189.201469	3173.572555	3698.250101	2675.032609	3460.200346
0.94_397.0362m/z	397.0361716	0.937716667	neg													1347.314293	1690.807617	1548.725555	1621.609381	1643.100549	1343.073574	1993.110973	813.1167814	764.3456016	984.5051564	1670.738914	746.1419879	2125.269094	2001.154875	1436.364414	1025.004278	1481.806319	866.6154774	1945.69976
0.94_409.9532m/z	409.9532207	0.937716667	neg													1322.139232	1884.999902	1419.409882	1289.733112	1557.093028	1066.778649	1075.821779	1528.625401	1489.508852	1360.23961	1387.888491	1103.507843	1228.507277	956.9728084	1635.025889	1246.452909	713.241549	1628.952443	799.3302243
0.94_412.0395m/z	412.0395277	0.937716667	neg													1997.479858	1887.259919	2791.796355	1740.735038	1855.713706	1896.771754	2229.934512	1838.538832	1531.338441	899.3582612	2086.237104	828.1142961	2843.190194	2340.503862	2652.516759	2777.474443	1926.054454	2996.062658	2465.635158
0.94_420.0502m/z	420.0501556	0.937716667	neg													5592.427149	6023.222981	8138.543841	5762.391212	7905.503601	8768.701574	7305.846595	7816.008395	7947.339241	9626.513803	5766.122266	8631.316756	8122.252279	7519.722035	6721.231688	7623.353159	7839.660447	7233.068956	7105.38995
0.94_425.0655m/z	425.0655217	0.937716667	neg													16423.07621	19380.59784	18194.85579	15165.73644	17110.06638	16179.55577	22515.67791	16544.59562	16651.76777	21929.30041	16219.43345	15193.74158	16236.58359	16528.61227	16447.95827	14092.44491	17007.57516	17392.0005	19682.59716
0.94_430.0055m/z	430.0055078	0.937716667	neg													1608.582699	1567.435643	2536.348114	1994.990683	1827.623467	2720.67925	2204.125398	1837.838539	1644.183732	2067.857722	1648.249028	2170.406008	2176.739758	2425.807628	2304.0862	2072.05497	1698.221052	1677.744393	2387.267668
0.94_440.9552m/z	440.9551843	0.937716667	neg													1251.6535	1107.635065	1276.818484	1173.821564	1217.718619	1390.542904	575.8568143	621.5538619	997.2534823	1000.23744	1167.957105	928.4909373	556.1693803	1277.260229	834.868075	1133.607963	990.5009878	1219.800252	947.8667756
0.94_441.9580m/z	441.9580188	0.937716667	neg													1002.128884	1479.277653	1420.134995	906.3068691	1050.853261	1098.159135	1780.297561	1112.306046	1077.12116	939.4762734	1107.800152	1292.170959	1218.435433	1586.659413	844.5181443	1152.241033	1269.958152	1105.049427	1580.303777
0.94_451.0505m/z	451.0504617	0.937716667	neg													904.5804127	1205.309083	1207.225668	806.2326511	530.8212173	1794.650657	688.0408492	274.5425615	299.2277004	1178.804172	611.0719793	1196.000408	1453.939371	1154.207316	948.6554878	1160.708921	1533.327146	355.0774297	2294.528875
0.94_458.0102n	503.0084249	0.937716667	neg													12169.82876	13631.17971	13406.68217	11164.55097	14062.54905	13598.8689	16420.2676	11088.89105	11454.49313	15768.05981	12739.14584	9737.466356	14145.65555	11458.87607	11665.51995	10895.7234	12428.35071	11768.30747	14861.84182
0.94_464.0760m/z	464.0760222	0.937716667	neg													4591.660849	6279.162923	5628.224452	5308.784031	6271.291152	6620.925438	6472.080129	3946.609264	6593.529377	8512.206092	4673.526898	6887.432212	6940.7858	5128.406011	5956.318915	6375.035157	5694.229671	5183.680005	5869.681633
0.94_474.0315m/z	474.031469	0.937716667	neg													2419.525277	4137.092376	3920.368955	3088.421304	4595.533959	5038.463895	3982.88716	3580.931082	4465.494316	5476.908394	2516.289553	4554.202131	4244.638024	2972.125713	3703.904176	3563.478418	3466.376981	3198.705313	3532.05324
0.94_487.9317n	486.9243872	0.937716667	neg													5332.417051	5284.615517	5280.591405	4785.459831	4285.568246	4106.729193	4805.83938	3314.043287	4209.347683	6033.033843	4725.16971	3948.354417	4456.672705	3737.829345	5039.298734	2602.877382	5434.650444	3559.08455	5050.966749
0.94_496.0134m/z	496.0134345	0.937716667	neg													2005.717162	2364.198444	3078.976837	2326.466842	3002.571667	3950.971482	2390.908587	2781.911036	3502.860231	3617.116511	1758.737924	3592.984762	2939.387346	2087.951629	2681.963569	2952.65915	3357.39321	2547.149561	2613.56108
0.94_516.1074m/z	516.1074168	0.937716667	neg													1180.938292	1978.362482	1769.367828	1641.60007	1622.892362	1726.549657	2005.563955	1179.325764	694.9500162	1672.775998	1278.440902	779.8637393	1606.928728	1584.594453	1285.120187	1757.228863	1110.874388	787.1777712	2298.633326
0.94_532.0637m/z	532.0636727	0.937716667	neg													2243.724417	2729.211659	2773.019012	2903.62184	2997.18853	3299.990075	3350.455149	2529.708681	3178.340127	3481.360229	2523.531349	2187.408789	3293.586839	2138.821733	2845.127345	2144.160313	2704.090146	2479.345636	2876.632319
0.94_561.0404m/z	561.0404255	0.937716667	neg													2485.688052	3082.423593	2681.446915	2906.271849	3217.919355	2333.937607	3680.300252	2081.882635	2429.327269	3116.758382	2653.323976	1959.162081	2783.397272	2736.66079	3138.867036	2410.763916	2242.684194	2769.568732	3203.180178
0.94_568.0086m/z	568.0086294	0.937716667	neg													1515.489047	1090.512959	1546.806267	1935.155409	1679.154643	739.1596678	2012.131128	1998.349087	1663.931001	2182.023709	1279.470463	951.5478201	1030.078447	2045.364953	1450.733404	799.4102494	1234.58149	1112.449814	2012.410429
0.94_576.9603m/z	576.9602577	0.937716667	neg													2037.559355	2184.571584	2286.271358	2531.705473	826.8733656	1119.15807	2014.002799	1436.589241	1339.254747	2079.968233	519.3283852	1653.449255	3012.166699	2542.435136	1964.71552	1811.037712	1927.642787	1583.971179	2140.131303
0.95_112.0137n	135.0028772	0.94875	pos													22767.7118	23476.88751	22674.76473	21265.68632	23377.81634	25675.33363	24843.23524	19855.31173	19451.85684	24754.59456	20830.43491	22816.11144	23366.37947	23647.45847	25428.23322	21443.35489	25050.43099	22871.89385	27052.52292
0.95_113.9639m/z	113.9638804	0.94875	pos													897622.4845	868627.8224	892656.5906	911991.7294	859759.0039	837976.0091	880442.8205	879707.6562	873181.5291	898420.3524	924079.8226	847375.6446	908775.9747	903258.1863	961172.3869	946948.1153	904382.8747	954656.7782	835512.4514
0.95_114.9611m/z	114.9610732	0.94875	pos													453.108087	597.5687291	530.5279922	478.6416908	437.9353176	275.0690199	453.3558538	245.1339964	716.4599254	719.4366545	781.5715807	739.9013228	589.4643101	595.2687043	646.1646172	769.2027333	578.8604816	549.5966009	399.8179122
0.95_138.9696n	121.9662832	0.94875	pos													1689.380098	2134.614845	2020.014079	1697.281718	1654.687961	1549.349408	1913.586834	1569.610397	1615.376398	1983.521842	1899.44947	1774.664906	1958.83298	2136.950221	2056.806518	1800.999981	2131.464877	1921.827202	1719.5213
0.95_138.9800m/z	138.9800376	0.94875	pos													2839.240811	2757.643524	2901.792107	2332.042046	2581.925011	2517.255075	2365.976362	3072.997057	2842.175043	2249.921523	2595.079057	3142.382892	2551.78153	2750.731186	2741.676925	3123.680665	2641.773065	3453.631565	2227.394611
0.95_140.9753m/z	140.9753105	0.94875	pos													521.3255363	674.9500145	595.2882843	574.8172625	719.142992	498.0409564	754.546409	621.3877709	469.2683483	562.2320905	1093.364602	983.5255947	620.054654	822.0330656	915.590237	949.2093811	569.6306357	983.3691358	660.6198064
0.95_140.9872m/z	140.9872026	0.94875	pos													977.9146988	1046.018094	1289.975228	1052.053808	1287.005485	1282.451769	1156.499966	1127.823213	1092.874985	1568.332358	796.258233	1127.755817	1236.470527	943.4486506	1180.603235	894.1096943	986.4141873	1071.474322	1072.612302
0.95_144.9573m/z	144.9572855	0.94875	pos													833.1743566	794.8566465	715.3558086	904.1676571	672.3752289	742.0334847	811.7177447	655.5288463	820.1282834	763.4533946	865.297314	805.0054127	726.2499484	765.187866	574.4024371	858.7230537	710.2436106	802.1821554	774.5103395
0.95_157.9899m/z	157.989947	0.94875	pos													2675.977504	2677.573618	3523.321415	2888.853674	2803.709835	3224.54323	3704.370734	2653.66898	2861.834163	3133.223523	3002.629506	2399.793267	2946.86537	2883.7837	3169.303526	2290.371123	3380.016979	2638.518091	3636.674377
0.95_167.9820m/z	167.9819814	0.94875	pos													6676.789404	6231.062552	5924.02063	6182.578472	5393.600478	5812.41496	5456.898697	6184.718392	6558.843278	6107.359781	6204.035192	7323.662673	5731.661871	5734.117534	6463.753777	7296.047452	6220.945214	6974.78706	5246.015752
0.95_168.9823m/z	168.9822617	0.94875	pos													4066.161066	4362.785518	4040.085743	3553.677014	4368.461062	4165.013552	4261.338361	3914.303327	3302.489304	4669.384944	3671.943884	4310.706476	3413.492293	4123.135768	4363.239654	3892.881542	3873.102366	4004.88056	4428.602377
0.95_174.9926m/z	174.9925842	0.94875	pos													9342.371034	9364.137872	10268.56496	9237.62012	8948.786547	9458.685377	9926.857833	8791.97295	7775.378032	10301.12509	9102.21151	9917.20441	9403.945924	9678.714288	10150.79691	9160.268371	9178.952041	9843.210034	10527.34201
0.95_184.9920m/z	184.992008	0.94875	pos													888.5861783	530.5241257	601.0165843	355.0634392	693.0475796	753.6871021	552.4523706	546.6997973	347.9474942	478.7009365	731.86748	422.0054475	693.7718559	691.597019	429.8859899	384.6221644	735.0134433	394.9712413	286.5025988
0.95_185.9846m/z	185.9845975	0.94875	pos													23765.71433	19972.30264	25179.19691	21829.17585	22024.01317	21113.03275	23662.32461	22872.18028	21672.92715	23267.84783	22122.66109	23528.42529	24095.99199	22433.67916	26599.63513	20021.30845	24104.46912	24228.59605	26106.07724
0.95_202.9875m/z	202.9874731	0.94875	pos													38175.47262	35511.35363	39211.69129	31767.34822	36834.35612	39212.42768	37779.49568	37130.46346	30273.21478	39697.9405	37388.11735	39670.28414	36456.72841	36101.32141	38318.39036	37375.64301	39012.11401	42694.63192	41270.77444
0.95_204.0214n	227.0111728	0.94875	pos													40453.06834	37538.69864	41934.50913	35019.7552	41535.40425	36541.83497	47802.66084	36364.60206	33109.97738	42830.32743	42116.07215	36481.63003	41025.77047	37788.78366	48487.52668	35383.96621	43361.99097	35003.47479	43857.42881
0.95_205.9871m/z	205.9870877	0.94875	pos													3244.949417	3189.043294	3727.074373	3058.851234	3568.910277	3388.561525	3895.81388	2846.873306	3059.725794	4138.95839	3258.906073	1381.312944	3262.599897	2712.932873	3557.525225	2790.384152	3947.680578	2650.595151	4296.3387
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0.95_334.9699n	317.9666605	0.94875	pos													6370.917251	6842.976504	6631.639645	6167.349389	6264.849903	6324.534203	5812.002745	9916.831076	8857.837591	8307.386131	5206.43565	5073.050828	5110.71808	5844.21024	5620.194869	4706.882957	6803.402054	5322.870403	7577.204482
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0.96_345.9966n	390.9948114	0.958133333	neg													25840.12367	24989.34141	25823.33917	21622.8099	24778.11622	25454.63962	28982.6507	22165.32715	22413.15256	29585.22792	20948.42599	21906.34549	28291.57034	22964.87614	24957.88122	21403.59377	25999.68842	22274.2304	32527.94415
0.96_351.9259m/z	351.9259314	0.958133333	neg													6467.189807	6537.545607	5766.23274	5729.306327	6523.704139	5057.284975	6727.409513	6196.850874	5499.53004	5782.808094	5724.92995	5209.795365	6001.921525	5890.551004	6325.920139	5572.911752	6668.416363	6182.534985	6588.630632
0.96_354.0033m/z	354.0033465	0.958133333	neg													3894.496912	4182.261585	4450.654175	4869.866452	4344.94914	4372.257462	5011.541416	3980.297088	5429.565521	4670.506781	5052.697936	3258.68157	4743.814468	4382.369635	3661.290084	3643.476904	3522.501997	3774.693505	3892.29737
0.96_354.9133m/z	354.9133362	0.958133333	neg													1583.803613	1971.784107	1744.948305	1985.016713	2058.907	1333.483235	1586.870386	2079.957139	1707.309832	1955.015662	1919.07455	1934.465548	2012.203731	1555.23492	2092.915591	1869.100711	1338.561291	2042.876193	1304.339303
0.96_360.0679m/z	360.0678731	0.958133333	neg													3739.557065	4640.557998	5045.238956	4220.363611	5363.079777	5441.519811	4941.880191	4118.915176	4445.604916	4836.140425	4706.044843	3460.557582	5485.023237	5785.239362	5790.874297	5486.944442	5578.037739	5556.410517	4788.746193
0.96_381.0392m/z	381.0391877	0.958133333	neg													30617.42853	32702.12068	34790.75445	29490.55533	32940.97777	33654.52792	38559.77838	34311.42233	36167.32974	37333.87955	30860.05663	26138.63494	38629.04906	29167.64149	33997.55779	28378.12583	31406.53945	31382.71229	41691.81795
0.96_388.9844m/z	388.9844165	0.958133333	neg													9396.4027	9355.25027	10620.52167	9044.765874	8920.102352	9326.015043	9569.789015	8818.533956	9060.067712	9720.905815	10099.11803	6808.548036	12356.09194	9071.09759	8561.982035	8827.175003	10247.98312	9864.411955	11652.48558
0.96_390.0280n	435.0208503	0.958133333	neg													18764.1083	20903.22606	18917.38729	17842.69295	21639.86398	20212.80022	26374.08745	17207.87284	17674.14277	25774.49326	17400.26383	17755.19903	19989.76313	20469.56629	20854.18768	17512.5683	20312.14557	17963.82836	26061.27947
0.96_397.9735n	442.9661827	0.958133333	neg													6948.088474	6578.642179	6512.285379	5846.679192	6249.156392	5452.864947	7367.921249	5059.92625	5012.019452	5690.50911	6271.79221	4650.588426	6005.142395	4919.87639	6505.279657	6162.128052	6538.508848	5624.474031	5741.750726
0.96_398.9399m/z	398.9398662	0.958133333	neg													5283.939958	4437.007274	5171.269096	3973.207386	4989.060998	4968.846192	5520.916768	4239.727139	5071.3364	5537.056884	3845.753437	4887.15566	5351.762002	4985.51844	5019.893482	4672.021732	5322.65889	4963.147894	5459.784186
0.96_399.9836n	380.9657478	0.958133333	neg													3203.380127	4116.391249	3371.53081	3841.329416	2991.815988	3677.56185	3744.354759	4022.622452	3110.092715	4419.364564	2707.727774	2561.619774	2707.470477	3065.530633	3337.366818	2941.275529	2914.662262	2711.415963	2933.598282
0.96_406.9888n	451.9870962	0.958133333	neg													1578.782757	1607.868357	1634.446222	1061.736633	1802.797549	2054.672261	1308.141272	1249.684554	1150.963206	2210.350897	935.0123322	1926.780236	1903.057451	1741.539652	1514.709873	1618.860069	1250.230791	1210.019648	1800.110261
0.96_411.9323m/z	411.932319	0.958133333	neg													2813.570719	3520.322789	3673.569645	3709.049904	2701.423301	3147.687517	3852.195678	3812.6777	2681.286679	3423.035207	3555.803674	3235.198967	2961.897634	3038.35544	3499.224893	3335.593563	3369.752114	2968.148932	3788.160019
0.96_411.9691m/z	411.9690768	0.958133333	neg													6404.56051	6523.572479	7669.670694	5817.356146	6235.234378	6996.117805	6493.902465	5917.673985	5239.478669	7353.43459	5797.558202	5099.83647	7540.294851	5359.495919	6083.043235	5522.959522	6669.460716	5090.471218	8692.967719
0.96_412.9765m/z	412.9764844	0.958133333	neg													4282.554	4824.035865	4426.231643	3580.548	4606.626502	4371.855015	5567.504223	3916.400781	5396.550026	4972.341754	4720.378125	3562.672431	5057.540121	3743.092814	5002.188481	3981.999536	4630.313994	3889.224551	4657.861903
0.96_420.9208m/z	420.9208423	0.958133333	neg													1790.914357	2014.813137	1744.757577	1638.449848	2019.048606	1920.417574	1579.153203	1366.198979	1303.00564	2497.023068	1254.334756	1319.475117	2017.741722	1507.910943	1536.56293	1167.683301	1803.055725	1984.102849	2242.160785
0.96_421.9241m/z	421.9241301	0.958133333	neg													1194.52703	1170.702152	1255.307778	949.3896681	1229.465798	1429.724497	1022.759664	775.4694021	940.3790418	1485.771569	888.9398132	1252.032075	986.7342097	706.9912462	1080.411688	746.8874211	989.3329773	1081.490867	1327.927762
0.96_427.9661m/z	427.9661297	0.958133333	neg													1163.343114	1637.401721	1858.46669	2046.670353	2142.949802	1951.69078	2143.513317	1446.128477	781.9305369	1505.103592	1113.559098	894.020806	1983.197823	1676.862385	1679.001075	1197.702468	1372.702819	1761.406282	2246.480509
0.96_433.0102m/z	433.010163	0.958133333	neg													8523.025379	9005.000734	9172.522139	8745.427743	7766.120033	8260.921664	12034.98374	7385.412447	6548.176954	9959.984799	8380.583519	6467.791431	7598.658622	7078.684505	8343.360239	6851.277831	7704.833937	8414.622972	10383.11497
0.96_449.0266m/z	449.0265893	0.958133333	neg													7696.504639	10348.07052	9732.49558	7825.012522	9004.276201	10316.81389	10506.84439	9357.068057	9193.382252	10975.17057	9546.77619	7567.000072	10290.91428	7789.123986	8509.782042	8652.655957	8340.282741	9554.526287	10207.04248
0.96_455.9950m/z	455.9950039	0.958133333	neg													3571.187965	3250.63664	4723.35807	2284.736731	3446.06081	5935.957719	4399.235797	1279.454836	1570.475393	3884.470125	2135.117522	2488.612865	4090.949026	4204.125943	3173.186835	3214.987796	4798.521138	923.8861416	5678.20313
0.96_463.9405m/z	463.940504	0.958133333	neg													968.6286065	1445.897364	1781.875603	1239.954849	1734.425354	1884.267077	1650.687039	1463.945359	540.0500715	1406.734284	1826.027368	1564.307707	1497.266225	1946.541376	1485.694287	1259.87979	1298.713718	1220.420286	1343.819522
0.96_476.0931m/z	476.0930979	0.958133333	neg													2633.821737	2243.384942	2508.693741	2306.165352	3611.077176	2593.24073	2295.173524	2201.40975	2760.76741	2548.514379	3182.644434	1565.180771	2382.005659	1000.010853	1577.550604	1591.952514	1525.314124	1367.82066	3151.478448
0.96_493.0528m/z	493.052833	0.958133333	neg													9137.390829	9481.457586	10859.26308	8184.026786	10433.49251	8854.11158	12835.18158	9576.180153	9935.231159	11826.05654	10232.89829	8294.323831	9198.314963	9400.142739	9258.718615	7767.376727	10004.08622	9502.205064	11504.4153
0.96_500.9973m/z	500.9972712	0.958133333	neg													1401.812225	2291.395054	1459.106087	1766.774757	1797.440023	1425.845097	1067.517277	1263.834688	734.1585315	1867.50919	2140.514748	1569.64595	1961.697907	1487.978861	1287.597726	1541.75412	759.1539424	953.6915828	1998.023937
0.96_523.9823m/z	523.9823423	0.958133333	neg													2935.621816	2873.526446	3773.767265	2767.718635	2387.03633	3761.271934	3177.12038	2414.464937	3137.665122	3971.326883	4379.209163	3303.409406	3282.982846	3456.722341	2560.552791	2559.570675	2912.338834	3895.424773	3391.715601
0.96_526.9699m/z	526.9698842	0.958133333	neg													2324.857641	2014.962355	2114.53363	1600.552292	1359.008864	1481.819732	2326.910949	1435.434032	1531.843307	2189.108611	2661.382656	1211.379538	1869.585412	1899.956363	1302.747825	1932.330132	1294.022457	1449.921364	1557.147555
0.96_537.0791m/z	537.0791241	0.958133333	neg													2373.009955	3573.717484	2433.764678	2218.427431	3130.323285	2642.266827	4090.489054	2417.793037	2252.117999	3748.149012	2558.680485	1959.102074	2361.810267	2838.138429	3218.201705	1724.45305	2555.012683	2039.113166	3229.523023
0.96_570.9955m/z	570.9954861	0.958133333	neg													3108.816262	2545.613259	3944.157703	2007.506343	2276.545615	3040.606485	3666.389397	2822.417326	2803.329173	3743.254884	2889.849651	2504.24184	2387.358204	2217.553209	2804.452983	2464.245281	2399.033479	2645.188803	2591.886788
0.96_605.0662m/z	605.0662326	0.958133333	neg													2506.61718	3024.527554	3270.564049	3038.608931	2680.463643	2551.228222	3804.493646	2318.070205	1943.617538	4164.234839	2866.703257	2123.196048	2946.937585	2482.762424	3500.709988	2463.052647	2873.415006	2611.205115	3093.19673
0.96_615.0220m/z	615.0220487	0.958133333	neg													3915.745902	3977.570457	3916.757029	3146.358285	3111.178932	3440.515208	3388.177994	2310.893293	2981.632251	4343.745004	3698.312569	2670.618508	3395.976325	3293.435656	4102.317029	2064.72378	3413.803979	2776.861007	3779.598166
0.97_117.9598m/z	117.959796	0.968583333	pos													9005.219462	10631.25939	10088.76877	10384.55608	9871.996507	9758.186954	9322.528219	8930.390355	9336.808879	9801.810866	9689.592098	9455.917483	9773.795076	9549.848251	10527.88855	9879.492285	10053.36359	10662.02239	9204.70114
0.97_129.9542m/z	129.9541955	0.968583333	pos													631.9921756	569.4119057	879.0830354	512.2419393	545.6209961	677.0021713	494.5214605	636.0282236	431.6897966	618.3714677	587.6864383	634.6871808	716.8740919	540.4035791	362.4407233	492.6216331	620.1778972	749.9386566	470.4710395
0.97_163.9649m/z	163.9649323	0.968583333	pos													818.8438406	1118.945505	1030.054269	793.3515594	1059.82187	606.7013782	918.159348	998.0704523	1185.017199	665.9901743	1068.745522	853.0356452	1193.840153	1089.495005	929.3814826	814.0524685	885.9623256	1128.90059	635.5264081
0.97_169.9655m/z	169.9654872	0.968583333	pos													5381.11666	5537.918464	5129.610253	5955.723102	5300.721161	4637.854668	5197.642066	5270.545155	5041.824324	4705.263395	5703.876896	6535.859758	5428.191323	5557.323748	5653.544891	5649.039377	5001.054321	6676.205812	4542.627403
0.97_181.9776m/z	181.9776367	0.968583333	pos													2970.725879	3108.229755	2644.708601	2777.648798	2948.058823	2523.162212	2900.34813	2567.418071	2929.2705	2823.049605	2817.893102	2736.598858	2982.917258	2225.804079	2834.060286	2494.130549	2863.787102	3199.225503	2812.272786
0.97_188.9498n	211.9405138	0.968583333	pos													16052.62741	15657.58807	16855.0015	16999.92929	16882.68533	16857.91564	16428.20316	14067.45787	16127.11727	16620.32508	15514.59404	14276.08982	17818.93949	15734.29112	15382.45846	16305.34681	16603.1567	17663.59103	17361.09477
0.97_190.9634m/z	190.9634039	0.968583333	pos													1522.693651	2077.048585	2649.701766	2420.32593	2505.304294	2457.335924	2654.298791	1508.29205	2316.081957	2354.099627	2201.488106	1126.588305	2732.910881	2752.560754	1973.515334	1946.169109	2408.061988	1825.238928	2363.742881
0.97_205.9759m/z	205.9759004	0.968583333	pos													3774.42807	3327.357286	3213.092874	3288.545886	3050.111743	2339.183752	2817.148402	3555.209727	3577.862285	2963.93781	2986.585234	4182.48038	3102.959722	2971.922652	3128.89657	3027.116738	3326.738828	3980.293458	3749.172837
0.98_133.0300m/z	133.0299795	0.9796	neg													1662.851793	1940.061495	1912.976816	1661.364931	1871.269617	1632.487844	1727.313968	1817.425845	1766.945253	2004.946367	2075.025634	1649.481018	1983.456149	1924.876759	2182.379376	1712.25686	1889.260544	1749.679625	2250.973417
0.98_141.0368m/z	141.0367611	0.9796	neg													370.4397472	373.5448503	398.0628569	317.1785061	310.7730405	259.0245046	390.1252557	454.562617	334.0424092	297.9522483	341.5195012	274.9440905	329.7927343	380.2385768	381.3594638	275.1597597	343.1958592	302.9035596	418.3454078
0.98_144.9581m/z	144.9581488	0.9796	neg													1336.659266	1221.187003	1362.168758	1197.308559	1318.095354	1283.042363	1160.361354	1011.169029	1111.348459	1272.070235	1137.911808	1140.594953	1430.569668	1336.049099	1143.583961	1262.780043	1487.276522	1056.463095	1448.274097
0.98_145.0857m/z	145.0857253	0.9796	neg													1292.489889	1214.442568	1429.289518	799.8999486	1552.469369	1681.837283	1004.075444	1459.211249	902.4253332	2204.076559	939.7672154	1322.751023	1541.868706	850.592673	1234.621828	1062.515316	1383.637168	867.6355861	1292.947505
0.98_157.0106m/z	157.0105879	0.9796	neg													157773.4517	163238.1489	166408.9186	159495.1515	164448.4579	159832.7233	172986.4376	163627.5543	165819.9911	172616.5764	182391.6697	142412.8791	159988.2419	159093.805	161853.3338	162781.0839	162166.8202	165573.0702	166962.9527
0.98_171.9459m/z	171.9458933	0.9796	neg													1063.623053	892.6751784	1116.802456	1002.896827	914.1564606	861.3303777	941.1103501	862.60134	1187.779691	1065.697855	839.3177487	757.4646476	1079.12632	768.5450482	897.724645	871.437029	990.8852484	873.0660213	1043.550017
0.98_186.9220m/z	186.9220184	0.9796	neg													866.6719917	1055.351195	770.8131714	769.8023117	871.3261105	823.1331756	1372.847107	762.0775759	671.1519554	1004.709442	915.8765745	936.135173	1016.764589	1275.905467	866.7233935	1131.478522	829.3502578	710.0809946	848.6731826
0.98_186.9530m/z	186.9529983	0.9796	neg													1248.98839	1235.863197	1210.9907	993.8215875	1041.043286	959.3407395	1328.027036	986.268081	864.2377788	1286.187516	1140.59693	1019.683801	1127.504267	1167.42186	1246.140173	1323.437715	1209.353467	1179.166498	1060.658111
0.98_189.9554n	188.9481184	0.9796	neg													37959.8053	34984.80768	37188.3639	33514.75222	36273.68855	34360.00784	37574.14998	35163.16518	34735.3676	38505.26317	39545.28138	32976.73077	37304.11291	35795.69668	34455.57065	37559.91228	36448.25517	36689.64398	38199.9798
0.98_196.9561m/z	196.9560957	0.9796	neg													559.7116785	524.5556527	625.5645983	470.8887952	544.7397742	633.980196	603.2944847	381.6392756	413.2721426	549.9685409	448.3201071	591.1196531	582.9868763	667.9149875	670.560554	526.8137533	686.7763675	344.8765339	668.0340103
0.98_199.0216m/z	199.0216068	0.9796	neg													713.1379651	786.0090303	724.215791	676.505422	552.7740177	641.1299719	642.6070238	779.6597206	793.2069537	758.5820759	676.4214318	1073.407048	759.324628	788.2261387	642.9606728	848.2447302	568.1672886	751.9012191	687.4770363
0.98_203.0039m/z	203.0038987	0.9796	neg													144.3406066	248.9323978	179.4338588	40.95281506	59.72977211	178.6256629	79.94820422	27.2471154	135.6961242	90.67199753	95.29477269	136.3202444	98.51998929	142.8099298	276.7516505	150.570579	159.2490257	45.44506448	131.9688419
0.98_223.9175m/z	223.9174899	0.9796	neg													1352.453581	1501.706035	1374.947359	1549.267804	1260.116505	1185.864376	1390.034406	1348.456899	1205.769647	1462.275933	1598.491136	1239.178769	1216.131787	1495.377488	1513.827776	1560.449106	1736.881549	1769.042609	1311.356712
0.98_233.9464m/z	233.9464207	0.9796	neg													17752.75166	18438.79245	19212.48855	15090.53536	17817.44206	16865.30149	19050.65682	16763.87617	15405.95853	20193.10457	19154.84977	16066.78742	17286.4343	17251.3536	17014.50495	18073.04572	17040.03565	17143.80414	17152.23737
0.98_241.9891m/z	241.9890744	0.9796	neg													3361.692476	3656.968761	3355.958193	4252.775501	3588.748591	3758.464219	3675.266562	2981.086691	3008.070379	3351.412609	4431.778947	2960.235112	3808.092577	3400.19837	3624.192319	3801.872055	4091.510934	3522.947571	4014.780529
0.98_257.9437n	302.9422319	0.9796	neg													23598.29656	24678.83941	24095.45814	24174.24087	24462.53242	22751.90789	23749.77927	22774.61232	23507.38816	25089.52055	27509.01187	21822.98244	22152.79163	25178.24219	25120.02348	24974.29044	25034.2608	25427.19267	23862.16924
0.98_273.9271m/z	273.9270887	0.9796	neg													1056.103494	984.3817446	893.7928587	706.7248938	1087.98759	1307.656538	751.4084836	767.3683276	904.6146174	1179.050296	1028.537882	766.1153559	1146.299266	1063.330592	1083.537014	1047.793385	1346.958755	974.3393349	934.6335088
0.98_276.9613m/z	276.9613044	0.9796	neg													2188.848286	1778.247365	1757.024475	2370.847098	2178.490892	1463.940458	2847.290989	2620.71657	1989.010696	1383.758724	2747.878788	2330.052146	1856.550102	1945.190114	2591.730603	1974.849112	1840.643193	1800.399665	1718.713778
0.98_276.9707m/z	276.9706963	0.9796	neg													16213.68061	16351.68284	16934.00692	17784.25086	16957.01872	15353.48329	15534.38207	16078.49283	14924.29225	16925.62535	18351.97957	14700.2243	16793.48718	17217.13806	16072.8019	16238.74701	17802.30034	18366.86015	17617.44434
0.98_334.9294m/z	334.9293837	0.9796	neg													508.5801668	751.8798781	494.5681103	284.583378	531.1363751	220.7136626	451.2767065	368.2660752	193.057954	249.9552272	455.356727	301.3673114	417.850605	746.3076206	627.9314467	1048.380513	723.6328118	878.6534424	676.7499345
0.98_336.9391m/z	336.9391034	0.9796	neg													2052.938768	1714.240235	1608.836593	1977.491916	1685.807385	1875.442687	2336.159177	1816.43318	1932.220874	2287.378839	1837.35288	1225.317301	1904.248865	1660.230575	2131.329494	1966.942912	2116.448311	1944.482947	2374.585772
0.98_350.9145m/z	350.9144571	0.9796	neg													1169.781604	1347.844591	1275.611701	1104.301728	1294.712199	774.0510409	1533.258359	1520.636245	1117.737298	1024.497373	1072.903687	973.2829946	1067.405337	1174.199115	1285.800938	967.7959437	1210.780799	1338.683354	1093.729424
0.98_368.9503m/z	368.9502735	0.9796	neg													5247.989529	5344.549729	5820.596467	4808.980772	5299.606145	5299.094899	5188.765542	5111.761803	6159.093933	5614.846817	5922.845891	5368.511086	6020.239417	4982.774276	4867.775523	5744.368254	6211.839563	5398.023318	6227.709314
0.98_414.0443m/z	414.0443177	0.9796	neg													11761.09749	16949.16934	13742.43054	9554.448143	15236.66145	15832.07648	20058.05245	11500.73171	12155.49441	17264.13938	15046.21376	12415.36174	14348.43452	16537.51015	12042.20763	14836.04406	14577.55462	13137.4595	14438.34571
0.98_435.9301m/z	435.9301224	0.9796	neg													2519.145545	3054.101283	3237.665579	2356.216753	3039.417996	2985.166339	3355.188138	1445.149803	2203.664058	3235.876993	2636.055998	2362.336674	2964.025751	3284.888342	2542.603478	2594.696284	3259.205844	2038.398987	3456.520678
0.98_444.0338m/z	444.0337627	0.9796	neg													2303.24633	3101.345355	3042.666572	2261.540954	3325.805943	3301.699137	5847.233139	3016.443604	3966.518509	3575.273788	3209.836675	1811.894542	4017.817132	3111.937065	2582.175422	4613.192243	2860.084294	3293.767054	2327.967195
0.98_445.9803m/z	445.9802943	0.9796	neg													973.7210497	1556.193588	1093.019623	684.7560468	1410.970642	1213.636085	1701.186836	1359.51973	1064.865525	1121.215314	1431.726825	999.1161625	1421.818112	1293.934134	1057.712778	1215.375709	1196.150613	638.9554308	962.9209217
0.98_458.0697m/z	458.0697415	0.9796	neg													8750.202562	8850.941734	10943.69286	6890.213278	13655.27732	13525.85779	12832.34149	8464.491752	10541.71978	14878.68528	10153.74823	7326.126523	11180.95608	8971.083944	10714.26226	9823.924736	9046.253108	6739.161111	9661.476648
0.98_466.0165m/z	466.0164662	0.9796	neg													3018.162989	3464.515881	3897.196395	2764.949628	4338.252051	4457.112649	4812.582499	2575.904636	3278.343683	4395.623087	3481.779495	2917.702354	4363.466129	4290.131539	3815.599085	4322.445124	3803.091653	2492.349135	3817.69105
0.98_482.0309m/z	482.0309425	0.9796	neg													2641.189722	4495.429944	4775.837035	3870.524747	4127.468478	4475.811552	5188.978694	2432.579963	3821.842679	4324.859461	4168.687045	2782.188877	4502.539807	4452.34176	2815.958546	3787.497708	4595.039052	4445.044696	3607.909698
0.98_482.9430m/z	482.9430149	0.9796	neg													2361.954785	2434.71088	2065.853487	1772.563036	2348.332961	1448.166668	2282.214385	2391.097956	2228.402177	2874.299531	2085.119654	2500.5025	2042.841874	1924.931778	2729.475975	2152.612094	1791.504195	2192.522415	1742.517321
0.98_526.0581m/z	526.058086	0.9796	neg													3563.28697	4052.663992	3798.802109	3254.014041	4888.213949	4349.141537	4876.06016	3920.840132	4509.045223	5906.24115	3886.5173	3328.558985	5679.585905	3820.57603	5035.828285	4666.158814	4389.334757	3306.930227	4508.296465
0.99_115.9679m/z	115.967925	0.9872	pos													770.0550768	1127.390808	922.598752	929.1803992	1038.938919	895.5266609	893.2933587	881.2953538	1109.867498	919.0535815	999.433183	1057.628112	907.2183828	1131.636454	605.5402301	1041.08021	1031.17543	1173.329638	866.4630553
0.99_125.9642m/z	125.964225	0.9872	pos													3558.423606	3699.295656	4076.456678	4283.289987	3972.42838	3931.303029	3965.974858	3424.178698	3979.104242	4006.75836	4299.520816	3443.609989	4353.079181	3708.677053	4375.690499	4143.556586	3839.478451	4308.237126	3700.811912
0.99_132.9774m/z	132.9773587	0.9872	pos													787.0897377	579.684387	730.1534502	674.016829	921.9741137	483.2123048	571.7612579	584.5095186	476.9690535	679.5191324	511.0036436	618.7374387	990.3748167	760.3008933	629.5280392	634.7698125	767.8437043	559.7308257	518.3863696
0.99_155.9743m/z	155.9742937	0.9872	pos													1920.975601	2651.313118	2475.075024	2793.99323	2674.034165	2524.453056	2717.843094	1913.318958	2603.422738	2699.63173	2530.490418	1413.863118	2601.267989	2685.592287	2367.34504	2167.907154	2782.389273	2460.092823	2153.181037
0.99_173.9567m/z	173.9566942	0.9872	pos													640.6446639	773.9752207	872.1638119	771.8936096	673.6465278	539.1636976	623.3443149	689.1935562	556.4291787	673.517129	537.6133228	667.492638	747.7615828	469.7322522	637.2480885	608.3488745	641.9299426	752.1641949	693.0886543
0.99_197.9924m/z	197.992364	0.9872	pos													2353.54955	2315.021353	2429.211771	2024.947862	1991.075318	1532.964815	2270.817093	1932.312688	2414.798514	2336.128699	2117.013687	2139.790127	2365.313031	2020.028079	2683.04344	3026.107749	2676.032886	2979.915027	1848.713833
0.99_208.9436m/z	208.9435619	0.9872	pos													1874.867452	1380.969563	1897.934892	1737.958656	1382.563321	1482.116788	1874.262486	2059.768741	2292.81539	1283.768018	1979.24835	2450.666799	1465.163363	1682.068549	1464.19424	2530.319986	1926.323902	2558.007469	1644.321557
0.99_222.0116m/z	222.0116072	0.9872	pos													5138.056652	5384.478287	5863.480425	3860.252503	7223.423212	5936.91832	6653.72943	4914.766688	4405.705402	7059.47812	6373.470485	4239.917523	5847.49653	5459.830216	6020.835508	6156.331884	4850.401372	4888.887531	5090.086883
0.99_222.5133m/z	222.5133058	0.9872	pos													405.9675017	395.105288	552.5984452	353.139047	797.1097575	602.0880894	776.8165014	676.3460404	629.0339217	737.3881276	845.3353253	346.1108276	728.6466773	422.0822799	583.9433106	776.7054188	480.9108901	514.4077079	502.7298651
0.99_224.0115m/z	224.0114954	0.9872	pos													1168.653736	1098.375399	1160.544852	1467.382775	984.6450076	957.3443962	754.3442459	1064.631096	1191.425053	1115.581066	1056.197439	899.913661	1204.066629	962.8523496	1302.625974	1404.273514	1078.170456	1115.15342	883.9315203
0.99_241.0310m/z	241.0310296	0.9872	pos													1468.400808	1682.728762	1021.79194	1145.229231	1738.230581	1705.284833	1537.890506	528.1885905	1048.207886	1840.444054	1207.021344	1127.861728	1791.429978	1901.131697	1219.719283	1194.754754	1407.49434	917.601183	989.8477839
0.99_242.5248m/z	242.5248019	0.9872	pos													861.9829414	1010.827783	1188.191269	1089.755173	1424.715781	1280.373784	1025.95937	1151.675945	947.0482315	1838.051901	997.5530584	742.2792691	1381.583831	1029.592566	1239.336321	1138.607152	970.2813774	960.3972038	983.36262
0.99_252.5891m/z	252.5891454	0.9872	pos													2868.996551	3248.854781	3038.216999	4288.248498	2138.292895	1948.973726	4070.625086	332.1824144	1993.561073	2309.288468	3839.51334	1747.356212	4394.270653	3290.408793	2363.121414	2465.020472	2339.778214	2856.01927	3909.022527
0.99_255.1213m/z	255.1212924	0.9872	pos													1572.303245	1934.408692	1787.858963	1256.095386	2304.909967	2908.34328	1050.659162	1806.345627	1589.899645	2099.479294	969.091179	655.1018736	2595.75575	1711.320401	916.5330679	1449.547735	1524.188525	1319.905338	1965.944608
0.99_325.2201m/z	325.2201297	0.9872	pos													14755.14904	14624.92237	17054.72091	16636.34912	17730.09756	16888.94711	17074.41751	15779.05471	17074.13612	17045.31486	17626.63884	12284.55861	14224.41501	13405.57237	12725.81113	12818.69744	14169.77049	15703.98046	14867.14576
1.00_112.0390m/z	112.0389611	1.001316667	neg													281.1674814	281.6545486	345.4425622	288.6610158	184.8337057	468.7686973	231.6140246	353.4872711	375.1103833	192.7884597	242.6272877	286.0983644	274.7905576	298.0806887	180.4892786	224.3405106	335.1592183	193.3802331	317.2670786
1.00_123.9450m/z	123.9450128	1.001316667	neg													2653.538994	2500.372773	2451.261795	2603.698841	2345.177863	2513.412032	2424.909532	2520.227954	2522.630475	2571.888881	2971.366755	2597.547359	2554.172297	2576.58876	2548.863712	2578.359345	2639.654852	2598.690255	2352.292193
1.00_136.8618m/z	136.8617527	1.001316667	neg													2518.136968	2317.079959	2433.603412	2197.329913	2456.88295	2249.542362	3370.32417	1766.058862	1841.312891	2352.115906	2982.786311	2207.322438	3047.286957	3900.915205	2615.350288	3049.390844	3109.7473	2191.26753	1919.800126
1.00_139.0024m/z	139.0023972	1.001316667	neg													374.6210778	270.9421577	334.88982	297.5625564	345.86868	363.7162422	314.4727599	199.8649554	249.2542001	260.9663023	257.3303725	264.6799409	317.2361047	397.0181381	241.0212086	349.1259495	306.0898001	269.0260279	362.0393825
1.00_155.0701m/z	155.0701335	1.001316667	neg													630.3579119	435.2466992	583.0383644	610.9478148	580.0644774	464.6878169	683.6289238	378.7263419	427.3478343	513.0349989	446.7424289	557.6632553	611.6840726	687.8830349	662.3117877	552.8080926	466.3577994	507.6638173	542.0097566
1.00_177.0482n	222.0437424	1.001316667	neg													735.7775501	809.1062329	717.9599794	905.7765874	604.8751275	919.8416211	985.1105322	703.4082329	682.0209388	838.7375049	791.3853741	824.456436	952.0920054	1072.689509	745.8245811	677.4318905	904.9834292	670.0983472	806.100171
1.00_184.8887m/z	184.888738	1.001316667	neg													1170.823754	1230.403903	1424.921015	1042.746672	1178.091202	956.1022268	1180.47366	1477.783773	1124.487606	1107.672514	1509.715806	1032.92333	1008.787623	1116.78731	1484.844418	1437.617815	1201.66681	1162.85276	1168.753158
1.00_198.8939m/z	198.8939459	1.001316667	neg													350.9301094	249.9664621	266.13357	187.775129	257.4739983	309.3258582	221.1020053	174.6764016	178.8749903	184.5444562	286.8260169	253.3125363	350.9113853	391.9325553	270.8078683	344.6724638	361.5634592	211.3051646	172.9852911
1.00_203.9360m/z	203.9359841	1.001316667	neg													1185.887114	934.4968833	1366.713042	945.2304763	1019.087352	1253.469414	1293.490306	1060.076636	758.870439	1136.964393	1186.314529	996.9418049	1192.503059	1119.857883	1129.375737	1371.668917	1375.481279	874.9871576	1370.723041
1.00_214.9697m/z	214.9697218	1.001316667	neg													2439.224225	2479.908019	2569.20232	2298.234817	2441.682647	2577.834691	2660.043926	2055.897579	2161.067863	2640.575808	2862.515107	2123.094674	2226.533997	2655.258472	2670.848931	2762.312126	2809.630558	2159.967564	2683.617213
1.00_225.9145m/z	225.9145352	1.001316667	neg													246.9024997	306.8141449	216.5595538	268.9003683	358.4990818	316.7253271	353.2170165	262.7457171	243.1592845	352.9850367	399.7507907	255.4045608	232.1635543	259.4003937	370.483079	262.1665434	244.0820159	370.1059058	271.7089632
1.00_227.8808m/z	227.8808279	1.001316667	neg													333.8641347	333.7100294	368.8249109	359.2105588	326.1249464	333.0527528	187.9036585	254.720165	336.7488496	381.4311394	396.1985458	430.9634667	239.0398936	318.4793767	330.6078698	255.1992608	326.4548615	305.1783246	176.0059322
1.00_249.9344m/z	249.9344473	1.001316667	neg													761.0837279	725.9830306	975.9613625	861.2906786	789.9169749	995.933664	868.4780473	737.154469	577.2711487	843.5029532	750.4326542	829.1283797	680.1000878	974.7320812	779.7523537	949.0570272	882.2419334	931.7528598	882.0801926
1.00_282.9579m/z	282.9578956	1.001316667	neg													2595.477915	3202.407853	3200.071574	3055.608996	3247.492051	3300.953352	2781.639572	2630.004572	2844.950967	3155.362759	4262.226176	2756.851065	3271.013756	3303.097155	2561.487618	3273.874931	3106.017457	3293.81706	2993.702665
1.00_305.8845m/z	305.884493	1.001316667	neg													864.9917115	1031.137598	1031.700279	1082.129425	1044.105943	313.3779262	661.5695461	705.2126029	901.7475041	753.1752151	916.7623945	1034.569859	639.6315911	892.5297302	900.7235244	1099.645706	810.7972392	787.5776699	533.4730817
1.00_307.9004m/z	307.9003887	1.001316667	neg													2254.342226	1856.381237	1823.835439	1756.827305	2007.889874	1489.056089	2089.528314	1873.786374	1564.608876	2248.316624	1733.25792	2166.088584	1719.490201	2179.800015	2173.290661	2024.998539	2414.021195	2066.800744	1953.817141
1.00_309.9770m/z	309.9769979	1.001316667	neg													2327.593916	2534.175924	2701.769148	2617.083838	2533.193749	2270.75984	2497.885103	2534.568136	2921.201775	2936.812955	2877.813759	1993.775366	2130.439889	2655.003965	2193.724649	2709.002133	2098.782789	2496.574525	2376.973644
1.00_310.8875m/z	310.8874732	1.001316667	neg													1347.146507	1321.749701	1155.955123	1515.101766	1454.844238	1370.521896	1283.561365	845.4737374	916.2559692	1370.246055	1526.268543	1387.388611	1324.039796	1654.920582	1260.869197	1572.782369	1468.587212	1048.37764	1040.634745
1.00_312.9974m/z	312.997357	1.001316667	neg													714.0635711	742.4523362	1002.715785	1436.154739	92.04917045	967.7360454	158.1818364	1450.607366	1265.345659	163.5420965	783.8778152	1918.691384	339.2621372	531.3483536	246.1383535	839.9747105	728.6427422	1079.926592	1550.498052
1.00_314.8959m/z	314.8958648	1.001316667	neg													1402.53434	1209.037176	1373.893354	1326.531448	1366.320148	1014.44647	1299.195765	1053.173969	1085.946565	1242.477112	1134.439796	1228.33269	1397.262601	1344.376479	1435.054495	1412.374135	1407.943024	1062.639971	1063.83041
1.00_324.9241m/z	324.9240651	1.001316667	neg													13560.64125	14570.26223	15121.40079	14724.52545	14715.31096	12594.04998	14433.99411	13172.96077	13535.04826	15521.19523	16057.86137	13417.60187	12934.13917	13906.28025	14444.92055	15288.77334	14775.40555	14690.77597	14030.96952
1.00_344.9585m/z	344.9584508	1.001316667	neg													4037.796875	4164.619459	3629.025652	3911.93713	4274.245077	3907.095238	4241.052992	3692.732394	3406.137104	3630.620105	4620.545941	3889.520094	3504.752208	3681.173031	3563.6285	4044.564235	4546.529851	4131.205539	3966.264469
1.00_352.9037m/z	352.9037015	1.001316667	neg													557.1100143	602.8114243	631.5004057	780.3087828	473.5324096	385.2757193	654.7762847	628.6647071	460.0608654	554.6263195	662.8976741	669.8942428	407.1829297	579.5950864	422.3801347	735.175967	514.4530731	748.2849312	460.4056757
1.00_357.9235m/z	357.92352	1.001316667	neg													1653.257457	1824.028886	1984.93878	765.3805316	1139.60282	883.8460804	927.7185585	3364.431929	4145.767093	2788.901306	747.7434343	1561.57976	880.0738554	897.8494198	784.7379209	1116.936806	1161.744243	1016.617103	473.7232618
1.00_360.9744m/z	360.9743757	1.001316667	neg													9622.044628	11914.98828	10694.56339	11951.73888	12429.98987	11232.17629	10774.85377	9765.465871	11798.47806	12028.34624	13648.31686	9938.623572	9852.198002	10635.37102	11108.4017	11559.37225	11573.81028	12168.58466	10945.01979
1.00_365.9273m/z	365.9272714	1.001316667	neg													1276.350341	1210.518601	1338.406275	1384.086301	1310.627176	1249.829981	1013.696454	928.826215	1319.678794	1248.491345	1359.826716	1387.602526	1158.238777	1800.760836	1244.62547	1488.711996	1704.257264	1347.000956	1297.092644
1.00_367.9060m/z	367.9060113	1.001316667	neg													3668.84015	3751.670369	3797.561765	4088.621132	3804.972022	4194.198198	3795.531468	3070.699886	3717.831978	3835.801839	4155.819964	3738.062663	3693.384883	4008.312511	3502.261123	4051.739317	3996.663699	3941.222262	4557.331547
1.00_375.8876m/z	375.8876146	1.001316667	neg													1169.697792	1250.093661	984.147068	1206.875503	1235.471671	1027.48549	1193.803558	607.6083742	789.4118704	1136.049724	1538.522224	1143.162624	1268.377702	1112.464135	1003.396592	1254.477932	1027.453262	1327.942637	1162.173912
1.00_376.8948m/z	376.8947762	1.001316667	neg													3215.170841	3074.331019	3605.861071	2699.327267	2903.277392	3387.555844	3001.752914	2380.293543	2800.032731	3058.884045	2860.211424	2957.337927	3857.707583	3747.975322	3179.058939	3057.303441	3465.190864	2832.015433	3147.240164
1.00_385.0363m/z	385.0363171	1.001316667	neg													265.8946215	326.4973684	360.8531672	176.7948165	341.1719621	227.7963328	342.3163167	367.4156148	222.9068159	231.4426083	188.6283184	220.7100227	0.000297236	216.5196561	240.9827839	310.6156986	236.1910028	79.67810215	159.7697013
1.00_405.0003m/z	405.0002703	1.001316667	neg													8962.386636	9824.918728	10389.35447	8324.520644	9591.619898	8795.776883	10228.59565	8109.82704	9157.30716	11044.04107	10414.29437	7723.737972	9811.062302	9056.602966	8718.217857	8735.846873	8885.168078	9212.798013	9352.268393
1.00_430.0382m/z	430.0382373	1.001316667	neg													2610.508754	3494.403024	3023.399907	1829.094482	3675.424276	3552.807373	4261.624856	2332.348231	2492.62322	3144.029525	3008.14644	3162.426777	3567.966445	3406.390917	2172.407032	3609.53069	3117.523335	1608.81518	2398.849948
1.00_444.8841m/z	444.8840886	1.001316667	neg													1799.671567	1600.164126	1361.101157	1933.817073	1976.685947	1685.593761	1873.719516	1460.388625	1533.71379	2204.759739	1889.425746	1910.091416	1727.724752	1478.530779	1855.165457	1726.947244	1959.365081	1555.506441	1726.837631
1.00_447.9793n	428.9614348	1.001316667	neg													5277.275541	6065.146554	5814.502333	6325.031534	7453.228907	6559.927513	7152.518238	4847.161608	6202.344627	7057.874326	6884.47827	5172.900077	5722.812955	6505.976604	5281.589298	6166.278694	6176.878674	5373.407347	5144.051057
1.00_452.0203m/z	452.0202787	1.001316667	neg													922.9439451	1663.613457	1466.598099	950.835639	2651.140986	1785.442571	2585.043466	1497.777083	2092.212899	1977.344107	1775.646449	1922.080148	1991.430667	1409.651728	1314.599955	1826.865691	1916.015013	1250.566043	1298.894865
1.00_472.9877m/z	472.9877494	1.001316667	neg													2646.979051	3360.714014	2985.09248	3072.335133	3190.99748	2974.804929	3460.907863	2566.999503	3267.877147	3282.1064	3409.876146	2540.807083	3026.687159	3274.167295	2947.910152	2876.360341	3043.187178	3197.50758	4014.279364
1.00_474.0644m/z	474.0644393	1.001316667	neg													1591.514045	1630.599619	1747.603823	1132.667123	2699.90417	2453.349223	2682.984655	1428.414483	2206.108115	2485.658298	1504.004779	1794.716398	2214.015619	1715.834094	2206.812039	1213.700047	1796.798142	972.3377811	1983.64975
1.00_496.9488m/z	496.9487928	1.001316667	neg													1977.397453	2491.479375	2616.108681	3015.317113	3110.951061	2113.897252	2701.642134	2296.470033	3113.041656	2768.454923	2839.133208	2025.775386	2045.609407	2379.406794	2389.417411	2648.483294	3132.828233	2304.36351	2187.547596
1.01_102.0134m/z	102.0133968	1.006716667	pos													1334.773283	1442.401663	1527.790481	1649.519086	1415.422819	1199.995093	1183.738434	1354.578233	1369.451362	1468.842336	1534.634021	1228.665291	1415.679401	1594.427291	1417.655945	1526.511435	1192.207581	1450.07426	1360.019226
1.01_120.0236m/z	120.0236497	1.006716667	pos													12973.13538	13663.08475	13844.53006	14191.96116	13815.57328	14546.34773	13368.97348	13577.89629	15538.4133	14851.62654	13972.7061	13380.12747	14880.43261	13086.24463	13351.50202	14139.13813	13997.33182	14550.98381	12411.1973
1.01_125.9612m/z	125.9611625	1.006716667	pos													2152.636498	2661.563379	2318.11796	2407.724145	2405.428479	1760.541348	1897.154015	2447.416806	2134.265786	2247.126485	2041.825935	2052.052515	2582.40244	2753.002632	2572.424529	2965.178273	2159.307311	2346.361352	1735.386827
1.01_134.1045m/z	134.1045123	1.006716667	pos													153.4335664	180.2997678	171.0823835	101.2393519	182.3520687	170.1376776	144.158516	115.439462	37.84035496	97.4307075	164.7632203	0.000297236	0.000297236	171.8931504	127.8011868	52.27964598	126.0838927	66.43023075	44.99300524
1.01_140.9512m/z	140.9511959	1.006716667	pos													12953.35556	12591.08524	13836.63491	14453.29777	12728.04847	12723.38651	12668.52213	13023.50379	13222.07676	13423.91379	13259.83637	13653.1749	14047.76937	12909.07749	15297.45856	14091.46647	13359.99536	14606.48111	12239.1592
1.01_148.1140m/z	148.1139843	1.006716667	pos													326.7521176	577.1304309	549.1474942	573.4115122	1017.115792	478.5360828	514.0711525	738.659648	305.3605638	816.3320003	459.3967881	290.1817107	720.8162452	629.6918895	477.2051683	510.4222982	384.2520651	463.8301773	388.8766852
1.01_148.9770m/z	148.9770406	1.006716667	pos													51205.90295	54324.72134	50642.01647	53865.03512	48973.59743	45341.24616	48344.28876	49276.39898	50961.48377	47464.52869	52444.90799	57145.39917	54953.24731	48623.36576	54999.6023	55368.27837	48979.4371	60720.12349	45334.36975
1.01_175.0812m/z	175.0812136	1.006716667	pos													266.8943296	154.2651901	262.8510017	114.3305673	284.134319	268.8719091	0.000297236	347.3458218	533.7403386	321.3709774	349.0264221	0.000297236	115.9534629	0.000297236	0.000297236	0.000297236	366.0319036	143.4415047	252.9511885
1.01_175.9646n	158.961285	1.006716667	pos													118981.2268	127629.0081	117113.9664	132366.146	124237.164	107303.0685	107527.5753	118023.3394	122195.369	118274.287	125004.0025	127691.5578	126449.5969	123808.3839	129903.2827	138990.5544	114971.9517	139089.9793	106438.4734
1.01_177.9672m/z	177.9672119	1.006716667	pos													3061.970008	2923.129465	3099.412674	3181.843236	3238.401175	2781.012969	3836.943221	2686.07747	3443.4193	3309.005163	2573.309765	2756.389336	3554.398053	3377.466709	3316.046226	2822.951796	3123.94182	2825.347397	2451.720114
1.01_182.9621m/z	182.9621043	1.006716667	pos													1668.09095	1724.287053	1811.224136	2218.524678	1730.616856	1646.675621	1684.960692	1918.526523	2002.271271	2058.287262	1819.91903	1698.164864	2222.048166	1877.493009	2101.625284	1886.370044	1854.582445	1943.220501	1708.969209
1.01_183.9327m/z	183.932655	1.006716667	pos													2312.21521	3063.958621	2598.761093	3163.487759	2920.772914	2178.681842	2801.253369	2184.011241	3125.041049	2885.304224	2547.769324	1539.885589	3132.984382	3066.270232	2806.025796	2685.198324	2303.56232	2760.904094	2375.492346
1.01_188.9784m/z	188.9784497	1.006716667	pos													4213.773909	4335.513577	3787.841369	3988.372734	4070.304545	4431.475106	4374.241119	4246.506905	5136.351318	3519.811093	4264.336789	4345.434925	5139.820436	4339.081828	5359.742658	4491.262764	4109.002775	4471.773214	3253.732148
1.01_202.9512m/z	202.9511692	1.006716667	pos													18829.9156	21257.8208	18936.75664	20982.33414	18318.08974	16551.11565	17623.11784	19107.53954	18851.6977	16526.11303	19007.10947	22495.35145	19988.71785	20000.28155	19947.10983	19340.73686	18320.71783	21743.43034	15745.87897
1.01_232.9802m/z	232.9801565	1.006716667	pos													148.2291304	109.431469	107.2537155	341.6105632	337.705156	320.5337399	125.0345376	0.000297236	261.4349977	107.8430593	0.000297236	260.3167932	0.000297236	252.7957707	0.000297236	0.000297236	363.8145446	152.0190506	111.9029843
1.01_234.9474m/z	234.947428	1.006716667	pos													1587.520155	2641.079541	1927.805817	2300.372137	2202.00038	1326.328291	1799.079018	1849.120576	1232.347022	1896.421311	1652.582927	811.0913225	2696.130585	2754.75528	3187.066961	1547.70322	2107.985521	1307.350282	1818.233767
1.02_102.9473m/z	102.9472886	1.022333333	neg													325.1967681	344.7387572	333.1861234	292.2107298	285.4452751	317.019586	352.9602985	204.7967092	212.1951307	286.1192344	354.9665611	277.9455349	295.617326	367.3877401	288.0965343	356.6455055	352.417604	243.0970361	318.6220887
1.02_136.9085m/z	136.9085422	1.022333333	neg													532.2402333	487.0854784	390.1087837	468.2096828	439.2212092	412.6233956	503.2351585	289.432859	244.5716492	362.7975628	551.2922104	499.8233029	400.2437093	517.9827257	444.50408	550.646894	473.9899597	445.6024567	388.4006327
1.02_159.0263m/z	159.02629	1.022333333	neg													878.8595895	893.1700808	754.9459719	858.7968993	1183.640902	770.7600841	783.3251641	1116.299418	1034.076205	868.0373845	1105.385987	759.6933763	562.6141572	1031.431981	998.5475516	939.1217748	776.2300236	864.5462241	812.5005186
1.02_159.8927m/z	159.8926619	1.022333333	neg													3273.495809	3120.597248	3171.852976	3473.412831	3348.269964	3363.716351	3174.824876	3057.160509	2688.283625	3326.90577	3613.996619	3049.302593	3267.69288	3451.254478	3098.098767	3353.832583	3426.078244	2569.677779	3169.113435
1.02_164.8943m/z	164.8943265	1.022333333	neg													2144.597083	2413.607013	2156.918448	2427.362297	2181.757248	2159.205458	2201.605056	2431.583845	2080.609232	2310.127654	2708.870969	2116.191717	2271.698729	2465.768835	2265.556432	2408.130273	2298.800345	2412.220057	2315.748372
1.02_170.8698m/z	170.8697775	1.022333333	neg													933.130845	795.6416083	736.6606846	829.3620962	763.010221	758.5835582	833.4463999	585.1687505	516.8928777	594.0381529	976.5696187	755.455598	753.2926013	942.8728796	787.4241123	1081.328588	863.4278225	835.7510625	536.0685657
1.02_173.1033m/z	173.1033341	1.022333333	neg													441.2064983	464.6727632	567.4098631	361.7411277	533.1944497	369.2531239	361.4520819	200.6572675	254.6767263	373.7447932	346.2901817	204.3108836	440.4994927	386.3353897	393.9851276	446.9968747	570.4907967	473.033487	537.9770864
1.02_174.9325m/z	174.9324906	1.022333333	neg													76.37921538	90.00718848	64.7792672	78.20214256	63.54592792	72.15559256	0.000297236	77.65985663	28.28282696	26.69051478	63.86565733	81.70460856	55.71986159	90.67989738	72.47718444	100.9274125	84.4624075	64.79490455	60.05787312
1.02_186.0179m/z	186.0179339	1.022333333	neg													711.7194801	793.038435	1121.396787	1595.642488	1711.329639	841.0073333	972.7639122	892.1768685	1393.912676	665.8929569	1303.386393	608.0347416	704.471169	1319.719434	536.1541922	510.6133676	763.7221724	683.6195027	958.4364148
1.02_190.8874m/z	190.8873641	1.022333333	neg													1134.956547	1021.369202	1004.462311	1104.821246	1067.271345	998.1234964	979.0038515	1090.154058	937.0874844	886.4997382	1274.87609	1089.434108	1017.123349	1098.5131	1104.1394	1229.645428	1146.446799	1157.377864	924.9956846
1.02_196.0467m/z	196.0467115	1.022333333	neg													722.4475938	728.5048571	605.0684452	1660.560431	665.6818931	558.7214944	1070.746493	486.9284635	1324.818255	453.0111038	1175.966754	451.6055403	609.2225113	953.3416636	312.1727569	489.0582121	377.9507373	479.6899751	169.5718988
1.02_205.9363m/z	205.9363408	1.022333333	neg													1388.587934	1087.923421	1131.831717	1444.322321	1243.366821	1016.00504	1282.028504	1121.674134	1156.741113	1473.780122	1209.633311	1200.244094	1271.413582	1455.637041	1182.939662	1363.784961	1447.509043	1372.800093	1345.704891
1.02_210.9154m/z	210.9154257	1.022333333	neg													444.6475454	556.1889752	437.5269311	703.4187965	637.8410829	453.9347678	345.1747904	528.7739026	339.1492749	722.9500148	534.0660948	848.4671958	455.259499	769.8764354	822.1035446	867.8351107	763.9734289	743.9092406	404.738107
1.02_218.0290m/z	218.0289735	1.022333333	neg													4238.878044	7449.791413	5356.481309	13097.94472	7055.850887	3408.252387	6046.081166	10575.444	17115.74632	4964.796258	10453.14852	8284.462491	4244.569726	6143.967298	3900.289248	4304.055287	2461.396867	7814.552886	3325.811903
1.02_235.0193m/z	235.0193304	1.022333333	neg													134.5511678	211.1834674	133.8303698	481.6244246	156.6266236	59.17317934	291.2984041	90.33256411	603.1984129	41.71113047	398.6225247	0.000297236	109.81286	205.9671484	54.57139794	47.01898761	0.000297236	119.307602	34.72758292
1.02_241.8918m/z	241.8917618	1.022333333	neg													1755.586446	1693.576917	1902.969481	1602.576451	1630.389132	1613.470532	1450.444577	989.6970943	1066.151345	1476.588416	1689.081199	1668.642267	1597.186612	1964.126526	1460.753465	1652.012319	1820.167691	1385.906565	1483.391766
1.02_242.8996m/z	242.8996375	1.022333333	neg													1524.351516	1408.470188	1570.549953	1365.105134	1277.604232	1500.269137	1365.32192	871.7618883	861.8682512	1369.482603	1534.265167	1291.378182	1289.067526	1604.432447	1353.912451	1489.940918	1779.132398	1085.005705	1338.393818
1.02_259.9103m/z	259.9102961	1.022333333	neg													2360.356823	2159.426193	2752.972471	2105.681672	2391.586609	2566.857135	2208.203281	2243.397714	1936.099658	2318.822732	2185.429448	2561.51823	2430.301276	2821.090304	2355.192819	2370.430619	2844.752136	2338.36361	2372.77213
1.02_261.9416m/z	261.941589	1.022333333	neg													688.2385313	746.6378739	750.0252914	310.8856449	412.0262349	181.8722067	228.1950663	2162.40992	2647.949874	1249.019817	204.0192989	660.1040724	442.5787632	485.3194462	114.5781024	353.2874422	582.1160519	231.9841083	288.38986
1.02_264.8724m/z	264.8724071	1.022333333	neg													1214.40584	900.247812	827.9115219	1071.823647	988.2936808	749.2234486	1079.634513	862.7905332	748.7627963	732.938431	1122.462498	1006.948532	969.7008439	1231.657452	1082.144472	1136.638596	1132.382106	736.1503225	688.2320986
1.02_264.8817m/z	264.8817086	1.022333333	neg													2363.128472	1991.513217	2253.700569	2487.715401	2170.13775	2074.923466	2025.745916	1567.005348	1640.36598	2219.269167	2503.59508	2351.790111	2150.795232	2429.784747	2088.996067	2351.428157	2257.779861	2269.766581	1764.878726
1.02_270.0010m/z	270.0010002	1.022333333	neg													442.3758664	450.9069411	328.3513794	1197.625182	381.7796341	265.868462	701.9811693	255.4479344	995.802002	49.53551715	818.6402398	0.000297236	431.8524576	451.9632587	65.75206356	201.7491361	117.5474802	354.4954156	0.000297236
1.02_295.9720m/z	295.9719878	1.022333333	neg													1008.376875	1031.320157	1158.345673	1995.483388	902.7896421	1313.585843	1432.159714	1011.284953	1845.020105	690.4969672	1624.179802	415.0777937	1349.939639	1567.964426	536.5622026	498.3603044	845.3500077	692.5812957	886.2966166
1.02_307.8561m/z	307.8560738	1.022333333	neg													2477.269206	2363.394529	2514.514804	2443.30631	2284.637014	2407.18383	2297.667901	1564.189777	1514.006364	2374.724294	2376.99252	2370.098483	2336.751609	2827.743897	2257.78822	2555.2456	2682.279731	1722.279435	1967.179101
1.02_309.8797m/z	309.8796813	1.022333333	neg													1647.722176	1456.891941	1550.638987	1508.791549	1592.783935	1317.61666	1404.975554	928.9817416	907.5065166	1176.708536	1401.434003	1649.513767	1569.315233	1792.803653	1459.39191	1824.251574	1597.755042	1372.613051	1111.256522
1.02_317.9870m/z	317.9870185	1.022333333	neg													413.5291151	416.9091432	305.7794284	355.1720621	297.1904966	557.6980938	272.7063121	1143.462081	2236.225474	631.1102113	259.4353325	923.1862561	210.3545463	359.9259943	371.0188377	361.6295768	517.6942645	268.4547241	464.3333956
1.02_318.9343m/z	318.9342669	1.022333333	neg													847.265763	926.4803748	756.6638759	1270.918915	1215.436088	1093.472209	1064.276895	599.8878512	491.9978923	851.544005	924.5749555	743.1078421	831.9953981	1218.796375	942.5417539	955.4001874	1130.123214	1338.916264	918.0977779
1.02_330.0433m/z	330.0433325	1.022333333	neg													1321.148136	1413.10747	1700.490821	3278.299266	1653.026348	1289.017884	2743.068898	1170.74541	4363.294928	1086.858274	3140.139775	429.8096113	1651.698567	2406.072786	623.3663117	665.0348211	789.8623064	1016.77614	595.3346132
1.02_332.8692m/z	332.8692078	1.022333333	neg													5710.942925	5780.342751	5731.771776	6193.764013	6127.178267	5407.119728	6014.259223	6077.570128	5196.230981	5299.082065	6727.183101	6419.937932	5720.094981	6128.486222	5541.563378	7221.843254	6311.365817	6362.574761	4199.921045
1.02_337.9886m/z	337.9886213	1.022333333	neg													913.3857472	661.5078941	993.186681	1880.43754	916.8049541	374.3987038	910.1893365	357.516578	1661.146668	206.5003332	1511.772118	2.230831031	714.9827044	1205.747775	194.0194294	371.4775573	88.18483578	575.0720394	315.1499434
1.02_369.9218m/z	369.9218152	1.022333333	neg													4346.775182	4503.902632	4018.847337	4059.162035	3898.100501	3841.89337	4519.983658	3026.397202	3279.523689	4617.342641	3806.741218	3875.401962	3413.982049	4188.674639	4180.318275	4252.601175	4235.062574	3196.816605	4173.039278
1.02_370.0292n	369.0219687	1.022333333	neg													8545.437379	8616.331485	10662.94548	3892.553544	12699.73049	11213.4338	14994.78553	11490.90266	10109.70366	15233.4664	9918.560921	6059.952608	9289.165446	7960.691813	9867.015797	8951.371288	10049.17484	7288.598069	6729.374462
1.02_370.9295m/z	370.9295263	1.022333333	neg													2229.451292	2159.537322	3067.461914	2113.219218	2108.325863	2537.321136	2917.919095	1501.785971	1591.21833	2554.79894	2789.718623	1995.800686	2349.272085	3297.029066	2089.625702	2159.437496	2947.490661	1228.006199	3175.141233
1.02_377.9644m/z	377.964416	1.022333333	neg													948.748357	1251.414236	1264.104992	1175.114842	1247.048196	1396.99858	1227.400179	697.2211837	1111.231788	1543.89255	1418.724893	1000.501112	916.3332338	1527.16661	1370.269664	1222.140529	1638.354197	957.4550729	1146.171469
1.02_385.9193m/z	385.9192763	1.022333333	neg													2385.909938	2610.380042	2162.038784	3563.368191	3251.430588	2677.659041	2334.636887	1313.195823	1516.229352	1730.244186	2435.023582	1976.079281	2003.814505	2736.719666	2377.30546	2365.720545	2722.381005	2704.569398	2892.509389
1.02_393.9190n	438.9170652	1.022333333	neg													8247.509308	8792.405369	8397.915616	8776.890769	9361.147712	7918.761927	9191.73395	6985.157448	7942.586512	8598.642409	9342.026815	8589.759949	7910.035338	8419.468348	8084.325546	8849.46926	9298.490103	8256.102081	7768.798814
1.02_400.8575m/z	400.8575319	1.022333333	neg													1376.587982	1851.233849	1356.044232	1793.572468	1737.733644	1106.272297	1482.037535	1315.050148	1456.319295	1460.914153	1710.381888	1542.895994	1524.469872	1712.506479	1547.208802	1991.706373	1556.809756	1759.84147	1041.491797
1.02_437.0082m/z	437.0082268	1.022333333	neg													3565.906266	2290.905748	2582.408813	1002.376975	3706.170592	3001.427472	6081.619416	5587.119169	5105.490959	4538.607006	2470.776452	1697.356165	6630.377867	1728.511005	1875.110134	4288.672311	2472.821821	2490.336558	2653.677058
1.02_445.0180m/z	445.0180414	1.022333333	neg													745.0553071	901.9000513	634.6024485	320.9247584	1801.267907	1119.075419	1513.247537	690.1398953	928.7283163	2017.561331	1041.810048	596.6100265	1142.874587	832.6047745	673.1818084	707.1145616	1007.958434	466.005326	536.0307472
1.02_459.0540m/z	459.0539575	1.022333333	neg													1595.234475	1540.944677	1639.081355	592.4446565	2917.179279	2797.829402	3231.862269	1330.977882	1603.70301	3984.973075	1196.864527	952.1825936	2013.677917	1200.802213	1912.375745	1299.078455	2138.492384	585.0380987	1866.897248
1.02_467.0006m/z	467.0005692	1.022333333	neg													654.3776262	868.2815939	1002.757343	287.0587765	1521.721082	767.7534876	1386.75687	709.2457902	333.3442338	1615.775189	901.0918141	524.6600515	948.9039544	886.1594619	550.0168285	578.5563886	1123.073502	382.125432	342.8976915
1.02_730.0900m/z	730.0899569	1.022333333	neg													3560.128982	3864.171041	3192.704619	5288.002958	6339.27019	5287.28203	5416.09633	2385.648957	2984.723912	5990.6079	4499.556275	2492.267698	3867.607997	3853.254714	5005.185003	4119.641485	5391.160003	4048.153986	3639.396508
1.03_107.9507m/z	107.9507499	1.026666667	pos													3781.136586	4852.378097	4139.647405	4785.881164	4194.326815	3681.804511	4071.522987	3794.294928	4280.324144	4155.641073	4518.899559	4080.070974	4696.997456	4877.489946	4593.301525	4480.563917	4077.387522	4251.803211	3904.006916
1.03_112.9562m/z	112.9562277	1.026666667	pos													753.6864408	1062.103706	778.8553375	1048.841954	1004.290912	691.0297514	766.3339116	827.7731109	772.7654572	1076.214435	707.8304759	663.3921087	1062.747424	983.6954063	910.6483734	774.8096909	855.0491857	758.3596104	840.2646514
1.03_130.9665m/z	130.9665061	1.026666667	pos													129157.8302	125170.1928	124967.3245	129086.5841	117677.5438	109062.5912	119865.4126	120931.8045	123701.9909	122052.0416	129814.4326	114889.4919	125716.972	131700.2222	135493.7636	129316.7949	125022.3913	140807.0482	109776.7557
1.03_139.9631m/z	139.9631231	1.026666667	pos													55398.19512	50771.96619	55078.99452	55993.70279	53911.41171	49592.02674	53272.68571	55758.1376	53228.85961	54220.03459	59663.64637	52736.32549	54392.23811	58121.72746	59636.81614	60103.87279	54073.13172	60943.29392	47644.43745
1.03_142.9618m/z	142.9618259	1.026666667	pos													8662.81645	9253.531851	9142.341463	10467.20716	9753.511468	8570.852278	10055.44434	8546.535904	8797.504268	9307.507449	10513.91296	7853.255839	9893.033779	8535.663134	10097.59105	9536.081769	9317.021058	9627.467466	8366.562986
1.03_156.9660m/z	156.9659549	1.026666667	pos													5400.552793	6349.871237	5406.935455	6688.276829	5855.070636	5434.622501	4645.700372	4898.010856	5564.676646	5630.825191	5968.316967	4953.777997	6370.626687	6263.781405	5843.827784	5847.779827	5096.988538	5910.47164	4576.615354
1.03_158.9618n	141.9584857	1.026666667	pos													1060528.403	1001313.851	1039972.839	1067757.368	998359.9276	964573.594	1013873.172	1028716.346	1007014.702	1027900.359	1094492.324	992056.7187	1061881.503	1060362.382	1129061.177	1103526.547	1024469.955	1147488.197	963635.9271
1.03_168.0090m/z	168.0090004	1.026666667	pos													7232.543831	6419.212489	5793.319131	7128.771829	6031.452009	5521.259621	4824.038987	5218.975073	4615.239244	4903.977249	8153.40363	6637.318194	7256.887897	7349.025821	8413.890989	8791.49508	5539.067473	7375.238507	5268.827243
1.03_175.0419m/z	175.04191	1.026666667	pos													1593.69031	1440.96587	1202.428395	2782.072999	1656.507451	1009.810721	2366.352199	1277.88072	2660.022936	703.9975943	1932.680094	452.8635485	1589.091484	1644.641453	438.0560067	541.4633345	747.9563772	1236.521863	412.5474218
1.03_181.1223m/z	181.122344	1.026666667	pos													7205.307893	7574.258284	7277.360246	7249.585037	7009.767689	7202.546796	7257.558641	6728.750644	7234.656484	7394.138129	7153.26518	7446.543627	8300.784332	6821.87469	7002.032849	6938.860257	6389.330405	6539.110697	6546.669885
1.03_183.9819m/z	183.9819479	1.026666667	pos													893.2217323	789.2958141	629.5888616	835.9910778	548.5242097	646.6553975	650.8183429	606.5387074	784.6248303	739.9580444	945.4428761	655.8290164	1029.025729	852.7567087	604.2989887	780.031136	574.8995119	914.3846107	565.4744787
1.03_191.0280m/z	191.0279851	1.026666667	pos													699.1527703	538.0158769	421.3432922	1218.394604	889.7779485	682.4517005	468.7540312	1073.497017	1045.27385	388.3139232	477.4420223	1455.630613	659.2934902	745.5800264	925.460948	660.1379428	820.6429231	457.2758726	823.6337149
1.03_210.9326m/z	210.9325833	1.026666667	pos													5407.13848	7228.088265	6048.081582	8066.713016	6902.392737	5447.414764	5443.516083	5330.142081	6237.819601	5843.117313	6171.528079	3373.732118	7602.978158	6931.817671	5888.09355	6600.270306	5958.253954	5990.661817	5455.588482
1.03_222.5036m/z	222.5035806	1.026666667	pos													1807.361427	1757.586764	1852.867828	790.3452825	2472.31855	1984.869272	2868.68399	1368.635878	1449.095171	3182.218852	1812.208443	931.2632313	2472.015637	1126.350478	2099.04017	2096.646856	2116.983582	524.9050745	1286.116185
1.03_286.9720m/z	286.9719975	1.026666667	pos													31301.63594	27611.4671	31743.33628	43493.09432	30734.60526	32702.30221	23969.59803	27133.65054	23190.02108	21174.90561	26245.11761	26297.44391	31371.04326	25805.48995	32663.76421	29128.60409	33261.60963	43133.91242	38518.4235
1.03_302.0986n	325.0878218	1.026666667	pos													19799.19469	16090.76473	19348.05154	46732.41928	12872.08068	34104.79626	21725.77422	36554.76255	75098.39786	18678.23244	24093.01764	12829.60438	18545.2279	15516.82444	5705.521904	14731.02124	1414.951734	13365.04092	378.5207433
1.03_309.9881m/z	309.9880677	1.026666667	pos													4764.667257	7361.534312	6649.432147	10487.93591	6970.407167	7057.218973	5159.190477	3418.045967	2932.720292	4847.313538	5779.429006	1758.475652	7859.672008	6596.546077	7597.333613	4672.920987	6303.431514	6175.12862	7634.848936
1.03_314.9670m/z	314.966966	1.026666667	pos													13935.40693	16436.17443	14752.96587	22159.96467	17173.48651	15438.87062	11375.42538	10001.66417	8357.271219	11475.32943	14083.42772	10470.16287	16285.44478	13303.34208	15749.31243	13755.5126	17014.06251	19485.51007	17165.27513
1.03_332.5615m/z	332.5615366	1.026666667	pos													26249.99826	29271.15426	23377.4669	33711.15673	27087.2462	32515.53936	25945.74698	13053.20946	14404.07824	34004.48025	24884.9033	17201.59086	28466.4701	23361.95829	36324.92203	25953.15288	26404.50743	26243.45482	27675.05568
1.03_359.5211m/z	359.5210974	1.026666667	pos													5331.160834	5449.871022	4823.803294	7510.601329	6599.760227	6459.502255	5843.317128	2486.56553	3697.109977	8285.509172	4696.36435	3103.988324	6678.054408	4927.315024	7152.450025	5345.182297	6095.756196	5037.075611	5533.336446
1.03_360.0226m/z	360.0226449	1.026666667	pos													1273.692793	1544.666015	1249.169525	1873.518977	1318.613649	1141.201239	1343.085864	551.7057383	893.1267118	2037.400945	1124.778477	0.000297236	1170.481912	829.8962513	1590.989944	1123.275474	1396.22422	654.8862664	1099.052606
1.04_144.0112m/z	144.011247	1.043083333	neg													179.250448	237.640637	229.6586806	231.294582	219.7288069	169.2371013	142.9249146	60.7424846	102.3309191	184.5688238	406.3922825	134.1646863	139.3693101	282.851778	381.2342233	251.1545165	210.6993614	200.4827289	264.1202497
1.04_158.0446m/z	158.0445721	1.043083333	neg													296.927378	418.1148537	285.404295	307.1754962	585.7602477	1044.468394	178.1341503	364.7360526	228.3514448	1003.728374	337.8050254	288.9600836	378.9772149	351.4698962	258.5104017	273.5132207	234.0745587	263.0795239	375.0350959
1.04_185.0675n	166.049707	1.043083333	neg													3994.761624	4963.04471	5082.671781	5686.617531	3918.335915	6240.132608	3191.327551	3970.02605	2779.208592	5509.226677	6563.154411	3156.143227	4827.194959	4286.715167	4528.825722	4358.986635	5352.380743	4546.030256	4518.955798
1.04_191.0356m/z	191.0356126	1.043083333	neg													2234.743841	2235.919826	2576.046982	1761.241683	2075.556573	2745.625192	2151.508797	1702.399762	1274.764872	3712.729958	1658.239604	1533.364735	2287.244965	2880.252159	2136.188544	2722.72604	3659.074664	1236.480282	2169.323119
1.04_211.9994m/z	211.9993534	1.043083333	neg													384.5417275	459.5707488	338.044796	586.4755934	470.7652716	429.6764304	271.9544949	415.4747546	435.1014112	463.3490715	531.6217099	469.114691	212.4012257	352.7131357	531.5002071	473.0235897	417.7199768	266.6464416	344.1968186
1.04_278.1243m/z	278.1243471	1.043083333	neg													6286.029176	6678.936901	4210.594137	6364.669043	5267.275995	3627.911983	5358.939264	10568.51202	8382.624499	6119.484387	4869.606149	6854.190433	4889.615522	4936.432259	4756.728499	6177.866157	4817.302176	5569.285911	6347.701478
1.04_301.0627m/z	301.0627423	1.043083333	neg													436.6060905	507.7734031	555.1125488	594.8751761	339.6143099	506.679585	317.9771898	122.9141203	234.4732596	413.1867073	889.834442	305.0974765	206.5140901	681.0020837	977.714822	609.4959005	604.3664465	386.2048647	831.5108036
1.04_334.0502n	315.0323208	1.043083333	neg													10902.65415	9673.208125	11296.34108	5878.41163	6956.872234	6778.044392	16372.53208	20533.56918	18174.2931	6065.285466	11959.05458	7220.006095	21271.54953	6539.698498	7017.230497	13478.09805	6381.141352	16439.95019	8869.551562
1.04_369.0506m/z	369.0506389	1.043083333	neg													1005.486263	884.0166049	566.9137719	1390.316763	879.033666	913.2429681	357.1260506	267.985146	430.2176789	612.4174134	1281.247915	624.867434	499.842906	1332.145	1441.313941	1466.667118	748.8551359	877.1458589	537.6327792
1.04_385.0084m/z	385.0083508	1.043083333	neg													7329.968309	6089.652258	5286.42428	5775.845413	6067.587557	5142.221677	11435.65696	8431.872225	11954.03523	5656.055096	6212.905047	8831.342886	5980.078186	5914.902333	6981.602128	8892.091477	6205.702616	9459.212895	7702.527282
1.04_395.0218m/z	395.0217743	1.043083333	neg													1466.317376	1460.505708	1658.812088	1899.288801	1031.912044	1674.69194	981.1981729	1111.574564	829.3529756	1257.585318	2465.398361	1395.956225	1040.717695	2172.156703	2694.901099	2352.68208	1596.756373	1215.904686	2052.897302
1.04_429.0926m/z	429.0925605	1.043083333	neg													1977.760604	1983.04958	2091.058238	1778.274522	1943.978182	2768.829364	1328.21535	672.258455	769.8854231	2193.87976	3869.281004	1271.582854	1569.386314	3082.450538	3817.781021	2624.281766	2203.743429	1611.330069	3222.747302
1.04_454.0761m/z	454.0761237	1.043083333	neg													403.7800617	339.9859379	375.9122095	721.6796181	688.2054167	673.2962601	0.000297236	0.000297236	0.000297236	1115.68883	785.3832898	398.6329069	788.3719975	735.0073701	479.3171037	156.9800335	413.8807028	0.000297236	727.0390785
1.04_463.0094m/z	463.0094065	1.043083333	neg													1081.345223	883.9526599	627.2158648	1229.929093	1143.586274	986.4465543	462.3795731	415.8978011	378.1116594	633.5676678	1312.024101	804.7607197	521.6728987	1204.442696	1645.977053	1494.857066	1120.303904	818.0631737	973.8485306
1.04_489.0565m/z	489.0564682	1.043083333	neg													471.441228	445.4519842	448.1784821	676.0237431	1057.304238	625.0005684	0.000297236	0.000297236	0.000297236	995.0753273	722.2614914	368.6721349	842.2733434	907.7565474	597.3716704	248.3449209	479.7327007	0.000297236	1084.749777
1.04_497.0804m/z	497.0803603	1.043083333	neg													1115.932262	1205.27487	1111.345265	3340.87636	722.7331513	1867.884965	2930.946186	4584.719496	1544.150599	1247.465634	3109.651824	766.9074775	699.444879	1791.96878	5286.481668	1471.056833	1202.900218	4625.658998	1323.077215
1.05_118.9428m/z	118.9427671	1.0453	pos													5150.476014	6208.392589	5312.121177	5408.591209	5209.005062	5117.89997	5644.557961	5728.93397	5739.668281	5346.619703	7039.930286	5035.672134	5261.958905	5157.835034	5355.753589	6598.734343	5166.641677	6158.977468	5471.108097
1.05_163.0573m/z	163.0573254	1.0453	pos													4691.489766	5223.338925	5281.889986	3585.065897	4876.311983	7857.192256	3059.509868	3519.441004	4049.333683	6802.629037	3696.196142	4473.026767	5180.543229	6946.482255	4898.881584	4670.503239	5252.152247	4535.202922	5983.399994
1.05_177.5468m/z	177.5468378	1.0453	pos													30890.8545	38604.26281	33406.919	29108.08426	35707.48551	46746.16766	21306.59821	29622.06797	29198.71333	43452.21436	26005.01484	32451.68727	40535.13945	45262.20647	34535.4967	40857.56208	27879.55838	33544.7767	33818.9192
1.05_178.0486m/z	178.0486469	1.0453	pos													4066.851126	4487.212538	3776.667938	3620.493647	4353.224486	6427.662058	2597.337419	3862.387199	3718.212339	6333.137427	3930.413535	4222.045459	4334.556059	5217.048636	4395.378289	4226.218961	3376.806499	2899.733536	3593.359563
1.05_186.0601m/z	186.0600839	1.0453	pos													53776.95419	64145.73097	62593.34252	50912.291	67242.99105	91609.50688	40742.24218	47815.97883	51392.25253	74844.30028	45056.74725	57635.79287	70974.2848	72316.96842	60612.8417	65109.06066	56316.1429	62045.78787	56482.42846
1.05_186.5619m/z	186.5619485	1.0453	pos													6961.385252	8778.340579	7540.967568	5648.911781	7745.540135	12400.24303	4604.572577	6286.2072	7947.503499	9127.149859	6164.188976	7368.488367	7757.252876	8894.014505	7206.744562	10357.66971	6831.782772	7404.343376	8603.243955
1.05_207.0960m/z	207.0960173	1.0453	pos													47621.85435	56313.07051	57142.32386	48956.79975	37639.11067	58432.43298	46295.0788	33932.00608	38287.06942	41505.50204	74207.83714	38089.62289	55166.73859	64188.08064	78707.12696	69121.32652	51689.00379	47682.848	62516.82826
1.05_280.1387m/z	280.1387123	1.0453	pos													44191.83055	46682.4354	47450.79075	51010.48703	47765.21846	38204.6405	36844.26415	68471.66441	70705.25044	38519.95981	40432.18703	69534.1695	32867.34754	42379.41385	44401.93493	46215.64304	38946.58709	43818.89825	48534.34495
1.05_283.6360m/z	283.6359665	1.0453	pos													2226.103828	2229.23529	2675.196555	2126.558373	2455.431284	2234.462602	627.5984897	3374.553941	2169.948647	2903.027238	2288.784067	4026.512923	2141.201576	2110.436659	1495.429401	1864.1438	2762.757751	2129.46967	2855.604881
1.05_334.5124m/z	334.5124038	1.0453	pos													2088.161622	2043.065041	3245.907959	1978.121308	8053.80437	2972.236825	3895.809763	6485.709032	3694.68564	3268.535452	3128.30912	0.000297236	1480.444802	2282.51007	801.567262	860.1052487	4111.788108	1454.706755	1514.401947
1.06_106.0489m/z	106.0489205	1.062216667	pos													1543.891667	1671.082825	1496.766323	1789.626185	1594.256193	1480.04267	1472.105249	1425.526426	169.9037659	1285.476927	1844.200538	1283.022909	1651.318694	1431.602478	2358.979379	1424.785569	1537.536345	1285.913688	1826.508243
1.06_108.0187m/z	108.018744	1.063433333	neg													4512.654495	5258.917089	4621.705082	4401.482819	4756.151139	5831.38429	3599.825494	3709.094032	2668.674736	5039.916661	3951.933066	6563.285248	4420.435932	4309.332861	5728.796665	5349.032099	5897.417775	3595.559781	4941.777457
1.06_111.0185m/z	111.0184624	1.063433333	neg													85716.35989	89363.0413	89044.32678	82889.15204	80334.53	97726.18214	88735.18543	104771.3684	101611.1124	80378.28851	91342.8431	94729.68267	98945.45919	87314.14882	92281.30032	108553.5445	90105.01105	100522.4353	90430.96254
1.06_119.0334m/z	119.0334425	1.063433333	neg													4800.480121	5191.079659	3968.943832	3684.777705	4022.260056	2850.430862	4746.075837	11173.50147	9968.172099	2551.400081	3626.545884	7177.351143	5691.039454	3242.242311	2218.157345	3559.095119	2880.965222	4857.803243	3762.742248
1.06_129.0372m/z	129.0372125	1.063433333	neg													14384.59419	16191.60228	13913.75982	14309.83463	18164.90468	21269.38435	14598.78919	13162.58088	14397.79635	19857.65608	13987.00179	19293.02877	15312.56527	15255.14304	17502.2118	18815.93955	14893.90639	15992.9471	13306.99382
1.06_129.0412n	128.0338816	1.063433333	neg													281206.6859	293122.7989	261421.2262	271116.6042	307130.7134	374369.5263	263200.0248	233927.2818	253542.9206	335275.2335	262343.4605	367021.1528	292920.1508	272150.2749	294451.2301	327434.7774	280706.0474	279578.3611	235641.9039
1.06_138.0426m/z	138.0426379	1.062216667	pos													94479.31376	99024.8327	91475.84921	93314.34673	92372.56568	87983.96582	80813.66443	94376.90483	97735.85492	86109.43311	82792.43322	108067.7585	92563.09015	94525.24292	102666.1454	105103.8152	91721.33534	88231.93784	96851.24527
1.06_145.0129m/z	145.0128923	1.063433333	neg													8052.294443	7760.100492	7695.65554	10637.71834	10190.46772	9716.487816	7447.044068	7720.796626	6530.786386	7561.212138	7717.661926	11291.29555	8030.655184	6920.02708	7908.381377	8972.285855	9106.154928	10333.39958	9650.406102
1.06_148.0357n	147.0285585	1.063433333	neg													91451.67548	99613.33417	86162.57999	79708.85151	61474.89815	95036.3961	111387.2542	106335.3269	130922.8591	115420.2785	90915.09961	95408.60684	125505.9813	120847.7164	81890.36276	71542.15869	71647.48066	63662.74571	92134.51784
1.06_148.0426m/z	148.0426134	1.063433333	neg													55843.91956	53140.39199	54421.82958	70789.60793	55236.16825	54769.55496	63816.51652	49409.64183	64213.55831	44283.63126	70471.6215	43257.23574	62180.1401	57525.09498	48833.51778	56948.52513	46247.25722	62555.53437	55399.07274
1.06_154.0439m/z	154.0438714	1.062216667	pos													18525.03024	18534.18571	24472.61348	17999.98001	22903.41049	21699.58719	16960.86727	18520.84101	19067.10626	18006.25539	17341.33444	29482.72519	19125.52767	19978.58712	25066.22219	26466.44373	27977.11789	20683.36395	25195.81986
1.06_167.0565n	168.0652782	1.062216667	pos													19321.11399	16700.14685	15235.05665	15169.47922	14744.89707	20021.43918	12647.28846	13762.22583	18072.18171	19160.38434	17684.43939	19306.67566	13359.78213	18358.24366	13483.85244	18874.54515	15625.81445	16065.06825	15125.9606
1.06_168.0231m/z	168.0230839	1.063433333	neg													6020.441778	5834.09498	5330.008524	3783.368849	6085.644546	6440.054506	3501.113195	8636.027305	6271.949767	5458.123879	2720.298827	13208.25609	3549.23768	2646.343437	6070.177297	3702.257834	6226.737633	6443.029881	5611.330734
1.06_171.0459n	152.0280566	1.063433333	neg													129865.1647	131955.5211	117770.1461	119318.6057	126994.5725	147696.8826	117203.5596	127878.992	119326.4203	127306.5273	112246.9746	161293.4703	126631.6229	115470.9887	131604.1088	131551.6418	127340.0779	145174.9244	138222.9891
1.06_174.1600m/z	174.1599869	1.062216667	pos													13282.42179	14347.62486	14282.18063	10644.5946	10768.93995	11133.98058	13658.09864	9109.533717	10717.87243	8702.316023	8799.791312	2868.151838	8398.837806	39479.48043	12298.68085	11994.21973	8903.171842	9469.458902	8849.900191
1.06_180.0622n	225.061954	1.063433333	neg													206305.4167	221407.4284	185862.669	187108.5558	199251.31	234502.9891	259637.9073	208326.5067	218612.3804	200577.4937	193953.3189	171111.9388	204910.2832	185948.1225	229079.1235	248403.5973	233739.4086	229779.1327	186794.2496
1.06_186.0445m/z	186.0445067	1.063433333	neg													169348.4036	168585.3321	146314.6091	142320.4107	166420.0555	191506.8992	186413.9899	143934.0591	154332.7935	187853.1679	140465.97	185680.6421	166024.312	145543.3744	170854.5543	175390.7203	155027.7328	168964.3527	177249.04
1.06_189.0447m/z	189.0447469	1.063433333	neg													7220.453302	6015.222948	5191.144979	4193.460635	5358.880686	7681.995896	6463.432207	5441.328762	6890.716021	6033.252073	4112.897263	6304.408197	6613.811862	6092.393353	6051.683927	6416.764329	5150.387259	8194.527169	6577.206384
1.06_193.5696m/z	193.5695663	1.062216667	pos													12124.9261	13018.76474	13169.37279	11135.59728	16960.49709	9636.734614	16979.85413	7689.400369	9610.525891	13090.34322	15432.6029	4034.594394	13765.92955	13113.62085	16590.7143	13528.44227	13857.65279	8261.878975	17063.26598
1.06_196.0216m/z	196.0216409	1.063433333	neg													14569.38924	14504.75656	10663.92612	12448.75057	14699.20146	15673.13243	13802.91923	13595.31581	13456.89519	15444.04286	14722.41917	16160.03026	13592.72842	12493.35664	12886.61901	15784.25313	11913.28818	13954.06162	10137.24634
1.06_196.0568n	241.0573001	1.063433333	neg													102320.2977	109288.527	96741.53674	89424.41304	86018.62636	104201.3892	112087.9741	112081.1554	131866.1738	99432.25396	86044.25916	102085.7405	113050.4554	100700.7667	101053.2014	94265.60394	98839.51775	87375.86507	102936.4572
1.06_201.0504m/z	201.0503856	1.063433333	neg													4430.139233	4679.097108	3822.188509	5205.866141	5139.552039	5006.854404	5050.195647	5465.805555	5062.599336	3601.570267	3407.253876	4390.597165	6332.901365	3982.149793	5146.864261	6541.740045	5873.032245	5697.580669	5052.008689
1.06_203.0176m/z	203.0176062	1.063433333	neg													9548.334702	9138.384784	11668.51312	8053.434378	7226.809823	7105.033398	10314.9001	13759.61138	11058.93511	7859.020777	16515.41283	7088.277786	12494.29245	8072.674467	7025.413547	10436.23914	7907.103207	10335.86643	10081.87709
1.06_223.1553n	262.1219589	1.062216667	pos													42358.73782	48451.39763	44396.68272	35934.59862	62167.45199	34833.94009	58512.85928	22245.73901	34415.24258	47107.10089	51502.62446	6717.104427	64007.28104	61304.79744	84463.43254	57715.40366	45909.79229	22759.87455	42263.4944
1.06_226.0819m/z	226.0818912	1.062216667	pos													54566.39296	56426.25192	54836.83684	62642.02474	57519.28371	51730.48663	51463.82319	32060.77832	45159.80617	51334.65944	59342.11775	48146.15372	61074.2368	65684.33321	74796.86347	66242.04242	61816.56355	57533.25577	58170.06897
1.06_231.9146m/z	231.9145813	1.063433333	neg													12371.55493	11102.75767	13207.54542	9053.306404	11933.68382	13362.766	14308.84141	10315.16431	11352.11817	14120.56683	9963.665936	10646.75782	10835.09185	9302.158806	12737.79191	13771.21154	11421.46199	12570.72333	13137.78574
1.06_233.0074m/z	233.0074367	1.063433333	neg													6560.716088	6180.679165	6504.573063	6494.006509	6056.009279	7321.854767	6115.464908	9203.57649	7100.270179	4531.636397	5750.788056	6824.860113	7101.621871	4808.461786	4977.559226	9064.025737	4728.783531	9104.449215	7386.130971
1.06_234.9140m/z	234.9140202	1.063433333	neg													9019.440649	8876.372904	8615.693586	8617.064572	8486.883577	9563.405957	9644.028422	8583.604476	9166.869287	9229.649235	7860.012774	9693.727952	9343.239407	7753.77019	9559.807657	8775.286817	9182.300727	9811.042709	8342.088481
1.06_236.9701m/z	236.9700581	1.062216667	pos													30757.09204	30443.87211	31834.13682	32942.16297	28363.49677	29125.0924	31663.36046	26099.96423	22658.19817	29566.93127	34188.02927	25751.31939	30837.06961	29759.25519	36266.74328	37809.09382	37603.97627	28497.39338	35319.66665
1.06_245.0469m/z	245.0469158	1.063433333	neg													5155.716731	4902.683569	3176.284187	3629.837539	1643.314925	4326.318373	6988.721477	5385.538759	5006.397194	5729.475191	3058.038726	5756.789091	6364.453229	5095.497569	4138.146286	3313.089888	2985.814524	1343.984229	5311.454195
1.06_245.1139m/z	245.1138503	1.063433333	neg													8175.071752	7605.360244	7327.454965	3567.774446	13067.61236	6395.258884	10138.63908	1264.281279	1808.665406	12223.57087	7115.478089	2004.820032	10199.79641	12225.42747	11510.89222	11406.34586	10369.18774	3055.568783	9828.12378
1.06_248.1136m/z	248.1135746	1.063433333	neg													12521.33678	11536.39801	7790.534179	11932.78796	7992.37203	13471.24422	10521.50727	11069.40562	11673.97871	12299.45625	11547.35586	11689.51537	11472.78105	9326.912666	11326.84276	14457.27397	11804.81667	17380.61734	12374.48854
1.06_248.6051m/z	248.6051226	1.062216667	pos													231771.9186	235588.6103	248234.7404	240385.5285	394788.1928	360501.4925	228711.2322	88661.28012	114622.9716	299825.3558	273381.0697	308723.9596	227916.7048	194464.697	213300.2614	245788.4946	272978.5396	260987.5421	178688.0045
1.06_249.0022m/z	249.0022379	1.063433333	neg													19337.99852	18572.33682	14555.69973	15757.67678	17387.68394	20268.61493	14332.54994	19034.95415	17410.25446	16811.83058	14791.63195	22630.24934	17059.3394	16196.66833	20928.87954	23272.92957	20218.30815	23075.79688	15798.78302
1.06_249.1209n	250.128101	1.062216667	pos													112832.8518	122445.444	116401.7325	143947.3156	86270.74568	127279.8205	81017.41374	114328.2714	116708.6404	103211.6113	103729.4544	130380.3958	110380.5524	105482.3841	147623.4906	133686.724	114237.0369	145969.9399	121980.8021
1.06_258.1079m/z	258.1079267	1.062216667	pos													31402.99124	27119.86445	30283.53499	26575.58655	46109.75516	25911.41798	12667.67505	29249.70109	26510.26097	21094.6036	16689.81669	37459.00146	24833.51112	20549.43882	28368.53756	37353.40502	30550.34057	26043.91779	26087.08824
1.06_264.0471n	263.0398229	1.063433333	neg													100824.3811	106213.2212	90518.93659	80300.93625	93955.14287	105548.4862	119647.6759	117637.4104	110005.7771	92673.05353	82078.12657	92372.07242	110709.8382	83921.93495	111340.4108	126396.9739	106733.2193	136015.8533	98066.34607
1.06_270.9847m/z	270.984668	1.063433333	neg													7779.475469	6790.481321	5348.06789	4833.317052	6071.295885	7319.976652	6904.792863	6810.857532	6580.685026	5124.489888	5736.137432	9039.626125	8580.297066	6525.78657	5780.908775	9282.66678	6405.197279	10605.73692	4556.365952
1.06_284.0820m/z	284.0820432	1.063433333	neg													9201.365573	12148.71045	8724.854367	7755.779911	7914.374882	10016.11999	13257.34497	9901.119903	10095.39763	7901.022508	8200.697076	6335.924847	12005.7724	8669.562775	9496.363011	14132.45534	10162.42731	13972.11909	7578.869957
1.06_286.0963m/z	286.0963495	1.062216667	pos													769329.9153	839122.0754	701166.1158	869692.8599	785101.2911	660420.1985	645375.5155	625017.7215	606456.5297	689572.9547	688781.0432	862869.6353	866096.0326	814208.7571	956642.0465	917289.1463	717779.9521	802675.1926	793379.5106
1.06_289.1028m/z	289.1027725	1.062216667	pos													23002.27801	22512.30697	14884.69184	22246.47763	21346.618	21135.74414	19941.31665	9072.525105	20726.72298	26517.1623	22523.8425	16321.81971	12968.73584	17202.41025	12313.77314	22514.85421	11262.69409	16297.80212	16116.60189
1.06_303.1425n	286.1391942	1.062216667	pos													29549.0861	33557.07299	33963.8992	21467.23617	27177.13002	42872.68473	24445.84771	30012.61241	40527.93933	34971.77257	26036.2492	74349.8948	29089.56249	36357.98565	19402.8814	22049.94375	22546.37357	21824.9112	34938.10186
1.06_313.0518m/z	313.051812	1.062216667	pos													7850.065633	6354.183296	9892.289848	782.4973857	7891.851161	14902.736	4058.237201	1912.375377	7931.449475	12497.40937	2197.180524	5121.482964	7623.869916	7904.483679	9907.783523	6342.217946	10402.65729	672.2254047	10390.64128
1.06_315.5051m/z	315.5050757	1.062216667	pos													6642.665401	6459.304386	10087.61839	13921.78046	7717.561218	10632.81547	3278.888285	11598.07286	9583.34031	3132.636728	4719.835215	9576.63975	4292.321182	6831.242059	11772.46828	6548.371947	9820.000683	7442.269795	4991.27096
1.06_323.1575n	306.1542526	1.062216667	pos													83223.25958	70725.91997	87616.61624	73586.12476	106966.7954	105820.3092	63533.93112	197517.8935	141572.3581	77608.84523	45629.71818	54433.35864	71372.37384	74821.58332	69565.60325	70887.90847	46652.31434	59065.66082	86687.32446
1.06_341.0385m/z	341.0385346	1.063433333	neg													93549.91624	103786.0565	98909.43084	106366.7016	98478.36926	92343.65185	104014.5946	138477.4027	173060.8708	94123.44051	101984.2134	132485.314	90718.98808	93338.596	91104.37439	94297.95631	91118.14446	97974.36058	98942.82368
1.06_350.1804m/z	350.1803967	1.062216667	pos													26815.51904	28409.26459	25760.25628	11279.74203	30804.27736	29833.379	9479.627103	103296.9098	76061.06086	20789.69787	8778.179526	15292.65017	21081.04803	10577.03528	18617.44057	16071.61955	15581.35839	4328.315988	20088.3073
1.06_356.0669m/z	356.0668744	1.063433333	neg													21459.77146	14080.98399	16732.14307	7518.923717	9546.605356	17657.91426	2767.233296	29761.49171	31400.06232	11877.82705	9418.070273	41524.89356	12959.43082	10685.2745	11130.7763	11295.2425	15601.4083	20750.85695	23997.96882
1.06_363.1045m/z	363.1045452	1.063433333	neg													14185.44846	12603.99041	14224.49523	13362.50476	11604.1746	6652.965654	15602.8546	24749.74194	36773.14805	5586.811498	10750.24906	21375.17577	15208.00499	10406.96357	6590.995516	5596.739038	5206.690712	9875.06938	8609.884842
1.06_379.1003m/z	379.1002764	1.063433333	neg													165230.2585	182205.4996	175675.1606	195366.8421	149058.1862	131977.6662	198894.3682	183337.8642	283727.2113	160605.5781	222510.1117	153354.5083	165679.7166	147627.4324	148180.5745	143361.9561	127898.3837	143747.2688	157871.4301
1.06_391.1223n	372.1044672	1.063433333	neg													1319067.684	1308666.491	1338187.218	1450053.384	1392831.56	1387349.777	1296689.255	1167599.275	1613471.105	1415472.077	1355030.077	1730862.107	1300478.803	1232798.961	1212471.511	1173591.518	1017738.819	1113070.096	1238792.175
1.06_393.1274n	392.1131713	1.063433333	neg													120929.9402	116909.5207	110322.9949	138520.1377	126311.3852	103196.6935	133480.0036	101818.3025	124822.6563	104134.3025	134874.7483	108722.197	118860.3786	110147.829	114749.4943	109726.6299	97667.24588	117427.0659	118103.309
1.06_411.0902m/z	411.0902299	1.063433333	neg													59327.98283	50914.2098	53566.32795	52207.27396	55905.28679	51051.77778	34233.35393	96666.38738	95336.21319	61635.88027	27237.26576	121537.1636	40512.9935	32717.207	44453.11743	28807.60284	41683.52357	47633.07704	67072.57444
1.06_417.0784m/z	417.0783522	1.063433333	neg													16881.31724	20780.62786	18699.67651	35663.63241	25969.85123	24980.77379	21224.57253	21433.68258	20021.00313	15025.67805	25718.72945	16239.95901	19802.68549	16717.05038	18382.03463	17169.01459	20984.15764	23578.08672	31571.19497
1.06_457.9739m/z	457.9739402	1.063433333	neg													23682.31898	25871.44659	19594.55029	18118.659	20598.0305	21160.08217	21441.83442	25722.30646	30842.91102	22713.48679	23865.3003	26464.90972	25991.92779	19540.1504	16550.65148	17135.09392	15065.50338	17445.88953	19200.98829
1.06_464.0976m/z	464.0975773	1.063433333	neg													9210.427463	10937.55952	7884.996826	7631.399145	7830.41221	4438.383916	5835.85303	15478.58879	17938.45248	8543.006824	4022.826812	11351.85408	3271.112174	3314.393875	1756.672364	7190.329696	4285.666699	8599.520543	6247.941044
1.06_492.1830m/z	492.1830223	1.063433333	neg													12037.02018	18147.00239	11500.245	19429.11948	8082.177419	12654.46635	7490.614753	14823.91553	13734.4066	9715.033753	15413.85289	12330.13837	14179.21358	12838.19843	13075.65813	11100.98699	10740.65551	11118.49717	18046.74621
1.06_506.1492n	551.1366517	1.063433333	neg													28971.80113	37560.99881	32667.41469	23626.94923	28952.45205	43890.7185	31240.88629	25855.45994	53718.96102	32521.57949	30227.44275	38504.76277	29352.47683	27296.12847	35959.50657	41816.87676	33443.16428	29928.38506	24770.43842
1.06_508.0769m/z	508.0768556	1.062216667	pos													72334.15958	50312.31064	61405.5521	64240.83867	53458.30266	65382.51769	63653.42268	50917.49018	42431.05653	66103.64033	77136.62182	29871.20363	63890.21034	48350.62069	62084.77743	71343.86392	69423.3549	64469.79852	70755.50354
1.06_516.1707m/z	516.170708	1.063433333	neg													40656.22216	45130.02045	36568.44193	38622.67494	66641.92305	69011.03222	40607.19421	12676.72844	20975.84542	62024.92927	46114.6598	55126.61138	37034.40986	34048.35243	28552.05351	42767.27084	45984.0784	44677.06489	34068.67089
1.06_538.1528m/z	538.1527834	1.063433333	neg													11098.91902	11694.92942	10358.91737	9632.285859	20418.33923	17253.85696	14866.24993	4140.399789	0.000297236	16206.97008	14708.97361	12731.44554	7379.607032	8550.505146	10576.77859	12243.47252	13455.73041	9084.179342	8656.114165
1.08_110.0232m/z	110.0231597	1.081483333	neg													1291.242142	1655.200425	1411.120008	1614.629339	1347.662706	1835.091295	2086.059733	1784.940651	2273.781593	1629.017023	1753.965951	1370.61458	1237.714607	1541.179951	1491.61485	1474.643366	1577.579928	1494.930657	1583.07917
1.08_126.0546m/z	126.0545876	1.081483333	neg													601.6606223	810.9283787	578.8684273	378.5820114	403.1625773	928.4553425	168.6653804	1036.302414	1107.885781	426.1974014	511.8009604	1396.556613	628.9373583	525.0399109	205.1790386	410.9439651	665.4953391	574.6203678	797.6328085
1.08_160.0602m/z	160.0602284	1.081483333	neg													24174.30429	28035.64132	26718.5654	25753.72914	31140.11861	33612.58905	26703.57268	24751.44169	21103.03369	31144.32573	26010.14205	22140.10116	28004.2131	27238.551	24797.1507	27544.50411	28339.12013	28542.20788	31945.17097
1.08_169.0227n	214.0209056	1.081483333	neg													40933.82805	40614.45937	32929.02855	40341.5339	35504.8213	53676.34711	48901.65011	43513.20173	29448.9047	37719.14431	31970.68865	41744.24947	33151.28603	31221.59298	40444.72246	47053.72275	42641.15933	51705.90073	41890.34602
1.08_181.0728n	180.0654929	1.081483333	neg													249658.0769	333750.4017	322173.0378	294922.6602	330719.1986	390906.5232	373709.3762	299747.3549	276007.3453	351993.6911	308042.8848	275572.0697	355817.8062	331945.7947	325342.0797	392870.9427	355938.5008	352185.4988	378757.9872
1.08_182.1595m/z	182.1595399	1.079266667	pos													8634.507909	9342.590097	5150.347222	4383.935848	7320.821156	1216.780144	6428.085152	2169.957976	6142.98679	7994.661769	6127.052567	2219.416748	8930.274234	4861.155075	3901.617394	8557.648011	5302.659582	8040.78208	6897.968927
1.08_187.0713m/z	187.0712807	1.081483333	neg													1440.212912	1011.819042	922.2267981	254.199833	948.7171185	969.5181943	76.19502417	4595.666646	3009.57788	571.6632126	380.4405628	1076.804004	760.5785632	382.0474989	336.8730424	877.2283747	200.5044691	576.3547	434.5603569
1.08_192.9888m/z	192.9888072	1.081483333	neg													1797.713819	1853.304904	2269.151839	1045.221329	1107.475602	1565.764898	1648.65851	1596.941825	1511.423442	891.3139499	2206.9994	1418.280255	2368.646834	1425.635586	1217.016647	2685.805086	1593.260801	2277.582253	1601.321311
1.08_205.0406n	206.0478869	1.079266667	pos													245663.8108	312659.06	252950.3004	157015.4789	117982.3835	238814.3009	73686.1977	454181.2076	651197.4036	166918.6886	133252.5466	522342.3686	211585.9449	219677.0731	187620.1914	210458.1306	230846.8447	245553.2141	299181.1656
1.08_220.0642m/z	220.0642336	1.081483333	neg													843.1260473	691.8324249	769.2410101	446.6597966	922.154791	1993.06163	0.000297236	515.1196421	493.7924825	690.8124841	0.000297236	0.000297236	1209.891155	1181.260674	724.4136458	1180.77446	0.000297236	395.5491135	446.4561801
1.08_236.0032m/z	236.0032046	1.081483333	neg													5732.319938	5751.43783	4817.641961	3737.112473	4754.386717	6440.5111	7017.71852	7429.743033	7015.696348	4694.275167	4989.27826	4308.591805	8560.990768	5360.892415	5389.986219	8701.771285	4798.617359	8529.50668	5659.87927
1.08_238.0247m/z	238.024727	1.081483333	neg													8501.038116	11022.14786	10810.03011	11266.69035	11578.64904	11069.68996	13216.59707	10084.98027	7886.068572	12536.15941	13298.56749	8103.236393	13325.2389	13372.76822	10971.07606	13857.02656	11954.03822	11354.44027	11380.52422
1.08_248.0516n	247.044328	1.081483333	neg													29825.61313	27655.444	26821.47992	25000.83601	23019.7349	24993.79037	42868.46305	49192.18039	41480.75518	22295.86216	30522.28673	19679.33241	39968.57664	22573.27208	29772.21749	40832.58522	26024.33495	39709.6127	24485.92436
1.08_279.0387m/z	279.038723	1.081483333	neg													292890.2719	331515.3786	316050.3655	319085.7047	307060.5633	331225.5894	364338.9645	333487.1472	408189.8204	315843.8971	326864.0504	331564.4609	300651.274	318475.2042	288712.0069	303023.3362	280191.1986	306168.4085	312672.9654
1.08_280.0856m/z	280.0855912	1.081483333	neg													16061.93416	13373.10354	10922.04604	13668.42764	4571.962297	24596.28022	14058.30683	10916.82696	21143.26863	13878.33413	9500.900315	3636.130307	10280.44917	12017.60604	13511.8937	6588.746118	12922.71212	8187.548638	13479.11259
1.08_282.1002m/z	282.1001631	1.079266667	pos													86579.79799	92655.18861	80056.124	111731.5836	70642.04195	119531.3226	71338.94443	105065.8259	131510.2809	94744.03927	75702.6217	55930.71056	73666.07036	85659.54111	95851.8794	96999.25898	79737.35331	95443.22372	74826.5701
1.08_293.0874n	292.0801697	1.081483333	neg													60126.59533	66838.02371	64696.171	65991.08296	68257.74564	59496.09146	73783.85467	57201.95905	53670.98543	64171.36841	77105.97543	40237.72938	64064.49266	62113.84366	66991.29983	68025.89287	63979.31396	72963.80034	67359.65412
1.08_300.0252m/z	300.0251927	1.081483333	neg													21123.27163	24047.64901	23591.33027	19969.88261	22865.5264	24131.92627	24247.32579	19535.53037	14297.39065	22940.67796	23822.09522	19114.10194	25325.64521	25034.38205	22879.75609	25532.4881	26405.88397	26606.94929	23704.14471
1.08_302.0106m/z	302.0105829	1.081483333	neg													1367.672055	1257.525391	1686.595825	427.7844689	653.0369414	1063.491036	101.7121413	2804.843071	2845.613963	1504.966677	408.4721276	2539.074821	1596.025213	499.5012725	855.5283953	1062.709819	1138.443173	1716.956034	2073.132449
1.08_323.9920m/z	323.9919736	1.081483333	neg													2226.106308	2452.369858	1645.77645	2053.520552	1634.577633	3004.390835	1857.685828	3532.726877	4996.032758	2902.275191	2598.849001	3797.868216	3504.420823	3017.875494	3109.412982	2870.091773	2571.794542	3001.158985	2829.461257
1.08_341.0292m/z	341.0291984	1.081483333	neg													12183.21154	16869.12409	15462.80592	9855.78103	13376.1854	10488.79611	20582.71095	12837.74537	13184.66818	8130.194267	10443.84617	16141.66752	18417.09168	15874.68877	13182.27537	12833.02557	13160.51201	4619.270545	14912.0994
1.08_345.0011m/z	345.0010563	1.079266667	pos													32477.568	42313.08898	39231.40949	48941.60546	45305.8768	21023.1026	36931.81875	49980.68305	60094.36362	39288.49792	43036.37332	44690.56715	42307.24895	41825.03246	42699.86462	44783.66775	29224.24611	34567.85644	30639.00133
1.08_356.0832n	355.0759333	1.081483333	neg													13336.72533	12603.19332	11604.16813	12251.13812	11098.00104	10546.02544	18809.1324	17349.79143	23516.5563	11161.99315	16043.04065	12433.75461	11272.12534	9615.095798	11319.48106	14745.01487	8848.02764	13939.95955	12643.9608
1.08_360.9978m/z	360.9977586	1.081483333	neg													3571.314755	3112.20532	4533.718172	2214.75278	3650.994406	4182.542729	3497.520972	2605.177581	3498.137542	3154.689965	1418.43914	3222.168013	2845.450493	4160.789343	2915.698419	4056.971973	5017.428977	1616.670038	4384.484168
1.08_368.0766m/z	368.0765755	1.081483333	neg													6202.722667	8751.705347	7150.129196	6327.662984	9248.109899	9423.932143	6045.287681	11082.95672	12328.53307	3544.492664	4533.457822	6361.96352	6796.204216	3734.953672	4301.197128	5041.483156	3916.997553	3650.301249	4308.283073
1.08_369.0153m/z	369.0153151	1.081483333	neg													2889.609667	2019.836054	3273.434422	2881.031131	3780.594858	2245.855788	4872.161723	1769.267671	1583.647432	3575.254393	2606.786234	1307.348217	3023.235816	3759.713536	2339.822098	2829.528385	4883.712307	3651.552727	2444.963618
1.08_383.1224m/z	383.1223548	1.081483333	neg													234085.5703	357335.0548	348965.3824	266754.1761	346510.5302	415222.4887	423112.4133	253805.9698	207888.4046	349100.9577	300977.9764	240600.499	388838.8412	403130.8808	341520.4988	412602.7328	410009.6881	278266.5937	414999.2664
1.08_396.1012n	395.0952682	1.081483333	neg													730707.8227	759404.1974	704143.296	752850.6784	726502.6475	699209.3661	671183.3404	800387.0823	884473.0173	709991.9005	685425.3854	887511.1624	644603.4706	615978.49	713811.0295	643056.9441	636570.3458	699437.0543	822870.28
1.08_404.1307m/z	404.1307094	1.081483333	neg													89947.80039	116580.4824	120027.2736	101330.5261	117143.6701	128297.765	130644.0216	129712.359	122858.874	103710.553	99329.52971	99775.42151	129363.589	129501.9752	95554.57166	115045.8153	104678.6946	112551.4039	134238.3439
1.08_425.0919n	406.0740367	1.081483333	neg													21482.4747	23855.84233	17819.21874	19059.18498	18408.34246	14702.18114	15721.19201	27246.22435	35998.01057	15331.05548	20323.85186	21118.24541	16909.39106	14331.28487	18604.41377	17343.59164	16264.66616	19585.88028	22795.93274
1.08_429.0708m/z	429.0707894	1.081483333	neg													12866.74323	13224.60598	15116.19823	7450.099469	6623.38417	13993.13603	3882.024632	18628.19909	25760.56701	12521.03403	7018.261387	17876.08047	10090.47788	12013.59773	10646.00329	12915.40808	14687.1482	13168.5479	17100.50508
1.08_447.1253n	492.1234134	1.081483333	neg													17747.14559	26740.85935	21245.01331	19688.6662	19403.11844	27819.16951	39691.98209	29849.22411	44183.69269	18009.97262	24787.82192	27720.53687	16828.78283	20714.01814	19671.46953	28079.08737	25710.32689	18792.36186	22574.8499
1.08_461.0653m/z	461.0653126	1.081483333	neg													12750.54028	15080.22251	9416.639117	11026.19226	14549.18111	14833.94446	15074.18185	11990.01815	8512.813791	14466.50155	12797.05751	13309.5901	10055.5837	16911.60696	13549.49325	16390.04664	15962.12255	16996.82403	12559.30921
1.08_489.1112m/z	489.1112251	1.081483333	neg													18146.92969	17652.22372	13896.73877	19479.53946	20400.83071	16879.19874	14898.43413	11376.23324	10646.29136	19379.60701	17934.69045	15399.35125	18228.10674	14811.75372	18722.98071	17602.26374	17307.81578	12049.44661	13771.22823
1.08_505.0911m/z	505.0910509	1.081483333	neg													6851.198575	9103.071698	9596.930178	6616.651267	9129.201954	10921.30842	10635.94715	11416.76027	6208.408287	6507.176206	8834.282858	5776.54744	10724.09904	6673.993057	7999.997975	10155.38873	9366.213988	11593.22859	9174.163513
1.08_534.1468m/z	534.1467921	1.081483333	neg													13366.22471	18212.77673	11612.62254	15855.66543	15660.8159	15298.42014	12877.95951	7182.286256	6094.166288	17843.73683	8687.255903	12434.60185	15019.57228	13291.87464	13554.05766	15829.02336	13225.88174	11349.7927	14083.16551
1.08_541.1426m/z	541.1426313	1.081483333	neg													34552.24183	43552.31944	43349.50378	42871.4588	45217.7631	30599.08116	49281.64648	33188.1969	31273.87339	39433.89875	48402.86785	24632.38976	49204.49935	45912.45718	42687.74692	40094.74623	41145.27032	46570.01311	51734.81862
1.08_544.0995m/z	544.0994815	1.081483333	neg													9678.488612	8128.072064	7090.654289	6784.723193	8130.137686	6720.952554	6918.896206	9336.673507	11392.36668	7159.537969	4835.030072	15674.48549	10898.0245	7257.704949	8420.983483	5379.946884	7818.64447	4109.051319	8489.445451
1.08_586.1776m/z	586.1776257	1.081483333	neg													27588.87257	48483.05412	43465.30383	32641.98346	54303.00084	56531.92748	64013.50072	34466.80912	32683.51349	47378.08711	42413.72387	30008.9108	53099.94712	51346.78033	50639.92549	60758.56559	56133.60726	47253.32436	55003.82804
1.08_596.1335m/z	596.1335115	1.081483333	neg													28877.72131	49240.47772	42240.94187	34944.78153	42814.06713	42975.72229	52072.72	34212.68276	29752.39204	41007.51011	34517.71077	29744.12918	42093.51969	47192.07091	40507.03626	46444.1233	49352.98547	45933.69594	47760.52303
1.08_619.1225n	664.1198638	1.081483333	neg													12906.44262	14456.24198	13324.59298	8076.494285	15490.16012	12833.30021	14049.30869	8169.112707	7570.886392	10464.46734	9575.030914	6224.595085	15467.16206	16023.15806	12105.38514	14167.56945	21261.45625	13327.2647	15323.44684
1.10_120.0110m/z	120.0109723	1.098716667	neg													1189.32252	994.0804163	1192.992187	1224.026532	853.5570044	1296.143263	907.3350667	1344.225795	1096.154355	1116.66087	1134.688521	1188.379608	998.9723873	909.1581004	1284.978783	1318.901891	1523.459957	1359.803726	1407.685941
1.10_133.0492m/z	133.0491808	1.098716667	neg													1140.503357	1067.123736	1157.787262	1162.817042	1811.064548	2397.1232	763.6841586	1908.88728	1604.072591	2034.47428	701.6898904	1176.942413	803.6664271	865.0021961	806.1402426	792.9782507	927.8793826	914.2842497	986.442371
1.10_188.0553m/z	188.0553462	1.098716667	neg													3986.099835	5247.562885	4112.282876	6701.285014	3699.33561	7460.023839	4305.867023	4075.681317	6158.345869	7125.765588	4143.863449	4661.521933	5902.769968	4068.030224	4913.184022	2925.914913	3846.838751	3476.120377	5397.413487
1.10_191.9963m/z	191.9963281	1.098716667	neg													4150.110752	5037.499565	4991.998975	5649.479699	2892.664108	5926.963219	4583.720118	10309.99542	9637.273697	3911.433346	3361.900629	4462.219735	4881.252207	3847.266549	3396.510076	3193.372902	5441.640466	4524.228912	4313.080264
1.10_221.0053m/z	221.0053192	1.098716667	neg													76.56498694	58.49864986	105.9172593	151.8675802	64.77814083	106.4478137	61.65066771	133.4956886	111.2502688	49.42203195	146.1587297	114.2425694	107.244379	133.9745149	50.04976907	54.14505279	0.000297236	145.5692335	249.1356153
1.10_228.0484m/z	228.0483524	1.098716667	neg													2238.977756	2648.01548	3067.394045	2363.202929	2562.475079	2692.633345	2356.896118	2586.26935	2645.669339	2197.454342	2370.68506	2132.207842	3731.39242	3525.241581	2105.255613	2903.302684	2339.977035	2502.544598	2866.394423
1.10_248.0537m/z	248.0536678	1.098716667	neg													65434.32179	82401.13644	77439.60101	74034.13978	78752.03962	81662.7509	81969.35769	72398.102	69790.2148	84031.57097	81051.70192	69920.22855	81830.30781	82852.13037	82590.82833	87013.22102	88010.87868	78142.84552	79708.38798
1.10_266.0282m/z	266.0281694	1.098716667	neg													993.5671358	1053.285907	850.7895573	1199.588562	554.738155	1523.886404	565.1117627	812.1272105	1530.152434	1533.933553	730.5267623	1703.051171	522.2652351	781.5047507	1109.305228	655.3416237	753.4302615	736.248847	1000.865102
1.10_301.0231n	282.0052922	1.098716667	neg													6109.792451	7427.167554	7544.183875	7345.306842	7272.036156	7528.069064	6719.618812	9619.32513	11229.39344	6604.223561	7008.282163	7637.665377	6686.384169	8538.794275	7718.376885	6617.788265	6554.757765	6232.547352	6770.747671
1.10_312.0568n	357.0550024	1.098716667	neg													66673.4894	76455.01221	71731.97208	86564.71803	58055.90987	68503.0456	78253.47706	65872.49303	149961.487	55577.10537	107302.6774	68953.88983	60457.97056	64640.07174	60728.515	52783.47203	70010.76561	48797.50814	78004.77886
1.10_325.9969m/z	325.9968627	1.098716667	neg													8995.80759	11917.84694	10730.28591	10037.96516	12507.08791	12010.9311	11861.16732	10209.72586	10218.63883	13661.46755	11987.57901	10094.46773	11625.12108	13191.92276	13224.59121	12689.56452	13654.88052	11714.65337	11174.74746
1.10_327.0267m/z	327.0266685	1.098716667	neg													957.1808967	1426.707008	1039.815414	1183.10264	1377.863143	1456.587314	1443.406182	1024.123903	992.7656683	1377.793657	1189.547732	1287.419705	1182.393235	1311.744799	1149.372428	1066.05359	1381.418498	1215.087681	1242.634911
1.10_334.0391n	379.0370197	1.098716667	neg													5107.946697	9059.323267	6967.423585	9485.520511	7806.233742	7259.237944	9496.932219	8815.316794	12547.78271	8333.423446	9744.396099	7870.324806	8056.036099	8943.767556	8645.172983	8105.664842	8281.20257	6085.121545	7149.974206
1.10_343.9933m/z	343.9933088	1.0977	pos													3793.748936	4399.356219	2560.736491	5874.322922	5612.159975	2025.081815	2222.23332	4717.913138	6077.017545	3337.504241	6085.674406	886.7980639	4843.839235	4117.141253	5669.131711	4851.124839	2655.190397	2974.343233	5370.395224
1.10_343.9943n	342.9869746	1.098716667	neg													3403.856797	3685.656577	3452.747371	3033.265745	3032.00429	3314.329547	4216.00738	3491.602301	5960.082483	3349.849609	3461.081278	4751.70095	2570.192472	2484.778047	4269.755306	3833.224744	3051.480331	3297.804777	3022.177196
1.10_348.9860n	347.9787279	1.098716667	neg													3977.882341	5851.391552	5588.112949	5231.669386	4807.137991	4941.143852	5000.132179	5153.589783	4551.81294	5866.039385	6970.773342	2413.112203	7291.552011	5471.090475	5810.851757	5791.799254	5298.623128	5181.375211	6009.172319
1.10_359.0731m/z	359.0731234	1.098716667	neg													43984.02926	43493.25038	40323.32319	39718.06646	34285.60715	77362.41137	39221.86938	53949.31232	84103.96155	50271.06782	27372.13523	55035.43649	29668.66374	35844.38776	31263.10772	28230.273	41948.90579	30542.37822	77311.23445
1.10_368.9786m/z	368.9786136	1.098716667	neg													4349.188543	5379.050315	4806.747662	2985.672841	3972.677103	4536.612409	4383.855094	4297.649447	4001.937348	4334.461093	3651.706558	4689.113586	5411.778765	4963.99044	4799.659705	5926.785024	5852.729041	4860.765521	6382.817013
1.10_369.0109n	368.0123958	1.098716667	neg													2037.970193	2938.769553	2449.865394	2859.128506	2869.341012	2742.280019	2934.780608	3043.725625	2990.202041	3178.064605	2539.181864	2334.629995	2974.005496	3237.250572	3186.530738	3274.415544	2850.27667	1480.327205	2252.874047
1.10_370.0229m/z	370.0229411	1.098716667	neg													6352.277564	4324.670903	4901.320106	5589.998327	6476.443758	5064.383006	6895.026135	3971.791349	3776.18664	6163.153629	4131.678961	5886.62442	5933.870785	4967.439697	7826.519548	8600.00246	5600.571696	7223.173526	4504.814402
1.10_370.9945m/z	370.9945328	1.098716667	neg													1901.714228	2772.749954	2392.143533	2413.119273	2845.177046	3247.969526	2943.486043	2378.924589	2149.35055	3308.655882	3088.93153	2103.10608	2778.780579	2918.949031	2822.957824	3259.925962	3516.059271	2187.917675	2483.250551
1.10_384.0290m/z	384.029028	1.098716667	neg													4501.061033	7313.952436	7289.257645	6815.906562	6143.837077	5465.179775	7207.43579	6490.950807	5311.618817	7589.984368	9388.528457	4527.026713	8761.676289	8237.229389	7157.783095	8360.923507	5842.106155	6186.966179	6048.533675
1.10_386.0469m/z	386.0469084	1.098716667	neg													3006.396382	5456.535101	4380.982329	4832.127172	3965.198449	7234.417326	3737.412157	5105.044637	5548.756076	6349.384188	4608.04599	3459.661906	3937.045943	4218.616674	4637.255843	4032.318149	4299.776265	3724.004683	5870.189156
1.10_408.0288m/z	408.0287859	1.098716667	neg													1645.186862	2330.682004	2188.041075	2148.667408	1848.161585	1739.967366	1583.714373	4256.121775	4525.906821	1676.121544	2847.862458	3676.208692	2013.753499	2091.274275	2193.377172	1935.929973	2281.735574	1730.204153	2063.825689
1.10_416.9735n	415.966205	1.098716667	neg													1615.99744	2058.628786	2684.69907	2148.108137	2254.234894	3655.096642	2780.033448	3271.62366	1666.863393	2564.734839	3431.437927	1812.819739	3245.416587	2774.917173	2628.719437	3125.911255	4577.779178	2856.813948	2129.190141
1.10_428.0546m/z	428.0546043	1.098716667	neg													2724.766853	2672.742312	2333.252722	2788.669196	3037.095062	1803.378877	2559.361787	1230.869781	976.5163548	3098.5922	2530.454599	1686.735946	2323.222928	2277.778849	3208.246504	2558.72254	2367.541998	1171.676046	2678.422291
1.10_452.0166m/z	452.0166039	1.098716667	neg													1270.827562	1632.511463	1784.982666	2295.152525	2042.317048	1591.349924	3039.286167	1757.177159	1509.616003	2200.676587	3371.14106	1700.870741	3189.63509	2845.361216	2398.031143	2845.761836	2208.609428	2302.338689	2055.94638
1.10_469.1069n	468.0996655	1.098716667	neg													5648.354928	7421.582569	7279.95156	5168.768081	8103.168862	7500.627765	10289.89979	4799.918869	7035.099545	7192.365787	6998.291804	8059.656423	6535.635453	8161.198114	8538.421592	9892.534129	9988.201933	7907.998874	7600.085346
1.10_483.0473m/z	483.0473131	1.098716667	neg													1360.594594	2225.746248	1591.694607	1983.197305	1841.903012	2123.005266	2594.434273	1139.091573	1196.82324	2957.568727	1930.026265	1635.865262	1724.777965	2885.50598	2456.814602	2275.163232	3437.757729	502.33085	2918.182473
1.10_495.1356m/z	495.1356094	1.098716667	neg													11627.91465	11420.51083	9507.428031	7658.947694	9789.53765	12086.58855	17509.64406	12018.08075	11808.01458	10681.85022	8223.062628	9234.47519	10409.44784	7404.852612	11171.97811	13395.01151	9935.998979	13875.833	10047.65836
1.10_506.0625m/z	506.0624976	1.098716667	neg													1563.139936	1848.801244	1143.713846	1122.076019	2218.02123	2053.083106	259.5546024	579.178912	263.2155843	1429.359319	918.2910402	1304.625767	932.1491131	2553.580745	2794.003948	2197.37384	2857.532019	203.2026802	1564.373184
1.10_660.1930m/z	660.1929515	1.098716667	neg													2671.463345	1948.513667	2758.243645	2389.418994	2342.899991	2218.953835	1560.521254	2725.084718	2756.053072	2149.713004	2120.979321	6859.412114	1501.174158	1422.236176	1702.698727	1010.491471	1642.655625	2329.204182	2420.263229
1.12_142.9738m/z	142.9737583	1.118516667	neg													654.7741996	762.8556447	612.5745348	669.7883776	697.1845438	504.8006708	787.1795554	632.1821598	692.5803669	648.8689694	765.4109285	707.3757913	793.0413112	694.9025869	731.0792709	731.2719682	655.2447593	525.8043077	673.2832994
1.12_178.9642n	197.0006654	1.118383333	pos													2346.668022	2827.75578	2240.719666	3400.210752	1954.893738	2418.752431	1869.104805	1244.965206	2334.9752	2829.316144	2184.154981	1104.838828	2152.437199	2938.133767	2505.488999	2485.01587	2741.427024	2398.459012	2748.250008
1.12_183.0652m/z	183.0651896	1.118516667	neg													106.852714	87.49289323	67.68606171	108.7130438	109.2918908	141.6275904	53.56003192	94.83180298	0.000297236	44.99842659	54.10332648	81.00271641	104.7881847	80.03822091	131.8873866	86.88915062	62.1970999	126.3597369	91.71361081
1.12_187.8600m/z	187.8600443	1.118516667	neg													762.5348062	581.1107331	586.6399309	451.1931486	540.0957756	738.5722123	645.9884546	599.7599031	416.5759669	540.4796742	406.3323142	625.5257803	487.5781173	630.0062244	482.5960516	510.2303434	774.1232417	280.5919965	454.4530631
1.12_201.0081m/z	201.0081098	1.118383333	pos													1315.39753	1029.320571	1330.292781	1195.07474	1131.623016	1169.545653	1506.940158	2362.20526	1782.983839	1050.663496	1830.861144	1029.499984	1104.065974	1238.91383	1776.093619	2016.121349	1119.013002	1289.640844	928.7404758
1.12_213.0373m/z	213.0373106	1.118516667	neg													1252.937771	1590.879873	1239.323897	1084.201104	1201.011311	1369.463664	958.1765008	1860.885796	2315.941294	1725.359793	1219.296138	1849.518533	1449.736125	1272.677718	1290.979291	1152.070895	1420.988052	1517.104333	1601.572683
1.12_227.0168m/z	227.0167844	1.118516667	neg													14213.03212	12197.6793	11926.80448	13503.08877	11689.72027	16212.22078	11145.35322	13576.39561	13800.58122	15215.63901	9587.856014	11471.75637	8806.996769	9825.800405	11922.12557	8829.375572	11937.38458	11254.5762	17462.20585
1.12_247.1285m/z	247.128547	1.118383333	pos													11339.42239	12172.81387	10397.957	4702.567112	21225.53816	4569.893266	16088.43003	892.4873652	1798.467085	19447.33717	8267.032811	2164.97629	16294.55913	28104.40819	18636.52668	23304.65112	18531.46469	6936.453721	14445.90753
1.12_247.9235m/z	247.9234832	1.118516667	neg													3362.124166	3760.198068	3286.971188	4292.313251	3915.677487	2959.983126	4092.890792	3067.147388	3975.132179	3907.323123	4466.676371	3495.595828	3201.258656	3560.861775	4320.678508	4334.473642	3340.25952	4222.391687	2852.8561
1.12_289.0191m/z	289.019074	1.118516667	neg													2426.192277	1810.5265	1438.028738	1707.75323	1595.411174	2315.162025	899.9700109	1586.133176	1267.251817	1833.364823	1052.953223	2750.7677	1045.531166	1082.857238	2013.916842	1173.971313	1529.813679	1222.956102	2475.70114
1.12_294.0655m/z	294.0654563	1.118516667	neg													2822.908899	3006.489978	3735.558289	2438.956846	3922.647123	2691.527047	3570.139019	2981.001676	3944.664916	5221.745143	2864.415815	2107.647812	2536.101882	2544.648386	2706.212113	4263.101775	2490.394128	1986.547972	3494.48096
1.12_308.8641m/z	308.8641446	1.118516667	neg													1395.478714	1071.117382	1067.146402	954.5459562	1083.469286	962.4104845	1245.570435	1078.119331	1021.506692	1114.759825	1455.80329	1071.939822	1135.90871	1012.3763	1304.905538	1363.208039	1215.781195	959.0615952	1053.789679
1.12_310.8876m/z	310.8876318	1.118516667	neg													998.361493	1132.640313	1110.853183	1013.137872	1081.39894	1009.605188	961.421611	941.6506149	1125.810169	950.3922626	1209.843055	939.6350855	888.8579579	984.5058948	1072.347818	1440.481835	966.639157	614.6152201	661.1750185
1.12_317.9314m/z	317.931408	1.118516667	neg													1607.216478	912.6425735	1223.363138	1377.251044	1058.980219	1179.745872	857.7955272	618.9632979	373.0395277	715.2379542	881.6202234	737.5310854	1270.48309	1176.110972	962.0421817	1034.573412	1220.626228	948.0168511	1238.548401
1.12_357.9382m/z	357.9381753	1.118516667	neg													1263.369906	1285.185882	1466.870154	1249.134742	1025.612134	1256.320252	1377.163102	1088.411403	871.9800268	1306.71171	1532.768843	1114.24772	1166.43171	1137.25091	1018.474627	1650.066633	1434.90935	1146.56043	1065.345232
1.12_362.9925m/z	362.9924917	1.118516667	neg													1623.412347	1769.432962	1600.267531	1613.404901	1684.81219	1844.249656	1793.636592	1837.147443	1478.105592	1686.535289	1615.166894	1233.140294	1325.565498	1537.657721	1399.548382	1255.863851	1565.752078	1336.772375	1915.972152
1.12_445.0578m/z	445.0577592	1.118383333	pos													1693.757084	2223.609192	1801.52356	3257.105342	1367.590831	1846.573728	1298.919909	3377.374213	3924.324518	1484.529551	2365.834475	6604.985728	1574.464144	1408.47323	1871.696214	1983.00671	2061.745933	3725.134439	3189.820938
1.14_102.0134m/z	102.013413	1.13905	pos													1358.184779	820.2371939	1161.860267	1010.303068	882.532365	879.1426096	1119.82661	1316.625462	1271.90457	916.2927085	1352.424162	590.537327	893.8664961	884.9462699	1095.726933	1143.429892	1180.596567	1219.193508	1193.240821
1.14_102.9473m/z	102.9473149	1.13945	neg													338.0918826	242.4335995	281.8073308	201.269925	238.455344	274.9426258	256.9871045	186.213132	279.237254	223.4762411	326.7185423	242.1102049	217.7654694	326.2074626	244.2148925	306.4944316	357.5882753	154.7823388	233.2239358
1.14_104.0418m/z	104.0418441	1.13945	neg													136.6076818	118.499958	105.1366968	87.43981381	97.99153181	172.5144536	74.74046024	98.60259533	112.6623796	152.3775797	83.68764511	135.2807514	181.7944962	120.6672763	117.1420662	97.0630398	116.2239853	89.61090175	180.4954817
1.14_112.0390m/z	112.0389571	1.13945	neg													191.8531064	145.2188768	171.7472563	188.1790024	105.7027192	236.3937965	171.1819044	230.1857575	213.1158609	145.5826561	177.4715945	245.1817381	221.5839949	168.0037406	112.2626303	180.4205946	184.4189815	144.6793578	168.0283714
1.14_112.9562m/z	112.9562208	1.13905	pos													495.1496878	535.7500878	468.0129752	539.6688107	872.3414147	502.0892518	577.4362729	511.4111044	690.0807301	518.4158076	781.4398307	485.1106973	803.1149759	562.1978463	722.9768358	394.6133573	368.2427398	565.1615694	417.4446234
1.14_116.0095n	115.0021876	1.13945	neg													110160.059	108815.8542	98554.19504	124584.7171	80988.69697	145207.2988	85989.21476	132913.9672	137625.455	117845.6202	96910.28408	111837.7348	72024.89242	79386.24258	85983.17338	90900.28592	93782.13073	107753.7207	125703.0751
1.14_119.0898m/z	119.0897805	1.13905	pos													259.828215	337.6243525	316.7925505	230.8036791	202.2191327	323.2996851	214.7078374	221.4955401	226.1499233	286.7428959	57.93569591	112.9141428	113.9034511	0.000297236	313.9152131	140.6118173	103.390029	193.1581483	165.1242015
1.14_125.9611m/z	125.9611023	1.13905	pos													1422.588902	1110.681312	1371.537104	1007.942181	1178.475487	769.375756	1048.149744	1289.057111	1565.574077	1274.61362	693.9251527	1204.998125	1130.64092	1278.87077	1976.296474	1428.825385	1204.853774	1612.428423	726.6338239
1.14_125.9642m/z	125.9641934	1.13905	pos													2154.387258	2060.366027	1856.847971	2431.843096	1976.250907	1819.422443	1902.575193	2565.995848	2267.833707	2305.154864	1939.726492	2016.772869	2197.276316	2158.020562	1863.861092	2039.808347	2047.422724	2624.254904	1829.491207
1.14_125.9863m/z	125.9863072	1.13905	pos													5198.638826	4709.060501	4188.935154	4694.436437	3532.764361	3901.903475	4084.177178	4268.54776	5338.650448	4007.209303	4566.733472	3756.650583	3857.951274	4113.965675	4110.894561	5537.598816	3997.216138	4717.436061	3336.136924
1.14_136.8618m/z	136.8617608	1.13945	neg													1996.525658	2165.075897	2210.603439	1834.891701	2271.238488	2136.474588	2608.560259	2061.627225	1941.49642	2191.378565	2129.290582	2384.602431	1983.724288	2123.227328	2050.063978	2348.211229	2364.727395	1788.015307	1604.59039
1.14_136.9844m/z	136.9844094	1.13945	neg													558.4599939	470.1301517	450.9482164	359.2966789	297.2059696	593.8437686	425.1651695	371.1232476	329.3897407	405.2718871	363.6405005	491.1660112	389.3665953	448.4564332	336.0737224	485.5060115	538.0273833	203.383205	564.5991713
1.14_137.9868m/z	137.9868117	1.13905	pos													495.5646877	401.5142988	649.9116961	538.4093708	604.932614	388.2034202	472.8218638	429.3564273	466.8196286	459.1043736	547.7098317	370.2235821	513.1766796	559.5681789	399.9005834	462.2161637	425.2142835	411.4026071	549.1617723
1.14_140.9512m/z	140.9512496	1.13905	pos													8056.762793	5627.47665	6061.009	6831.291764	6246.799273	6759.094252	7036.058577	8348.213422	7754.763514	7061.236898	7164.212498	7295.929776	6514.157329	6887.224397	8307.837907	7609.347409	7479.260459	7980.212642	6624.154941
1.14_146.9611m/z	146.9611394	1.13905	pos													8238.588423	11108.77589	9336.346863	10342.22435	10030.8278	8558.077633	8861.707838	9986.064468	8879.523828	8530.133555	9399.949265	8464.41748	10804.81842	9370.838805	10208.34869	10660.17103	9127.171363	9543.374759	7385.485793
1.14_148.1139m/z	148.1138946	1.13905	pos													241.3524733	269.2202271	240.566021	130.9017252	290.7676907	242.1102902	118.2679916	213.6204912	252.2613338	154.6591513	66.77410413	60.06393797	201.4618349	107.342158	282.0569334	166.7502793	137.9950516	214.0754828	185.9078956
1.14_149.9776m/z	149.9775644	1.13905	pos													452.1377342	334.3995459	537.7788119	194.0486979	530.463886	318.063977	360.3488544	383.2894286	589.0201144	597.3674528	596.653093	361.0225595	655.1242432	552.3130745	762.0657052	613.6955413	540.0639318	552.2015531	342.7611253
1.14_154.9668m/z	154.9667707	1.13905	pos													11623.08078	8679.772439	9413.431079	9964.479551	9421.672483	10046.97932	9593.889681	10924.32834	10763.64974	10240.33055	10327.47567	9861.303383	9614.747838	10309.24495	10837.62322	11363.51118	10188.36676	12128.60113	8815.588568
1.14_155.9743m/z	155.9742567	1.13905	pos													2071.740459	2323.783875	2214.888709	2510.032512	2747.168024	2095.558894	2596.836719	1902.530859	2403.591449	2697.621882	2477.700539	2140.96476	3044.585873	3126.088042	2404.811967	2164.780638	2643.53862	2701.041422	2144.049821
1.14_157.9738m/z	157.9737502	1.13905	pos													2515.695364	2482.820264	2833.00616	3312.978516	2276.916137	3568.658023	2866.859986	2384.66114	2397.978507	2814.691197	2352.497119	1787.133349	3296.539111	3066.881384	2770.915118	2088.87918	2882.289362	2805.712635	3070.446039
1.14_170.8697m/z	170.869709	1.13945	neg													1143.811731	1112.161447	1025.834475	883.5358293	1025.221275	893.2401465	1574.818285	655.0413868	919.9172089	992.1493573	1154.079892	1171.136985	1220.629852	1100.065332	1150.25354	1450.511293	1112.351445	908.1268437	788.0274575
1.14_171.0263m/z	171.026323	1.13945	neg													4314.762344	4149.746049	3867.703286	3734.606092	3707.694832	5277.019399	3711.084613	3251.140672	3770.674948	3788.902722	3542.399737	4195.531129	5747.941554	4380.879206	4179.085933	3704.332385	3779.208641	3846.794456	5102.207154
1.14_172.9612m/z	172.9611628	1.13945	neg													7878.39835	7271.430079	7143.443424	8714.920462	6280.251772	8988.090854	6502.766927	9047.987575	8740.702436	7873.168476	7291.421742	7186.12243	5867.334936	6116.92659	6363.764246	6923.518441	7311.282222	7746.886947	8196.107023
1.14_174.9577m/z	174.9576703	1.13945	neg													3254.430656	3520.623339	3319.017476	3764.609072	3015.023493	3269.240337	3478.206355	3327.350582	3791.079441	3486.296898	3673.393305	3376.437132	2895.671745	2855.371891	3193.139266	3445.863325	3181.46134	3202.326327	3264.092001
1.14_175.1188m/z	175.1188111	1.13905	pos													3469.092717	4952.893782	3991.257078	4409.162759	4549.899445	3332.428094	3880.088332	3239.336668	2320.353467	3398.69624	4201.458714	2981.384198	4333.61203	4948.20166	4320.284247	2878.752399	4058.39691	3805.774866	4194.939925
1.14_182.9901m/z	182.9900919	1.13945	neg													57844.58459	56366.94413	54620.47155	63116.08963	45422.79093	67149.36175	49892.69809	64624.70986	64761.45999	59518.05815	55988.70586	54176.86723	42853.83831	46378.16159	47594.54979	51527.3566	52030.0064	56241.17322	59310.58586
1.14_183.9326m/z	183.9325663	1.13905	pos													6833.107868	5673.984509	6098.529297	6545.186016	5231.785126	5596.555756	6312.02649	6849.44958	5908.20576	6884.891813	6737.852536	6405.970459	6186.912842	6377.493229	7442.482833	7330.05403	6674.969294	7333.099039	5862.309711
1.14_188.0166m/z	188.0166209	1.13945	neg													935.4696214	861.9608208	638.2764397	589.2992794	661.4922241	964.8352929	630.3671274	427.2580406	662.7606406	591.8759484	620.7569019	665.1668265	1286.915807	892.9450499	930.1275492	798.6019209	754.1887262	802.4094578	826.3836171
1.14_195.9741n	178.9708016	1.13905	pos													1361.585711	1468.849155	1418.007903	1141.550404	1284.260995	1404.847264	1651.042222	1329.137336	1695.85786	1369.927446	839.4199035	1491.972538	1183.21627	1585.027567	1597.513606	1379.175952	1542.231412	1455.385086	1569.908302
1.14_196.8841m/z	196.8840585	1.13945	neg													1806.467925	1676.961287	1523.368041	1602.962295	1585.028152	1203.316472	2069.446832	1441.947952	1718.041977	1548.142066	1832.451438	1773.928058	1598.990394	1493.8966	1810.536397	2133.245607	1755.058338	1283.994371	1058.516951
1.14_197.9848m/z	197.9847561	1.13905	pos													7070.342159	4520.301471	6191.738556	4489.902254	3284.769806	5602.260988	1341.233508	11360.1565	14706.89417	4391.635497	3391.090611	10565.58414	4970.19033	4352.014257	4461.069011	4336.107886	5737.320071	6947.48745	7247.601558
1.14_199.9804m/z	199.9803894	1.13945	neg													16397.40631	15807.93234	14679.84887	17503.63683	12335.99341	19276.24411	13509.22643	19894.72006	19600.40065	16107.9747	14646.87185	15453.90009	11815.8404	12830.57665	12980.59503	14322.32229	14614.26064	16568.84322	18026.57636
1.14_200.0003m/z	200.0002921	1.13905	pos													6041.391708	5807.762137	6352.347109	6039.497062	4247.260138	8154.238386	4119.572875	5366.776781	5715.824509	5046.528351	4576.602078	5535.084693	8452.559856	7216.285913	5962.064902	4823.041577	5266.730479	5981.051143	8533.045136
1.14_202.9641m/z	202.9640956	1.13945	neg													636.5477913	536.6899841	654.6116123	399.9409333	456.5694253	688.8323594	533.2819377	330.6872718	460.8930635	456.3774885	419.823891	630.4288117	771.2226808	579.900251	576.6492221	555.8416202	516.182294	381.2731643	663.1805912
1.14_203.9359m/z	203.9358893	1.13945	neg													812.9750849	828.6023911	740.9576449	1136.860121	795.0428104	940.0382924	1079.350808	1066.934709	945.3389173	962.4625801	1206.166986	1280.54429	880.1130612	783.7843554	764.0566625	1094.646069	973.2981779	1031.998161	1109.854785
1.14_205.9801n	250.9783262	1.13945	neg													27403.76142	28100.61293	26968.92389	32868.84043	22861.35148	32532.34261	25401.61935	31612.95012	32184.47429	29366.44728	29399.73456	27195.58911	21399.63768	23025.26113	24480.83466	27213.11629	26042.16746	29655.1626	28591.95708
1.14_206.0485m/z	206.0484946	1.13945	neg													1026.932955	1174.205385	1060.623852	1077.077458	1193.71198	620.3975324	818.641174	2516.169886	1665.501111	589.5748783	723.7314701	1291.027874	946.9696148	918.8975487	931.9394564	771.0405718	875.9923376	1003.925577	861.6414875
1.14_211.9639m/z	211.9639002	1.13905	pos													5782.743109	4837.427929	5734.561005	7465.052538	4829.744261	6436.75544	4666.894935	5723.236983	6623.395225	6093.522316	5464.455639	3382.561691	4011.612663	5422.208381	5074.777455	5216.538348	5818.572754	6756.81794	6855.31892
1.14_214.0034m/z	214.003442	1.13905	pos													2755.506244	3697.503671	2145.449493	3124.703061	2717.826111	3159.663031	3535.70421	2251.61491	3313.820767	3210.771428	3745.336899	3104.611167	2311.305533	2065.768728	3219.44903	2543.828927	2817.341384	2550.951547	2438.814864
1.14_214.8914m/z	214.8914032	1.13945	neg													867.0617293	1296.046772	1123.041397	1219.347239	1045.011555	1201.942298	1295.363705	966.8946368	1251.180775	1445.706393	1574.522143	1357.299724	1185.176456	1104.218958	1184.651986	1363.146292	1240.541984	906.0718428	1258.435882
1.14_215.9351n	260.933835	1.13945	neg													13137.11806	12644.62721	12196.69949	13518.53085	9934.458099	15321.74127	11958.31485	13925.28021	14716.04806	13515.52144	12119.72502	13392.01451	9615.62895	11013.88201	11005.12857	11778.86999	12348.88789	12607.71111	12997.84785
1.14_220.9746n	239.0111528	1.13905	pos													6167.499995	5951.930352	6025.280153	4944.999973	3540.466844	6936.390454	2712.964978	11452.72106	15426.28346	4274.290472	4499.957457	11815.79478	6747.835312	6228.715273	5548.498333	5308.815776	6616.223712	7893.220311	7912.039937
1.14_225.8968m/z	225.8968082	1.13945	neg													731.9122849	550.6986107	690.1283716	609.1947139	621.5885674	574.2798265	541.3356985	904.1042235	963.0187627	757.1924614	834.4213388	869.5997989	720.9516185	804.4173303	589.6989281	917.9164334	589.4063354	681.9118077	367.7001863
1.14_226.9806m/z	226.980622	1.13945	neg													692.0384417	915.450938	869.7446808	1207.856649	871.1677372	797.2629876	756.0705285	1161.011474	1193.572272	1058.970054	767.6963534	1141.358109	605.1157593	839.8234744	784.196749	701.3797916	956.6917901	842.2786743	1020.560827
1.14_228.9666m/z	228.9666442	1.13905	pos													14723.9508	14689.141	14509.48606	18521.56901	10699.63325	17270.12378	12935.47173	16614.11112	17058.23924	15599.32636	14339.38307	14051.11209	10138.60862	13256.58895	13173.5299	14044.30498	14733.83677	18443.08696	16197.82783
1.14_234.9620m/z	234.9619689	1.13945	neg													8526.373959	8064.763096	8748.006074	10559.46692	6510.259538	10595.21998	7321.811786	9955.329211	10000.7678	8788.828619	8189.548204	8796.27551	6521.582711	7375.624742	7382.380173	7737.147535	7650.9537	8871.776918	9156.710884
1.14_237.8973m/z	237.8972645	1.13945	neg													1044.198094	843.432757	1042.94558	1090.119813	744.0063329	858.5446302	939.6346864	855.9024896	905.6666127	777.9758678	919.1059817	1192.813314	743.1126833	1155.063267	933.4251542	1136.432896	858.133755	888.7965792	771.618641
1.14_239.8762m/z	239.8762354	1.13945	neg													350.5045329	279.7323742	322.4828099	313.7186831	377.2126137	299.5728246	351.5993887	220.0849754	202.3628107	247.2079365	346.6431923	286.4402443	249.6929147	286.0036221	278.6802262	348.4879494	224.5714521	303.1147075	265.7957023
1.14_240.8762m/z	240.8761512	1.13945	neg													605.4613817	596.4109396	551.6125981	588.4217391	461.6477678	800.2963018	394.9185609	827.2861872	599.8275876	600.7325427	448.0971418	590.1437663	345.0960002	433.6252435	481.0874442	421.6484497	685.9913009	622.8054601	595.5289859
1.14_240.9494m/z	240.9494288	1.13945	neg													2823.896041	2726.535985	2792.112276	3241.648056	2483.148814	3338.810878	2364.07108	2880.332962	3114.126086	2708.013358	2878.253115	2238.64916	2315.492319	2347.028384	2344.967282	2663.24988	2615.827594	2749.016744	3016.815956
1.14_242.9823m/z	242.9823065	1.13905	pos													9793.129295	10523.74094	8877.051884	9114.536857	8142.634298	9035.99646	9134.52958	12783.03009	13327.8631	8529.413846	9470.01424	13215.90002	8350.570814	9362.744211	10648.68383	8441.087628	9063.098206	13183.9876	10046.60614
1.14_246.9545m/z	246.9544954	1.13945	neg													971.7795897	1349.344276	1060.935774	928.4811264	741.226452	1140.916236	474.2002904	1643.422033	2349.612952	743.1077846	891.5074765	2077.870171	884.064281	748.1541788	899.0492727	1022.244358	1043.859145	1026.317124	1148.084854
1.14_249.9413m/z	249.9413279	1.13945	neg													336.9479939	441.8413714	392.7491978	502.4531739	357.0240038	518.7828155	394.6172822	346.1369429	387.141334	409.9228143	409.6328757	531.7549148	331.7540957	320.0820037	387.5640523	406.7354377	502.5332836	383.4766398	426.2999816
1.14_250.9052m/z	250.9052155	1.13945	neg													1274.996859	926.8539919	918.1676789	1020.053806	901.5284414	1220.979672	1062.916815	1055.69221	1087.360032	1156.032317	883.2816279	1162.552336	713.9084787	904.5144876	946.6071247	1078.304553	1027.292728	874.5784911	1023.316824
1.14_252.9964m/z	252.9964142	1.13945	neg													30074.55138	31207.78995	26471.12334	40604.44529	19353.21804	49887.12341	22648.37887	43080.06738	45105.23815	31729.98384	26217.44063	32575.06444	15180.21148	20520.16786	23211.40525	23931.35358	26912.34836	32487.6264	34649.76294
1.14_258.9382m/z	258.9382221	1.13945	neg													751.2307014	660.7646835	472.7063866	694.9395824	524.9747899	848.8066393	629.2007969	793.0823653	695.3816133	625.9399361	898.331189	665.7651793	502.3793308	565.6304566	527.2383812	542.5059112	655.0624773	686.0148384	737.9747217
1.14_264.8726m/z	264.8726122	1.13945	neg													677.3214738	525.4430931	534.5618496	367.9530112	619.9728659	335.2007578	911.1868923	313.312625	364.949491	231.1098248	720.9985488	639.5519344	612.9611723	571.0741648	778.2796144	801.2148232	676.3685114	458.3130812	369.9869489
1.14_267.9688m/z	267.9688324	1.13945	neg													2382.892257	2265.060724	2231.71753	2987.397685	1986.838943	2695.58602	2336.509068	2883.717567	2904.632524	2667.301814	2377.54861	2419.822842	1846.729243	2124.531744	2162.352113	2451.503527	2189.672538	2463.760843	2629.122313
1.14_277.9245m/z	277.9245136	1.13945	neg													543.9482789	643.2933563	656.6384618	533.9925344	473.3446113	537.3681531	440.2580911	493.5789202	628.4902309	652.768948	444.8829843	535.7946935	428.2741137	458.0856407	390.1326608	599.9143081	562.7385466	602.8568479	648.891589
1.14_277.9366m/z	277.93663	1.13945	neg													3225.896811	3149.082888	3451.376662	3783.03851	2478.82825	4197.677572	3118.188317	3288.765237	3392.25606	3442.753734	3208.964088	3264.73444	2482.741345	2599.900244	2322.147917	3177.713464	2963.789036	3454.550811	3183.299836
1.14_283.9232n	328.9214107	1.13945	neg													13219.1478	12234.02844	12884.83531	13988.74436	10769.86938	14459.26948	12581.66177	14287.43202	14521.58586	13552.61193	13143.08718	12683.68612	10171.24029	10846.14071	10544.75726	12699.76262	12035.64145	12821.8484	12400.22857
1.14_292.9209m/z	292.920875	1.13945	neg													743.749144	919.4070206	913.2604179	1125.208684	487.7441986	886.874821	608.7831031	706.3619682	771.3748602	793.7952064	659.0922123	857.7655537	610.333194	686.8935286	884.3404187	845.0048265	791.803376	831.9640073	779.2969202
1.14_302.9498m/z	302.9498181	1.13945	neg													5146.279103	4809.552506	4735.599734	6266.595777	4544.685263	5073.53892	4219.970389	4925.967281	4962.318534	4733.140022	5326.712377	4543.606105	4466.923921	4360.147687	4836.365225	4780.8523	5410.441874	5106.973322	5249.574393
1.14_304.1864m/z	304.1863612	1.13905	pos													1829.2406	1949.69367	1316.960785	1576.294242	1587.523277	846.5728863	466.6772085	175.4829742	168.4014075	697.1147214	1576.987574	396.3113685	1496.859959	1642.827372	4190.798325	3519.083117	1375.340553	2617.869386	4332.902895
1.14_307.0043m/z	307.0042644	1.13945	neg													1763.235936	1701.963136	2001.347567	1358.088817	1229.613376	2396.204031	1352.900395	2771.075716	2948.870697	1459.965981	1226.765663	2605.732956	2331.491764	1830.83872	1413.325634	1877.849951	1693.411148	1625.02458	2245.267987
1.14_307.8559m/z	307.8558883	1.13945	neg													2979.972727	2811.008538	3465.003924	2304.275004	2065.992041	3487.002448	2993.57115	2515.485643	2872.103699	2213.109637	2711.874679	3590.684501	2857.847417	2974.078014	1972.43552	3084.664819	3475.129552	2113.053809	2284.720913
1.14_310.9554m/z	310.9554251	1.13945	neg													2146.266715	2273.548162	2139.008957	3046.617533	1649.50947	3622.416693	1862.636517	2946.472932	3309.24876	2341.902412	2329.166499	2684.402702	1340.680269	1744.12032	1973.951807	1906.282236	2467.87742	2492.23968	2493.155702
1.14_318.8926m/z	318.8926137	1.13945	neg													1032.73081	769.7584501	862.9263333	1010.543138	822.3041092	1125.057946	992.4702503	772.3649237	899.1507152	831.176418	861.4259478	939.6232485	771.4200695	642.120928	820.7583076	701.8271667	991.5834706	922.4313999	753.6305598
1.14_320.9841m/z	320.9841019	1.13945	neg													13043.16554	12282.18609	12049.82567	16804.20007	8720.097275	19958.60096	10837.91694	17516.30783	19050.62646	12985.76155	11515.7959	13562.68953	7130.801574	9067.736663	10238.14516	10843.93713	11682.64476	14020.55476	14265.22187
1.14_326.1638m/z	326.1638171	1.13905	pos													4744.641948	4450.821691	3468.54936	3756.57909	7308.691051	5270.181088	8200.233997	1889.786633	1599.456392	7310.399562	4510.010554	1086.618539	7091.035426	4762.378445	4161.102507	3510.491974	5379.925506	2277.847182	4986.547091
1.14_326.6655m/z	326.6655287	1.13905	pos													868.9358693	1136.995711	1335.21225	348.7565104	2069.549583	1185.896919	1878.207616	500.3796849	255.9816942	2448.235019	1267.026762	191.760518	1564.623007	1424.012973	978.0579797	671.6185683	1232.959827	377.9342568	799.0264296
1.14_330.9394m/z	330.9393762	1.13945	neg													3089.479079	3196.504382	2963.330845	3796.504397	1822.26809	4900.587259	2195.520135	4094.638472	4522.369128	3170.552446	2863.08581	3463.88281	1563.644862	1655.433154	2079.43677	2212.11313	2666.054751	3156.192901	3225.358396
1.14_335.9562m/z	335.95619	1.13945	neg													1132.596887	986.0236964	1086.051098	999.791237	781.5957023	1184.471938	1077.974428	932.0462895	933.3230374	907.0740586	1168.79756	1088.17264	771.3974046	787.0107396	1003.511359	928.0570124	1012.035113	1203.79648	1056.77181
1.14_337.9743m/z	337.9743272	1.13945	neg													1359.849158	1698.547769	1167.157075	2041.401172	847.7226199	2395.211489	1062.536046	2281.325215	1962.902292	1305.15845	1280.684065	1606.672274	762.3647709	1094.800207	979.1018862	1079.674194	1076.519596	1557.400205	1408.643962
1.14_340.9479m/z	340.9478769	1.13945	neg													7913.337742	8450.563714	7755.453785	8671.43708	6934.128946	8801.886399	7963.184973	8616.283721	8586.761234	7888.775419	8988.109741	7406.513529	6780.043633	6873.245384	7156.788569	8293.931893	7468.562081	8894.40502	7145.582458
1.14_345.9116m/z	345.9116433	1.13945	neg													708.1410061	717.1452229	709.3898468	790.3775973	569.5040614	863.6959734	607.3044937	962.6469473	625.9307591	675.9912333	894.0065498	791.996189	755.456311	986.9396547	692.7161716	860.5103662	811.410937	744.9087049	722.6999995
1.14_346.9764m/z	346.9763692	1.13945	neg													526.2183417	751.60856	638.6872482	508.4483078	588.3973758	872.6756396	405.3705928	737.8852769	420.404316	410.9712265	329.9191103	466.55112	373.1835063	568.1222122	438.3128941	391.9207333	581.612995	566.0184658	667.9443687
1.14_354.9206m/z	354.920551	1.13945	neg													602.7057529	602.3046665	495.4815011	355.4452805	432.5646526	653.0060926	517.273407	320.2934576	249.6078381	363.8337233	221.9881984	236.4022598	283.1916366	647.4561143	578.3988312	506.7122012	592.7087452	178.152163	246.5266603
1.14_365.0102m/z	365.0102276	1.13945	neg													1079.531725	903.2692928	1016.217102	1515.646336	852.2115379	1906.584749	987.1387091	1360.647111	1487.361664	1063.553452	1091.202463	1401.923132	549.3202277	775.793237	1109.592039	949.1080549	1272.717043	1181.499053	1266.587065
1.14_367.9060m/z	367.9059595	1.13945	neg													2348.575599	2475.564838	2428.196246	2509.902605	2124.090606	2490.356994	2547.540773	1960.389439	1414.541443	2251.810144	2305.816354	2232.967201	2170.884386	1974.877774	2348.578205	2502.015296	2378.334581	1979.476884	2298.307959
1.14_370.9380m/z	370.9379567	1.13945	neg													1690.881947	1948.106521	2232.592446	2161.726291	1584.04141	1684.075737	1732.902985	2019.450458	1544.732703	1780.839392	1924.891893	1582.667736	1220.763816	1414.680265	1733.795099	2018.688438	1659.374044	1718.271533	2031.444524
1.14_372.9559m/z	372.9558833	1.13945	neg													1285.742907	1512.350962	1619.279025	2296.942555	1265.054532	2448.708783	1491.66573	2350.836139	2235.578984	1531.500444	1828.129908	1443.009639	983.0111961	1155.594816	1224.209376	1362.365913	1620.709643	2048.169894	1828.515401
1.14_377.0967m/z	377.0967364	1.13945	neg													2765.877934	3100.821214	3302.864014	3629.548953	4512.213984	2127.359951	4715.02041	2925.514474	2802.738699	4907.631184	4020.87654	2869.637754	3978.744342	3518.960116	3805.55405	3655.656322	3171.898494	3423.459948	3691.527553
1.14_378.9427m/z	378.9427286	1.13945	neg													799.0741877	966.3971295	1044.925472	1223.861824	699.4305645	1063.525965	847.8049925	1474.88294	1206.765262	1020.06487	944.625294	815.9445834	439.4250729	734.2253521	757.2681134	877.0235387	854.0647323	1003.327071	1026.785459
1.14_383.0845m/z	383.0845093	1.13945	neg													3454.566856	3750.500094	3047.334897	3704.733804	3967.757413	5728.928801	4340.492711	2493.050237	3155.975363	4796.969643	4246.746795	993.5383155	2686.586556	2228.257056	3045.308754	2488.883547	2853.95881	3394.095894	4408.623488
1.14_388.9718m/z	388.9717529	1.13945	neg													3562.098316	4047.523528	4008.768352	5284.163956	2766.789695	5918.876574	3375.017022	5221.67935	5162.948668	3833.459394	3808.067558	3858.702805	2136.442419	3235.40679	3073.443816	3316.769739	3558.007832	4345.126952	4059.971719
1.14_394.9284m/z	394.9283587	1.13945	neg													846.1919971	805.9986813	826.3606679	743.5329116	900.8885224	1104.215236	749.896646	891.6934267	642.2774312	832.8479299	747.7105752	942.5188601	748.8308461	880.1412866	828.9628632	901.4189731	789.0003164	626.976628	938.5744511
1.14_398.9268m/z	398.9267939	1.13945	neg													4082.185717	3145.612781	3693.954689	4551.626223	2459.615733	5519.279238	2798.084544	5368.377705	5501.631075	3409.723705	3280.769167	3871.599191	2153.517033	2138.834466	2875.66187	2869.103217	3229.942448	3989.650426	3405.706652
1.14_408.9353m/z	408.9352851	1.13945	neg													2536.50453	2646.677109	2831.49035	3009.256492	2559.861419	3395.234862	2776.869088	3226.09758	2612.451408	2265.215061	3616.748752	2186.098271	2770.372113	2506.865244	2515.127884	2715.62394	2615.193405	2090.444064	2268.175956
1.14_410.0868m/z	410.0867976	1.13945	neg													813.1464786	534.1050411	781.0855068	1261.594242	865.278955	914.9383573	551.9303631	590.4941195	265.3041492	783.6422246	927.8667891	646.6795376	947.6800094	913.7793	1299.3347	1197.208878	725.1239171	1438.782322	1499.877191
1.14_418.8910m/z	418.8910468	1.13945	neg													4314.342615	4514.716006	4395.221391	5210.490505	3719.951968	5487.272414	5317.341815	5154.534134	5377.268211	4659.024385	5538.504653	4024.479258	4281.542939	4345.352662	4471.238419	5086.391434	4918.37143	5092.896618	3768.422068
1.14_420.9086m/z	420.9085971	1.13945	neg													2033.220859	1862.819493	2197.652907	2752.145076	1270.338981	2796.186791	1756.311733	2471.196514	2324.059592	1713.23333	1512.874601	1555.285656	1037.909341	1786.465687	1492.71555	1837.264799	1756.121638	2026.42669	2007.636504
1.14_428.1196m/z	428.1196173	1.13945	neg													1471.640194	1552.78276	1437.294449	2373.593743	950.1075639	2139.024006	820.6552131	1727.643921	2796.766598	1748.618955	1693.318601	1521.227183	771.4150667	1170.762473	1799.02347	1262.549825	1237.745267	2182.231793	1976.198051
1.14_432.9355m/z	432.9355087	1.13945	neg													907.0936015	935.4840081	1091.801437	1532.422994	762.6854871	1704.008503	1082.34759	1469.028075	1448.08732	854.582313	1522.89269	1067.272455	577.4203254	985.0118199	608.3542828	982.5447093	1089.942694	1431.157804	1287.865837
1.14_468.9311m/z	468.9311482	1.13945	neg													927.6667998	860.8030623	669.9212989	1207.401097	384.9100005	1588.140346	387.7038756	1155.027372	1634.721616	950.7736775	547.9727683	998.89477	190.1114174	631.5721848	777.3533045	453.623531	613.8534694	890.0603546	958.605492
1.14_473.0537m/z	473.0536536	1.13945	neg													1058.591716	1246.229614	1033.758772	1042.7652	1285.527308	1573.176278	1492.540951	893.8130817	574.1696791	1314.036275	1353.030193	465.1073876	977.1355785	578.0672001	990.4198689	918.7195206	828.1861724	1166.099384	1400.673638
1.14_486.8785m/z	486.8785201	1.13945	neg													1532.16135	2104.641803	1752.085067	1796.091066	1595.752667	2068.462714	2001.712365	1882.86618	1882.372468	1867.77781	2025.699429	1593.911001	1340.621639	1975.513201	1818.297936	2149.480319	1951.752954	1881.267569	1106.091607
1.16_101.0229m/z	101.0228504	1.1608	neg													7369.263615	8167.889306	7668.722499	6083.603327	5690.023206	8303.668735	5025.817511	11675.49035	12662.8476	6692.038575	6404.326891	10406.49337	7490.214797	6653.779471	6472.05922	7018.533234	7079.258327	7391.195446	8806.945774
1.16_158.9817m/z	158.9817058	1.1608	neg													964.7343985	929.7909268	872.7666976	673.3241046	703.1993572	925.333528	454.4415095	1638.539443	1961.089132	654.3496092	700.0687573	1415.324433	825.476437	810.1818542	846.8583531	866.6474419	1031.012931	839.6320581	1048.806498
1.16_170.0566n	151.0387175	1.1608	neg													6634.920994	6449.449551	7373.141509	4232.704428	4332.992818	4290.795031	3163.454244	4827.494561	27590.34196	3257.857812	3837.112971	23377.07468	4254.911074	4064.347864	4189.228301	3896.979947	4007.014696	4862.299086	4625.361902
1.16_186.0010m/z	186.000969	1.1608	neg													3856.270217	4089.341883	3516.933544	2303.33506	2197.58253	3856.703588	1362.037608	6036.804968	6754.431512	2448.314845	2207.803806	6171.788473	3509.128832	2856.941114	3075.898914	3548.451197	3614.232249	3929.113459	3905.512141
1.16_187.1078m/z	187.1077921	1.1608	neg													471.3256609	431.0954737	584.6818951	326.4713592	931.7135482	603.2559446	426.0150496	114.699292	121.3261737	880.4140921	465.205022	147.9725319	849.4997487	906.1731361	716.6457974	502.4726412	671.6158126	172.6876374	778.2690185
1.16_188.0285n	169.0106697	1.1608	neg													8496.420283	9062.418877	8331.723539	5618.995114	5368.440251	9055.329568	3010.053182	15937.60666	18546.59708	5774.739478	5389.643793	13427.93407	7709.567289	6506.538085	6556.911993	6888.806597	7454.715116	8378.367095	9573.269708
1.16_230.0291m/z	230.0290708	1.1608	neg													179.3701722	297.2072915	290.9938793	296.8522764	123.5522895	196.080314	97.69556708	322.8330766	295.6114216	213.2392778	160.8378812	194.1174196	165.6794601	174.3042262	274.9112145	196.4004809	263.1544991	401.2350533	410.378159
1.16_254.1007m/z	254.1006644	1.1608	neg													1384.3293	1421.625796	1729.244819	957.2573435	680.5593766	1348.316766	383.0225607	3264.584734	3452.639263	1086.125117	1034.425073	2178.752496	1346.531161	1055.000067	1144.79962	691.4123069	1113.857447	1579.673324	2290.393627
1.16_283.0229m/z	283.0228661	1.1608	neg													68.76272548	95.55466652	71.10699081	213.5215214	78.52819334	166.9657097	176.3947592	370.5871298	306.1739716	126.7864424	61.13924595	169.3034244	176.4755217	0.000297236	257.6760479	153.6623613	219.5689493	0.000297236	92.13762711
1.16_290.9711m/z	290.9711353	1.1608	neg													488.4293223	519.8595222	488.2054787	559.129842	408.0774659	735.4388085	628.9475289	620.5601917	658.9942069	536.6481403	742.4767259	455.4723075	514.0254317	231.4354133	390.9863473	695.7875992	650.437432	147.7945232	476.5527016
1.16_303.0091m/z	303.0091446	1.1608	neg													1483.80346	1832.787581	1444.155579	1908.831556	1813.847108	1452.861363	1675.362309	2888.363662	2499.964012	2157.495216	1022.244682	1518.353049	928.6604096	1111.314943	1614.36978	1236.957644	1084.638667	719.0543741	1014.897474
1.16_346.0228m/z	346.0228369	1.1608	neg													1929.834931	1390.281762	1200.664062	2005.31815	1408.269631	1167.73856	732.4998483	1698.814765	1075.244553	1542.22833	1034.26384	776.1980403	891.2311587	1057.203935	1311.031373	977.6453052	1095.160483	1327.659555	2066.708199
1.16_370.0676m/z	370.0675868	1.1608	neg													1418.077254	1107.069767	1577.839042	1428.895071	1352.562423	1265.64835	1337.927484	914.8887616	584.120425	1159.159201	1568.161802	1409.043399	1504.81687	1399.465898	1709.244248	1348.484497	1312.570074	1439.602509	1949.917959
1.16_380.0964m/z	380.0963866	1.1608	neg													8317.75594	8538.74148	10225.13484	9799.918597	7892.930716	10142.9375	6763.226317	6193.445268	6681.103549	8610.586455	9002.683868	7138.31595	10405.89134	9989.055476	11533.1944	10449.27067	8960.466054	10987.72972	13153.69521
1.16_448.0838m/z	448.0838199	1.1608	neg													2855.829574	2906.591675	3496.07754	3852.206741	2885.269837	3640.203676	2352.901839	2416.034306	1754.689257	3108.104687	3751.471408	3009.419142	3622.959941	3931.337351	3789.078006	4162.542909	3321.433054	4021.561997	4166.53498
1.16_462.1306m/z	462.1306262	1.1608	neg													1192.376782	1209.702775	1448.899536	1202.257846	1109.386214	1093.925823	270.5621332	3053.562093	3556.172223	945.248509	673.5427377	1793.985509	1509.018451	1236.085523	561.156963	748.7740701	1204.29871	1724.184318	1823.395384
1.16_471.2318m/z	471.2318269	1.1608	neg													607.133942	565.3368603	645.6785278	298.0916048	662.8568119	462.7313976	707.5711892	2466.092416	1794.922334	813.8122764	415.1308804	984.5703307	346.8393627	267.9489426	129.6246841	428.6355322	218.4618239	144.4320817	299.790713
1.16_473.2463m/z	473.2463429	1.1594	pos													2654.455747	3976.748711	4229.454307	2211.131487	3166.383032	2966.577911	3697.275907	10688.16684	7372.799339	4385.012553	3657.465273	4830.76976	1991.796232	2021.965523	1766.911655	1525.441835	1097.924057	1381.581517	1858.23049
1.18_120.0382m/z	120.0381771	1.1797	neg													67.51752979	96.04471342	91.79363629	78.946261	145.9757472	125.2368261	33.2193761	54.91803177	88.13226841	66.23104983	112.0650057	75.46457801	146.3962101	159.3280761	96.80332547	104.9959167	93.4944267	122.6997966	95.80663406
1.18_121.9426m/z	121.9425516	1.1797	neg													755.2407425	673.1545318	779.0509796	781.241979	628.8632264	903.4079524	753.2404654	707.1886976	756.1402046	651.8815329	708.084091	761.6069644	640.5083635	736.4669326	674.870004	796.3313155	875.6626572	694.2949203	828.1635599
1.18_131.0935n	176.0916633	1.1797	neg													1405.308178	1157.497078	1708.1914	1529.293433	1443.508536	1703.03849	1489.833419	1348.768409	945.2370321	1528.120548	1577.509111	1603.872184	1486.094492	1984.8568	1886.318753	1769.10857	1510.150235	1847.363407	3297.334794
1.18_132.1508m/z	132.150817	1.179566667	pos													6352.569498	7361.507842	7505.773327	6527.542654	6154.315357	6859.868364	6357.839554	5414.484741	4428.225953	6121.498345	7132.364431	6370.659672	7835.479584	6517.919199	6920.368015	6434.893689	6586.712561	6261.701898	8008.634631
1.18_134.1082m/z	134.1081753	1.179566667	pos													4710.424779	4930.216092	4607.818539	5246.230408	5494.755794	5617.438355	5006.665592	4192.464977	3799.963791	4737.773762	5389.768533	5161.715071	5767.869061	5244.998749	5732.571239	5650.548095	5606.16581	5458.113653	6245.242525
1.18_144.0408n	287.0703575	1.1797	neg													2062.819921	2142.515632	2176.772442	1906.93197	2121.365654	2072.753991	1665.339352	2233.022197	1450.924822	2045.55132	1630.947027	1824.897116	1681.938347	1323.61499	1643.979523	1486.203321	1447.166422	1620.743548	1764.424385
1.18_159.0650m/z	159.0650391	1.1797	neg													974.6268689	582.9301882	827.5684929	642.6885657	601.0354587	862.6280074	624.5836701	773.1504419	914.3938342	670.4788509	769.5432883	870.6932535	803.0493549	730.6873696	669.6164723	803.0102051	769.9529752	573.0498564	886.9125058
1.18_164.9558m/z	164.9558237	1.1797	neg													21191.61182	23769.20227	23875.65007	26495.29022	22102.69862	23050.67348	23580.29649	23870.78647	24265.74764	22099.34225	27192.41424	25204.52522	23505.25949	22827.5047	23100.60015	26153.16698	23150.32473	23593.17059	21896.08855
1.18_167.0338m/z	167.0337757	1.1797	neg													380.0392544	355.6355173	446.858761	184.7173939	151.821797	269.3652824	152.9174189	289.7445403	793.8858808	159.8343782	174.9988266	644.0047116	364.7798133	345.7712065	315.0271955	337.8417841	305.0292613	268.7007251	352.2506135
1.18_172.0603m/z	172.0603406	1.1797	neg													625.7612667	815.7309404	804.5869246	1118.088252	510.0494831	714.0345981	520.1725387	528.8893281	305.6669537	487.519667	543.6790188	520.3594751	669.0392229	648.6275592	820.1184459	706.4788709	900.9227061	1087.018815	1120.539885
1.18_173.0920m/z	173.0919728	1.1797	neg													1712.826699	1752.261475	1635.335775	794.4017317	3003.978193	1025.834043	2185.657328	320.1727953	448.0376485	2881.9932	1366.806106	490.3127921	2392.333171	3181.860385	2243.443067	2202.114327	2214.96779	1158.340424	2062.951569
1.18_174.0760m/z	174.076037	1.1797	neg													1503.146264	1329.645876	1363.171914	1071.239557	3109.620969	3784.599538	973.7272728	1726.519232	1505.284966	3751.225374	733.4924805	1136.670313	795.9694854	776.9325613	838.8686921	845.2283881	1106.358187	1102.135976	766.9827572
1.18_176.0656m/z	176.0656251	1.179566667	pos													22454.76934	22908.93353	22378.80224	20579.07425	21687.8823	20501.76673	20311.50748	20496.88656	18800.2404	20028.0852	21157.03776	21001.34123	23120.00523	21185.41167	26691.28127	23533.03332	23176.98467	25793.44579	26210.8866
1.18_182.0999m/z	182.0998888	1.1797	neg													761.798114	500.4651525	694.7519722	586.8450084	633.2901798	455.6908982	548.6512866	530.5992077	575.6164095	578.0689034	713.314689	708.4527527	754.1459231	756.5892529	702.7868392	840.2574652	673.4386465	808.2329943	826.9662364
1.18_190.0423m/z	190.0423394	1.1797	neg													2155.75712	1878.51398	1987.92091	1716.701373	1954.708805	1610.998537	1970.281681	1809.936235	1531.775895	1741.44423	1900.041536	2068.601697	2150.728553	1848.770373	1908.304707	1793.561823	1973.208518	1748.347836	2387.640845
1.18_198.0738m/z	198.0738345	1.1797	neg													131003.5573	126400.602	132942.5597	124305.2613	126081.484	124442.9543	127046.5625	115861.4638	104565.3222	130284.458	141011.812	116243.8649	136939.1269	129873.8843	127632.6342	124565.3361	133416.7262	150892.2877	156847.8026
1.18_202.1075m/z	202.1075417	1.1797	neg													292.4517916	220.6116477	228.9275129	356.3930744	113.5641137	269.1701027	244.4356854	699.3251305	991.5032705	244.4639165	265.3584796	283.1242283	224.7334186	257.617545	113.6856818	155.0903577	217.9156592	201.7583271	213.1607896
1.18_214.0478m/z	214.0478265	1.1797	neg													2014.935962	2374.429944	1488.058052	2082.374638	1671.800116	2065.964062	1844.390266	1807.05177	1643.08768	1961.677152	2021.617523	1802.844295	1768.647053	1758.857008	1568.460038	1677.142119	1730.260891	2023.51968	2271.690117
1.18_214.1303m/z	214.1302528	1.1797	neg													676.2605601	480.4912014	855.1638285	580.7165658	754.5819738	671.8646596	646.0188611	490.9419438	338.2050995	748.1247888	514.0308184	763.8789345	833.7766837	929.9225443	724.7479958	651.7521267	621.47396	767.8823843	1172.808506
1.18_215.0469n	429.0939891	1.1797	neg													47673.60561	46192.99296	49020.00265	48747.52171	47516.10394	46177.82651	51321.79976	43174.93872	40404.59685	46896.9006	48999.46288	43590.88268	56993.05353	51558.59296	47088.13373	51627.30095	50804.34028	53918.00495	57854.85944
1.18_216.9277m/z	216.9276545	1.1797	neg													1879.103726	1805.547284	1796.431989	1947.872165	1603.786172	1556.633657	1578.678561	1429.995188	1576.603575	1438.540113	1689.022611	1747.336283	1915.718194	1991.232631	1724.422444	1851.650334	1909.206927	1474.353847	1694.636209
1.18_219.9826m/z	219.9826257	1.1797	neg													868.3768121	605.7008647	783.5974933	506.9776864	597.6724548	707.5090125	500.9174052	812.6614343	687.6529076	480.1393077	627.7025715	901.0015778	901.7402917	783.8944269	698.67	787.742437	929.8359199	407.8554105	933.1521059
1.18_230.0116m/z	230.011597	1.1797	neg													987.015868	928.6736653	1052.350586	965.9012981	1034.844561	837.5518517	988.9047519	923.5457373	851.7478186	1082.640719	911.7107447	845.3931518	938.96501	923.7711281	989.5532466	844.5505813	811.1528259	954.0541752	1096.965328
1.18_232.0263m/z	232.0263466	1.179566667	pos													16935.79821	17193.21651	17971.60953	16248.0081	17895.35165	15532.71989	15150.7229	14695.28481	14023.13885	15735.64357	15589.94994	15188.59452	17426.76193	17169.41698	18849.55765	16598.40267	17701.75762	19601.54923	18827.008
1.18_235.0752m/z	235.0752437	1.1797	neg													478.1176063	376.5889957	397.1203037	287.196768	376.2949099	298.4999326	399.1097968	67.7728139	103.9700211	421.3128174	376.652646	264.7226245	292.6172932	616.0799815	318.6567699	384.0500061	447.8336627	312.2674611	406.0788745
1.18_242.0641m/z	242.0640655	1.1797	neg													710.4324571	645.265675	712.8761323	610.7160521	953.0519702	1067.070275	454.1927524	764.7954147	648.6721539	1159.14789	449.4054898	580.0770956	455.581019	542.6706697	509.3293613	411.4450363	454.1535108	624.5538473	525.0793691
1.18_242.1006m/z	242.1005738	1.1797	neg													4931.721116	3990.918352	4990.789072	4489.635463	4998.630703	5566.800545	5768.355935	4346.205692	3641.584819	5389.116737	5019.272368	3876.246817	5256.949754	4814.43193	5212.855138	3824.280768	5187.672262	5464.523581	8113.097167
1.18_250.0364m/z	250.0364374	1.1797	neg													1747.211449	1198.733681	1601.544753	1405.581785	1232.056646	1525.128017	1336.49579	1574.261124	1185.359072	1376.137194	1331.698097	1625.713044	1392.56334	1685.455105	1218.182138	1311.958756	1640.711663	1397.734672	1682.324203
1.18_263.9934m/z	263.9933639	1.1797	neg													602.1235199	615.0687602	734.9411621	568.3219449	684.6486576	306.542522	513.2878712	472.4069964	474.8834254	682.3619878	637.4924304	651.7215116	482.7098438	608.8151266	599.2392787	563.2027398	589.3566674	684.256282	657.6719487
1.18_264.0548m/z	264.0547601	1.1797	neg													2236.559659	1971.019545	2050.150467	1839.659592	2300.192845	2961.227186	1561.497034	2139.342289	2044.506591	2828.665125	1952.33539	1729.731006	2283.756727	1938.692835	2444.211629	2488.944755	2045.092116	1664.878632	2557.854188
1.18_265.9888m/z	265.9887563	1.1797	neg													26027.05965	21420.68017	22120.18419	25136.24228	23334.11918	21439.77636	23466.49711	22614.61411	19609.44467	22161.81695	24180.53534	22694.0431	25519.66016	23468.36835	23616.44794	22951.92683	24902.35904	25909.36863	21676.02743
1.18_266.0621m/z	266.0621441	1.1797	neg													55044.58407	58509.67994	61845.38054	58959.54453	54624.92218	58005.15549	60042.67806	54002.37488	50159.76407	59004.33828	64472.20145	55940.98359	63303.40567	59960.43379	58433.1767	61335.93173	61213.78567	67224.17943	69413.22698
1.18_267.9858m/z	267.9858014	1.1797	neg													4154.936648	3939.230504	3675.027277	4289.286456	4173.588218	3430.141495	4514.589789	3426.540271	4092.131539	4083.994136	3978.600291	4297.713732	4068.993122	4330.082008	4606.875253	4433.793949	4882.517368	4097.801889	3854.929944
1.18_271.9772m/z	271.9771708	1.1797	neg													325.9774329	195.3302178	273.9055939	256.9967535	251.3318279	96.71984314	0.000297236	222.628455	138.9890054	144.568909	188.5502931	232.9561296	343.055402	241.4932888	241.6851556	217.9611437	119.4267226	380.364057	266.9353683
1.18_272.9778m/z	272.9777889	1.1797	neg													1371.146582	781.2832196	1098.384514	1036.509162	1123.049468	956.874176	1017.225345	888.7934727	978.3198757	719.28776	1192.562076	998.3520128	1080.700211	877.306861	1014.398772	1018.075911	999.3726276	1134.831832	1138.536439
1.18_274.0221m/z	274.0221417	1.1797	neg													4283.14252	5553.220464	5266.067956	4573.501496	4928.690963	3898.282256	5353.993501	5610.568728	7858.733559	4315.137512	5215.39648	5964.375994	5020.944853	5043.747705	4943.108777	4492.187046	4986.559419	4170.250883	4937.55662
1.18_281.9744m/z	281.9743617	1.1797	neg													1527.170185	1182.880516	1268.763715	1431.72887	1500.702648	1182.903438	1025.934271	1237.736095	1371.732029	1442.992321	1212.812404	986.8469459	1232.716835	1088.989382	1139.328984	1208.679399	1396.631074	1240.764982	899.0817936
1.18_283.0522m/z	283.0522308	1.1797	neg													2730.993714	2194.048257	2712.010687	2480.294647	2291.8213	2460.699114	2262.41409	2035.090664	1991.057162	2562.413967	2764.753443	2066.189808	2507.633471	2643.499651	2011.272815	2148.447066	2485.539521	2930.516864	3247.174888
1.18_283.1638m/z	283.1638193	1.1797	neg													37489.53346	33674.24014	39369.97828	32998.76842	38865.3109	39175.42621	37759.34058	30816.43643	25196.29457	34867.097	38973.65825	37583.60873	41268.7901	36227.53419	36986.58697	37876.46978	39769.04242	50155.96321	53698.73122
1.18_284.0255m/z	284.0255416	1.1797	neg													2433.949619	2150.19287	2248.890135	2078.006691	2355.648069	2369.602206	1959.169854	2412.533746	1804.067591	1760.554687	1543.445019	4003.471221	1791.856924	2081.413462	2008.720697	1786.333214	2256.516336	2208.051332	2532.023337
1.18_284.9157m/z	284.9156871	1.1797	neg													1016.040185	1115.491722	918.1175579	1347.911148	1040.855512	1016.150422	1126.715789	909.0831573	675.1746496	1097.69652	1379.924815	1066.908262	1095.022147	1087.090187	1174.881422	1244.932658	1345.229952	964.4942108	976.8643964
1.18_285.1693m/z	285.1693352	1.1797	neg													339.7127644	357.5488462	289.2805176	256.8052265	318.5627675	333.1906011	354.8235912	183.0289878	289.4954041	213.8872744	324.6822064	368.6824361	350.30041	166.7494215	362.4537064	237.2008224	425.6928711	431.8155675	242.0399133
1.18_287.1784m/z	287.1784351	1.1797	neg													848.4301621	759.707517	705.1681383	821.0286827	733.7709704	841.6125759	1101.520852	402.0747131	137.2029393	683.1118638	604.8716604	821.626153	758.4007581	921.6505113	1020.217662	768.1858372	1019.583138	1006.273885	1371.713102
1.18_293.0079m/z	293.0078647	1.1797	neg													6861.881886	4971.2711	6969.050473	5807.29386	5835.170504	7315.339361	6335.732963	5237.584911	5001.146956	5287.79702	5091.173067	5593.577975	6138.377482	6486.928689	5340.998962	5233.666113	7726.986037	5199.69547	6943.802208
1.18_297.9738m/z	297.9738496	1.1797	neg													903.235033	909.025338	693.0243397	1029.920695	955.3849568	713.4284614	783.9898397	984.1153414	793.286472	777.5898066	931.7694043	857.5003967	896.8355102	846.8499937	853.9017393	763.5913876	773.4602432	909.4643113	839.8952416
1.18_300.9322m/z	300.9321774	1.1797	neg													10883.89479	13165.77488	13705.54198	14137.19055	12581.92571	13991.22271	12134.69727	10910.27092	9616.992375	12978.52267	12709.65937	13051.12007	13574.39177	12268.39187	10827.73292	13373.62599	13164.9113	10951.15384	13570.58567
1.18_300.9731m/z	300.9730856	1.1797	neg													5758.908654	5691.548607	6421.71945	6099.55513	5508.870229	6129.779047	6378.112413	5321.900678	6130.781824	6100.389864	6183.810412	5818.678747	5572.986373	5434.741978	5263.757988	6118.790097	6537.409128	6437.942264	6558.877077
1.18_315.0051m/z	315.0050685	1.1797	neg													796.9131934	765.8639841	820.5292282	736.5410562	557.9991557	609.7491237	699.0927067	572.1869018	390.6640995	510.2869506	219.1137171	780.2833399	627.5013641	536.1267302	498.8246646	636.4656624	602.4351947	647.6164459	792.8130632
1.18_316.1081n	339.097364	1.179566667	pos													12153.64133	11781.56287	11046.22819	11822.02366	13503.58568	10643.86365	12851.3368	9148.076677	9671.128784	12153.35853	12925.17518	11383.59888	12156.03162	11314.85337	11935.83583	11515.0471	14113.23393	14170.76182	15712.81399
1.18_319.0358m/z	319.0358437	1.1797	neg													4237.32781	3563.183172	4169.06179	3904.301538	4339.432198	3781.044399	3984.653401	3354.985574	3041.38772	4009.454993	3678.341976	3368.67367	4480.815486	3875.612583	4702.216598	3204.47167	4517.761764	3942.723649	4624.089705
1.18_322.9043m/z	322.9042585	1.1797	neg													1050.051652	1443.073747	1139.274162	1031.145671	832.958346	809.6730385	1292.748867	1107.700426	1064.737401	780.5510229	1318.620737	1370.14829	1111.555035	1069.620095	1279.281659	944.2324321	1091.282519	1005.844636	533.3310275
1.18_327.9888m/z	327.9888196	1.1797	neg													4146.150456	3585.19512	4112.942866	4059.947468	4036.045908	3320.280653	3950.300311	3506.051861	3086.377839	3649.510179	3643.119133	3541.023349	4822.073768	4721.674894	3912.484055	4240.511876	3955.13599	4199.673357	4299.75561
1.18_329.1416m/z	329.1415755	1.179566667	pos													7433.700847	6725.147931	8011.796539	7731.03291	7015.715182	5820.85713	7792.879743	6079.764944	5593.041914	6255.284507	6537.046658	6508.267557	8969.359727	7427.743218	8879.527135	7712.359487	7065.970122	7898.895711	9911.11738
1.18_331.0360m/z	331.0359885	1.1797	neg													2380.944664	2254.891657	2399.016965	2061.973065	3111.758857	1525.3652	1834.941342	2252.423619	1178.733723	1462.452038	1571.738866	2756.893726	2377.080323	2146.185417	2086.269894	1738.84504	2612.483671	2772.440571	2609.913412
1.18_332.0438m/z	332.0438001	1.1797	neg													2046.607369	2005.597456	2078.229071	1742.372339	2007.743007	1698.368735	1136.484415	3203.682981	2751.256735	1657.302169	1480.324628	2531.144584	2224.830553	2125.541994	2044.610942	1821.064723	2003.324968	1782.620733	2488.909027
1.18_333.9763m/z	333.9763313	1.1797	neg													3621.502452	3999.698536	3534.841539	3510.958238	3916.71325	3621.073352	3925.143668	3334.094041	3792.151107	3422.460689	3446.46486	3375.635107	4485.831654	4448.602567	3672.445875	3865.889476	4264.580882	4620.220485	3801.813581
1.18_334.0497m/z	334.0496773	1.1797	neg													37059.25594	37068.19606	40791.19148	39691.56708	37904.67506	36391.16726	38719.53492	35391.67185	35144.90004	39080.73316	40745.79779	34383.6659	42575.74702	39240.71096	37821.76271	39032.54492	39166.96862	45808.62796	43231.91365
1.18_340.0066m/z	340.0066242	1.1797	neg													1591.073758	891.9547835	1532.488354	699.6898397	982.4124607	1161.317913	1143.216155	972.7435492	890.4773638	730.5833524	1235.564769	1029.964515	1106.331703	1049.519149	1246.692172	1160.250795	1147.208712	1346.982339	1503.063539
1.18_344.0049m/z	344.0049179	1.1797	neg													25744.91883	23545.13573	26560.51088	26665.21424	24316.19451	23714.32734	25418.20392	25802.30248	26597.54874	25634.57254	27324.89322	23200.85533	26683.64752	27303.34502	25266.83637	23846.98532	26438.01158	24985.91955	23980.59626
1.18_349.9627m/z	349.9627085	1.1797	neg													2002.226298	1734.608262	2129.188811	1617.834814	1850.703832	1594.585706	1309.720836	1966.309485	1527.408631	1886.853129	1817.226481	1472.190653	1789.469814	1873.530595	1692.944367	1235.661843	2232.147044	1590.637746	1206.558658
1.18_351.0399m/z	351.0398964	1.1797	neg													2969.397626	3508.390118	3231.6551	3664.372495	2694.714251	3011.520621	3882.981563	2295.333692	2843.219883	3063.049227	3084.77723	3142.843381	3571.276568	3097.784701	3222.474637	3455.12518	3424.657601	3495.837541	3489.781252
1.18_353.0749m/z	353.0749119	1.1797	neg													4707.060006	3125.123615	4512.637308	4972.575984	4676.575299	3414.487926	3102.48944	3658.009862	3286.630263	4510.200282	4542.897939	3385.475542	4749.090606	5006.099885	4007.915589	3810.804113	4604.471634	4296.496978	4827.09688
1.18_359.1114m/z	359.1113699	1.1797	neg													5313.901887	4907.972399	5746.521102	4295.791788	4771.743791	4723.583882	5437.065704	3149.031024	2470.17242	4571.609569	3324.419174	4734.861058	6497.044078	5741.587079	4867.695469	5138.668855	5618.443402	6324.649298	6674.47439
1.18_384.1178m/z	384.1177826	1.1797	neg													2531.823288	1993.47962	2814.401707	2759.262402	2141.007192	3024.19811	2679.281021	1734.252728	2110.848931	1797.138706	2351.403851	2228.484638	2257.06973	2776.141275	2110.296031	2555.339437	2757.307032	1822.500741	3272.282004
1.18_386.0214m/z	386.0213689	1.1797	neg													3627.582507	3796.981405	4224.230869	4546.619678	4305.970316	3425.045608	3993.498442	2671.163432	3724.766171	3426.111824	5462.484975	3326.931504	4880.216231	3991.425841	4187.747554	4123.5356	3911.667651	4470.297315	4521.647966
1.18_386.9872m/z	386.9872361	1.1797	neg													5358.058783	5567.995776	6140.268513	6884.080237	5322.332159	5562.217505	5236.131217	6660.603984	7083.309681	4855.542526	6785.547016	6909.592453	6249.999369	5610.373142	5446.169684	6413.864861	5653.913243	5053.864852	5923.429992
1.18_401.9640m/z	401.9639527	1.1797	neg													2425.646428	2339.622093	2306.416695	2832.260612	2640.357023	1953.657141	2517.31759	2311.084411	2697.928051	2523.698348	2840.593198	1667.627497	2369.819906	2279.776757	2624.53199	2721.127272	2027.180726	2302.581811	1970.000812
1.18_402.1097m/z	402.1097064	1.1797	neg													2035.486809	3138.52581	2624.328345	2089.172745	2581.446659	1561.111479	3257.046328	1596.242194	1779.592866	2664.340336	2760.391456	2865.342472	2803.687576	2942.502749	3305.843199	3213.678628	2165.639468	3897.382237	3877.332386
1.18_404.1250m/z	404.1249586	1.1797	neg													4897.674524	3938.457576	5781.390477	3624.880571	4262.15923	4585.601352	4944.857138	2718.028242	2190.728781	4310.857182	2726.69612	4655.440661	5649.390427	5065.444437	4892.508118	4078.587628	5271.253085	5693.027229	8538.937484
1.18_405.0920m/z	405.0920126	1.1797	neg													961.2350312	1121.730917	1030.55672	1319.884239	1072.628829	1108.418298	1434.071344	1060.459973	653.4591116	939.0530087	910.9538002	1040.240063	1221.436798	1109.343973	1027.22778	1126.822234	1217.273043	1240.110783	1056.145391
1.18_406.1042m/z	406.1041895	1.1797	neg													68897.60382	58842.11158	65285.409	71682.55692	62903.36408	62458.72558	70103.73245	56108.0761	53302.79182	66502.96627	64628.55418	57784.0233	71636.57132	65463.36839	64055.92868	68970.04977	60029.27575	75793.09328	67293.37959
1.18_409.1097m/z	409.1097308	1.1797	neg													1040.143468	972.7310773	1322.451524	1212.951436	802.7942952	1062.068397	1120.860739	882.9135164	798.7870445	973.1884466	1017.215257	1005.666787	1254.774841	1040.571517	1073.112869	1085.346805	1022.225359	1281.549659	1441.810989
1.18_412.0715m/z	412.0714569	1.1797	neg													1502.458994	1599.601513	1441.317657	1502.324089	1591.022414	1714.960308	1916.568302	1388.856101	1244.780994	1485.198296	1593.613123	1667.880047	2099.614621	2008.452076	1430.555622	1801.249147	1659.853825	2157.812225	2540.38098
1.18_419.0652m/z	419.0651925	1.1797	neg													6456.585791	6328.283728	6412.170662	7630.719435	5356.129324	5614.827846	6591.30753	5670.038978	6590.005009	5854.73364	7265.671594	6895.62323	7477.087583	6722.709491	6252.948022	6134.787471	6012.993405	6995.663725	8364.500835
1.18_432.0958n	477.0975338	1.1797	neg													4013.688084	3629.967232	3825.922123	4045.773938	3737.650895	4009.416687	3381.283581	3399.402583	2717.492187	3554.853349	3191.033046	4201.273693	3293.326952	3286.237746	3250.177993	3939.937509	3149.372071	3996.20033	5099.259161
1.18_435.0498m/z	435.0497743	1.1797	neg													1803.613109	1624.675972	1548.990789	2074.402708	1172.511581	1114.595947	2013.367207	1809.366571	2333.393679	1092.602583	1909.447009	1141.954073	2040.379558	1515.340011	1258.173179	1499.614291	1431.35101	2155.305996	1875.483326
1.18_436.2403m/z	436.2402944	1.1797	neg													2477.77269	2999.432618	2804.645251	3307.985233	2973.30507	3229.260612	3282.639407	2426.54897	1653.916921	2794.174364	2766.642529	2673.810636	3222.329545	2662.699754	2878.98985	3550.731592	3520.819667	4279.751741	4710.99158
1.18_445.1881m/z	445.1880503	1.1797	neg													23084.61911	22805.5052	23722.7941	19951.24836	22257.24085	24769.62163	23409.66497	12056.04276	9842.660501	20758.43902	15577.3017	19526.98658	26634.85297	24489.31327	22459.31098	24209.72722	25231.63281	29442.15195	29996.92638
1.18_446.1957m/z	446.1957366	1.1797	neg													48535.3444	41703.1109	51803.55987	43885.10495	49631.86789	43891.51903	44835.6486	40278.67164	35292.10519	46145.1175	46143.55119	43670.51149	55117.81886	50479.93988	45114.00399	42355.78765	48607.50488	55683.39903	66655.96644
1.18_447.2025n	448.2097769	1.179566667	pos													32186.13761	29825.4963	30496.32479	32853.26588	35332.66107	25638.00208	25125.95044	21669.55714	18768.08971	24135.58404	25707.12386	25636.7717	38277.89199	29736.40104	35586.5559	31657.22504	36093.20688	40481.56126	49723.15781
1.18_462.2403m/z	462.2402778	1.1797	neg													38728.65683	35235.43725	39611.06377	42414.49225	37572.01497	32750.89262	38828.3025	34741.81939	31559.06857	37299.29538	44108.35616	35478.08791	46466.51159	43805.5277	39320.50387	38402.53101	40036.30711	44678.28142	47455.13017
1.18_470.0243m/z	470.0243	1.1797	neg													6867.989131	7735.050946	8490.960175	8414.846208	7241.400362	7507.698802	8504.687057	7234.818765	7403.427333	8152.419599	8363.414658	5641.206634	7556.962652	7888.299577	7654.69316	8542.810372	8389.552141	6804.768999	7579.377758
1.18_472.0761m/z	472.0761012	1.1797	neg													6399.017315	8116.949264	6488.675618	7569.237276	7307.541523	6211.453771	7510.884392	6327.50917	5426.699443	6868.110621	7761.006325	7063.011564	8078.264531	7170.309732	6418.613714	7659.751725	6758.575103	9696.701163	9300.130526
1.18_481.0657m/z	481.0657342	1.1797	neg													2888.268272	3341.279226	3116.675853	2326.730126	3071.723301	2333.707063	3136.092813	2504.38893	2402.227438	2427.545584	3441.590898	3026.557204	4300.353995	2999.255388	2276.670891	3400.939917	3047.170503	3955.558932	3775.131849
1.18_481.1648m/z	481.164822	1.1797	neg													3385.04497	2327.747586	2975.767993	2979.094359	3382.862666	3330.120989	3456.508849	2158.289955	1705.377886	3221.41795	2352.705839	2943.898529	3269.303125	3510.205483	2435.734134	3285.90442	3249.377479	4321.618552	4017.008264
1.18_487.0528m/z	487.0528365	1.1797	neg													4996.718946	4323.611683	3659.044766	4639.838273	4822.723155	4069.605689	4673.253176	4183.074402	3515.799128	4459.098181	4831.878803	3161.393964	5572.851269	5262.367832	4488.773134	4850.820002	4759.288664	5041.823878	4178.348665
1.18_487.1262m/z	487.1261714	1.1797	neg													12199.62972	13165.48491	13405.10388	11897.99442	12507.18562	12280.70727	14306.92431	10493.34417	10670.16529	12229.52887	13482.43198	11818.43671	14691.20323	12853.61342	11931.51242	14422.88765	13157.95158	16614.80486	16856.44348
1.18_497.0818m/z	497.081808	1.1797	neg													22906.83573	21939.80938	25213.24452	26044.66823	23224.08458	23011.37003	25735.2662	22845.21297	25148.84128	22343.14334	26530.03311	20583.28093	30039.75356	26030.38272	23275.81502	25633.63982	26461.26884	27147.34215	27904.00586
1.18_504.1166m/z	504.1165646	1.1797	neg													1271.809558	890.550738	1397.345415	1083.174899	1447.846853	1613.602931	1435.241207	583.9487471	899.9054548	1259.09169	817.923649	865.6652291	1481.998823	1204.421861	898.6983749	690.6702335	1347.454715	2027.123502	1601.188778
1.18_504.2281m/z	504.2280828	1.1797	neg													4434.871917	5317.214857	6025.96772	4375.892149	5180.748478	6171.152228	5786.242654	4101.644058	3258.319176	4882.813206	5722.015176	5152.378097	6522.854097	5367.288235	4761.256851	5948.811947	5447.042274	8308.371494	7992.327609
1.18_533.2009n	514.183028	1.1797	neg													26237.38233	24744.61753	25205.43878	25532.58881	26474.70803	25582.88291	26760.87687	22566.89507	19026.63823	22865.75341	25425.81547	25767.35108	25650.3517	25284.19379	25037.62119	26549.01818	28095.43046	33175.35334	35318.58786
1.18_538.0118m/z	538.0117719	1.1797	neg													2580.288433	2737.162904	3119.693138	3394.816182	3087.348266	2910.183482	3472.470409	3139.403089	3439.875789	2911.241937	3473.248649	2528.077959	3566.033313	3627.990301	3255.108241	3557.199732	2937.034522	2525.339011	2912.980247
1.18_540.0639m/z	540.063889	1.1797	neg													3159.490726	4167.301569	4221.134733	3888.976319	3448.653339	3750.801904	4018.360355	3674.082352	3733.632838	3871.671608	3361.708347	3709.008634	5035.29168	3922.152701	2963.507888	4368.475605	4568.320567	4435.478045	4816.959618
1.18_542.0797m/z	542.0797218	1.1797	neg													3679.476376	3424.542749	4102.819475	4276.845481	4621.299398	4034.26983	4330.954933	4650.847756	3931.555097	4224.429671	4131.385954	2489.864157	4968.016365	4242.744511	3796.160691	4529.551624	3829.849968	4362.069693	4670.36632
1.18_565.0691m/z	565.0690552	1.1797	neg													11240.3196	9716.220228	11288.90868	11931.87909	11753.28006	10463.62891	12758.74347	10627.93446	12889.08776	11168.1191	11570.135	8401.203604	13801.19347	13200.27502	9974.441279	12052.15898	11113.31534	12704.9962	11698.19613
1.18_571.0338m/z	571.0337929	1.1797	neg													1241.000343	1277.135188	1064.622627	1274.688346	842.9913422	647.6346926	1226.00028	152.0001641	519.2177883	769.9514425	324.6462807	516.4329782	818.9300261	868.0176529	1176.357334	1197.45599	854.454134	1242.05941	1545.553292
1.18_572.2153m/z	572.2153411	1.1797	neg													6169.806464	6303.658996	6712.58076	5698.020334	5270.395619	5684.844042	6894.690311	4385.81163	4426.140666	6142.665311	6410.888125	6605.738688	8026.742986	5787.160181	5696.743065	6957.806594	6792.490946	9238.331701	8511.810152
1.18_574.2875m/z	574.2874698	1.1797	neg													14634.11003	14761.09893	15383.1242	13619.29263	15265.21641	14141.34149	16137.53645	10912.80996	8451.89315	13812.86248	14901.30595	13300.5979	16514.82497	15121.09237	13376.47843	15186.85246	18118.40747	20968.12323	21550.12042
1.18_582.1707m/z	582.1707496	1.1797	neg													19409.56337	18336.21304	18614.16869	17894.51581	19439.49145	18927.62205	22044.24764	13649.27669	13472.77855	17956.03495	17248.9207	17837.42474	23760.4408	18968.4364	18239.05009	21303.45664	21396.0317	23832.97931	25585.74512
1.18_622.2594m/z	622.2594225	1.179566667	pos													6519.408413	6178.757508	5850.421323	3534.211295	8478.316349	4550.217714	2424.837731	4077.452587	1405.69077	3041.247811	2158.578832	9580.616511	6544.477879	4079.393305	6755.35188	4656.19409	2486.212644	4677.162675	10911.64222
1.18_627.1687m/z	627.1687269	1.1797	neg													3477.550259	3991.995085	3975.437717	4600.545651	3812.225757	3381.781944	4235.270887	1995.337458	3203.656325	3465.750253	3612.648334	3328.23274	4534.372413	3342.47886	4856.234788	4913.156983	3765.554151	4850.569879	3972.533988
1.18_633.0564m/z	633.0564256	1.1797	neg													3708.628378	2951.670987	4236.681076	4409.425714	4169.026338	2808.075192	3820.884322	3480.460924	4707.666911	3643.246196	4990.777565	2682.369682	4124.639521	4171.336273	3370.111341	4031.212955	4094.853129	2550.029254	3911.439627
1.18_640.2027m/z	640.2027136	1.1797	neg													4098.381065	6390.707847	5014.129333	4822.365212	5536.268996	6615.882731	6389.067053	4019.041908	4793.26859	4986.487532	5695.119858	5073.559535	6297.43825	5713.565628	5143.695085	6497.334021	5783.288537	6678.044006	7290.18902
1.18_645.2496m/z	645.2496485	1.179566667	pos													10449.16332	8031.615874	10916.92108	4503.527751	6886.929501	6927.394504	7529.277614	6167.024855	5009.626719	7011.506826	6228.008773	7787.445461	7723.968468	8003.334584	10315.1006	9514.187148	8777.724323	9476.473864	12716.96402
1.18_650.1584m/z	650.158445	1.1797	neg													9371.306372	9145.529144	9743.982093	8694.041481	9147.229589	9884.523349	10014.23398	6710.547776	6556.695645	9280.818736	8983.417809	8549.762023	11639.39542	9886.901204	8794.515266	10764.56542	10615.43845	11882.04549	11139.83719
1.18_650.2286m/z	650.2285656	1.179566667	pos													17280.95947	29317.26888	30542.5954	26448.37558	24095.98979	23849.561	21795.62628	21197.56186	22149.5992	38389.91949	26186.76469	25248.66437	22088.59633	27255.22823	8937.684171	14043.68438	19255.12303	25493.36584	24165.55671
1.18_680.2774n	725.2921976	1.1797	neg													2919.578742	3820.144243	3443.911656	1741.232178	3362.072259	2978.193843	4076.900347	2283.384772	1652.086359	3947.814426	3035.253642	3155.160605	3704.456055	2930.738749	4251.130378	3691.485129	4128.842121	4416.013933	4413.325115
1.18_708.1901m/z	708.1901202	1.1797	neg													2161.377906	3496.070842	2416.692688	2482.560319	2909.225613	2798.45844	2551.387077	1883.612144	2444.314958	1921.490811	2681.022091	1980.325109	2984.027629	2514.894003	2263.477426	2287.588001	2792.123617	4074.893748	2987.111021
1.18_712.2575m/z	712.2575408	1.1797	neg													1800.94839	2297.242399	1713.469705	2098.913268	2604.622872	2853.798151	2492.635881	1970.589485	1276.712186	2501.400699	2075.608559	2005.240274	2154.357964	1946.046089	3101.692646	3326.902399	3016.201132	3533.420261	2931.455489
1.18_718.1456m/z	718.145613	1.1797	neg													4975.439554	6323.099622	5469.990766	4996.009438	7174.469072	5429.643305	6898.527097	4975.988493	5315.694085	8260.430785	8062.907162	3555.854386	7000.422485	6299.319489	7472.18052	7450.535596	5830.003088	6001.241564	5675.587817
1.18_820.3368m/z	820.3367714	1.1797	neg													3171.845597	4502.576617	3555.832704	2742.014229	3199.20685	4734.945051	4531.339523	2951.939769	2051.32348	3534.230022	4044.898169	3303.4155	4955.699944	3955.863924	2960.218535	5206.844513	4485.568744	6298.185818	5517.897742
1.18_888.3240m/z	888.3239653	1.1797	neg													3087.14279	2836.089189	2427.125957	2452.577758	3418.170261	3379.02778	4036.135749	1971.342758	2963.711705	1921.99492	4173.861361	2582.617533	3281.485922	4106.403735	4711.081645	3154.710706	3134.48641	3451.688133	3642.562726
1.20_104.9265m/z	104.926477	1.199216667	neg													442.6588596	407.3662337	564.9988054	491.9046994	382.7295034	509.7525787	354.8537255	477.3822886	450.0895687	411.9977439	434.0512006	575.9948446	471.1212242	507.9844844	379.5742842	483.9398421	540.3345627	470.3145055	537.1428195
1.20_139.0024m/z	139.0023628	1.199216667	neg													449.1930665	369.7927263	372.8527534	416.4207399	422.388706	249.937755	379.0019419	377.4588347	399.2527482	393.4030021	460.4881532	394.2036759	496.7508216	354.1431052	535.1272433	439.5472649	297.5689069	362.9217628	277.9610623
1.20_159.8926m/z	159.8926235	1.199216667	neg													43294.41216	44760.42605	43950.76766	45411.93117	45004.25997	46169.68916	46808.44855	45801.94779	46878.26767	45489.43298	47787.98184	44072.34513	43376.94455	43605.05468	44436.82572	46565.25683	43821.35188	44570.06645	43318.62833
1.20_170.0448m/z	170.044784	1.199216667	neg													156.3961982	115.0344455	126.4226435	59.80363958	55.92531443	78.65451475	102.1868959	135.4446372	136.3460796	86.82648449	22.2008983	58.11907778	71.76024504	39.17938622	83.03323846	33.81827722	66.80486289	47.0162694	61.51246257
1.20_176.0270m/z	176.0270115	1.199216667	neg													1426.130774	1460.54101	1415.029701	1036.893691	2402.002861	3173.1027	719.119615	384.4340678	288.2311121	3706.43114	846.2293026	1137.123216	1356.845897	1080.770071	1327.607344	1188.785321	1751.084756	1679.595717	1112.151989
1.20_186.8871m/z	186.8870783	1.199216667	neg													500.7489111	462.3878852	564.6682574	536.0584783	439.2004311	667.1253988	415.6106738	586.3127734	566.455554	425.1179442	552.9031051	578.9014451	461.0941236	535.7974727	489.3875889	561.665632	496.395009	585.1360081	539.4705161
1.20_188.1153m/z	188.1153332	1.199533333	pos													2389.419828	3235.269456	3650.752065	3028.462178	2630.637561	1645.005128	4098.464926	1383.006891	1459.411851	3557.362402	3466.841776	1114.66445	4215.528069	3183.062138	3314.708538	3613.300878	2547.771825	2781.552912	3326.09714
1.20_198.0131n	243.0120684	1.199216667	neg													2240.037944	2255.82304	2314.759346	2004.734409	3384.540746	5366.316815	1419.754657	868.2607006	576.7022305	6062.716545	1641.662201	1912.312392	2145.856941	1817.260914	2229.873338	2183.715414	2972.749133	2761.635791	1584.272362
1.20_227.8808m/z	227.8808181	1.199216667	neg													360.6148875	285.3996169	262.5798531	273.5714245	153.2928102	352.7516521	202.0683553	251.7287083	313.0754242	275.6775177	354.2507756	388.6714059	226.6187112	149.8117459	363.5388067	330.9660157	392.3983184	257.0917416	390.9821108
1.20_229.0316m/z	229.031569	1.199533333	pos													1643.809122	1972.316915	2475.37234	2890.874864	4393.530082	1929.358263	2176.194063	2186.2467	1648.902466	2092.550854	2452.49879	2680.367389	2078.131155	2598.0159	2200.573936	3387.130845	2983.593587	2431.007703	2823.052447
1.20_232.0070m/z	232.0069839	1.199216667	neg													1790.755129	1379.223432	1454.946866	1543.405576	2298.624953	1034.562489	1315.01228	2484.066705	1177.945884	1060.169988	1369.030252	2203.572897	1425.079165	1318.730086	1470.222733	1278.863387	1841.739251	1738.501714	1335.203424
1.20_236.9988m/z	236.9988058	1.199216667	neg													7046.857084	7958.882241	8078.053379	7681.259762	8576.775967	6751.591397	6136.971568	13188.97652	10412.98534	5194.813431	6754.855021	11608.14226	7111.646119	6417.244141	6204.838277	6470.399032	8196.158303	9052.963081	7387.568321
1.20_243.9900m/z	243.9900164	1.199533333	pos													9108.671794	9628.62481	9831.685083	10971.74655	13392.89433	6529.636457	8275.037496	14040.57938	7405.92268	6951.277298	8578.14945	12960.27733	10845.47899	8856.981671	9091.836734	9618.251318	9870.476936	12501.07982	9451.449715
1.20_245.9464m/z	245.9464315	1.199216667	neg													2208.36812	2387.914398	2309.232308	2225.706495	2568.253803	2213.805317	1834.413546	3334.264519	1977.125124	1846.841108	2348.414661	3249.494146	2399.941681	1927.229549	1939.610052	2033.361384	2282.869302	2389.962213	1908.700123
1.20_245.9905m/z	245.9905361	1.199533333	pos													237.3350601	321.7994727	431.3793182	354.0787303	226.2324304	0.000297236	381.3743799	616.2712452	0.000297236	146.4987951	0.000297236	315.7904321	444.8076423	0.000297236	132.8205524	173.4929984	392.1440161	330.6253585	0.000297236
1.20_253.9892m/z	253.9891744	1.199216667	neg													567.6068599	508.0025276	547.0925009	571.3673608	784.5484853	498.6638983	338.9712227	1215.147487	678.2672011	235.3506508	451.2538121	769.8168574	527.8725963	471.975118	432.243974	427.3033386	587.6011323	539.6244538	615.0165057
1.20_255.9598m/z	255.9598104	1.199216667	neg													3548.769695	3550.750503	3117.207859	2669.411531	4469.780683	2725.464836	4219.243062	2522.805485	2420.952903	5023.388411	3322.414119	2698.246009	3219.324254	3753.272279	4272.87359	3401.572258	3591.192948	3258.116727	2704.893716
1.20_259.0069m/z	259.0069084	1.199216667	neg													516.4655985	459.7267785	697.8858378	388.9212255	495.1034511	966.4230055	244.5119111	892.6606388	770.652866	1033.830552	132.71586	617.1511992	625.7236715	231.5620711	318.904013	448.7079961	619.6629813	520.4479318	137.2279402
1.20_264.9940m/z	264.9939651	1.199216667	neg													4720.512338	4442.159998	4268.909351	6538.328423	4822.883633	6183.367504	3604.234223	916.8954974	794.5214793	6913.350809	4871.076503	3487.360282	5259.844371	4166.903063	5008.689468	4366.84851	6219.3934	6416.472301	4019.980731
1.20_294.9835m/z	294.9834919	1.199216667	neg													675.0528256	793.5803691	925.622759	480.0145457	1024.247344	1448.083959	637.2790946	558.8571736	338.6045477	1570.971968	698.0420787	781.8937383	738.6952314	571.1399609	638.1587654	740.7161927	990.0281531	761.4352692	445.2275114
1.20_304.9866m/z	304.9865645	1.199216667	neg													3529.555701	4198.550918	4006.186863	4205.417284	4341.447036	3711.031433	2878.206967	7438.379832	5979.670226	2988.708621	3405.226724	6129.89849	4102.746342	3401.476707	3281.048873	3673.044828	4279.947981	4921.551123	3827.575852
1.20_332.1530n	377.1508839	1.199216667	neg													6042.484685	5423.867098	7825.275039	7603.985547	7304.458346	5310.925443	6221.259962	7354.469018	6161.771593	6984.366648	7867.487527	5846.924213	7859.754439	7925.27978	6426.649647	5599.571347	6203.213827	6909.325847	7828.406917
1.20_389.0029m/z	389.0028659	1.199216667	neg													3999.95847	4506.085827	4920.795982	4518.711249	4659.476391	4123.624722	3853.341033	5145.885449	4573.739613	4788.581811	4771.147949	4910.447428	4757.628637	4377.03506	4132.798057	4750.794643	4215.640566	3694.485936	4500.756747
1.20_399.0236m/z	399.0235838	1.199216667	neg													1020.324039	1159.225141	939.727804	964.6239959	1500.420174	782.7748551	715.6380266	1268.885291	702.4659997	777.673923	575.4893697	1173.026864	1452.257486	1044.035979	833.7416245	964.3920501	1428.461409	1059.03629	940.6596061
1.20_421.9480m/z	421.9479843	1.199216667	neg													344.8548025	612.6275113	593.0202228	632.3186723	331.6360384	900.992748	469.5062082	426.4722014	177.6659395	453.0820251	377.0004434	499.4435803	580.8372362	366.8077263	586.9669281	700.8535823	873.3639329	538.8646762	480.8388498
1.20_431.1783m/z	431.1783433	1.199533333	pos													4933.326497	6138.036113	4525.589203	5327.323841	5457.766107	3349.449087	7668.929535	1228.277153	1254.130327	5697.207108	4955.124762	3862.343355	5583.47076	4528.531047	4171.496989	4769.814867	5753.446429	4175.518993	7280.713362
1.20_456.9906m/z	456.9905783	1.199216667	neg													3051.811356	3252.484256	3290.016076	3478.516573	2788.857353	2876.292537	2875.914157	3741.897497	3629.746069	3158.818329	3623.060509	2554.51514	3391.335634	3307.105102	2753.561076	2942.752086	2801.413988	1895.07269	3255.200945
1.20_479.9807m/z	479.9806768	1.199216667	neg													19128.20562	17591.853	18988.84076	23321.50764	16703.91364	20767.88278	19683.87741	15980.42204	17433.90296	18526.73391	21091.66666	17264.18583	19447.63776	17027.00933	18757.12812	19067.59793	18587.38711	22212.93057	18088.26733
1.20_547.9678m/z	547.9678287	1.199216667	neg													1962.436865	2441.227004	2183.971512	2856.969583	2430.177183	2789.176425	2414.268266	2780.447767	3133.206693	2287.908956	2714.131328	2616.360288	1903.885466	2532.956882	2415.368751	1992.16308	2346.64373	1543.082926	1303.378504
1.22_118.0396m/z	118.0395524	1.220333333	neg													311.4457731	304.0938696	318.4648365	383.4606319	254.7677651	359.7335429	236.8444548	312.9544204	344.0840685	335.3045195	299.4155549	327.087808	320.5580485	459.0316022	326.7140685	398.9292648	416.1656457	294.417205	372.0472578
1.22_120.0237m/z	120.0237366	1.219283333	pos													7194.117384	5533.134016	7710.200792	6742.956481	6430.851467	5927.549951	6972.357823	6955.645362	7181.529378	6555.305619	6710.42325	5789.765684	6789.875447	6461.633263	6466.267713	7510.683274	6300.472243	7166.217495	6246.220655
1.22_129.0179m/z	129.0179151	1.220333333	neg													8380.245074	8019.629948	8105.962367	9283.308972	16488.41977	6508.995141	8079.429305	6771.180629	3534.978337	6726.810313	8274.883885	7845.694374	7951.324004	7749.44892	7989.398533	8644.261277	8118.150204	9133.947357	7976.097693
1.22_137.9868m/z	137.9867679	1.219283333	pos													417.8815067	542.3929301	471.6640489	462.8425587	261.5585812	372.8788234	379.3372236	387.4849968	443.1895437	518.2668687	437.121804	553.1832717	553.5569097	657.1506896	411.9768237	533.6634136	502.4710046	509.5425784	293.1009805
1.22_139.9820m/z	139.9820404	1.219283333	pos													9221.459921	6620.102187	8165.384234	6865.897242	6269.275585	6679.187528	7637.154789	9242.182631	8903.859814	7768.175265	7729.554493	6982.079151	8178.184305	8655.833902	8444.656073	9502.357143	8382.426453	8239.655183	7816.561951
1.22_184.8887m/z	184.8886738	1.220333333	neg													615.0949919	448.9532212	633.2262526	467.3720152	305.2014585	557.986164	528.022005	606.41851	566.9951938	387.3879069	556.6617273	667.4165269	373.9114303	507.4775787	347.8294596	626.8924589	623.2740092	383.4537458	386.445164
1.22_195.9975n	240.9961042	1.220333333	neg													4523.545877	4713.5488	4926.434058	6362.050981	9425.091066	3831.015316	4353.62737	4410.677117	1580.450117	2986.731583	5048.748816	5637.121745	4385.654139	4025.882811	4056.469707	4732.206419	5237.650091	6048.333884	5117.60821
1.22_198.0185m/z	198.0185237	1.219283333	pos													7656.995033	7135.279104	7576.326861	8499.740617	7998.45603	8489.778546	7072.613292	2957.66631	2491.78564	8874.621955	6881.612336	5422.213715	8404.654426	8299.056414	8521.190533	7837.770953	8277.655386	8964.979601	7732.881838
1.22_200.0555m/z	200.0554981	1.220333333	neg													8332.660671	8789.720234	7340.148967	6374.249699	15794.07317	11119.7049	4362.656719	3607.762155	3353.115904	12470.50007	4102.70766	4425.049668	4136.711283	4362.68016	6487.202402	6816.115069	33901.01798	7436.576324	4190.351961
1.22_201.0636n	202.0708401	1.219283333	pos													4814.720196	5177.832996	5144.254389	4235.09108	10805.1236	6003.908096	1866.94718	848.1221737	705.9417265	7335.808872	1517.316756	2042.488858	2065.437878	2271.6966	4779.269941	3994.090939	26605.48333	5903.588458	1845.305444
1.22_205.9146m/z	205.9146119	1.220333333	neg													3363.781488	3883.137809	3964.206715	3195.723234	3668.026117	3585.838451	3973.990175	3298.035171	3926.395379	3850.205279	3266.338611	4092.280663	3354.257809	4060.081318	3202.071521	4049.365045	3664.635279	2712.345439	2928.286244
1.22_220.0637m/z	220.0636607	1.219283333	pos													842.7328641	1181.051999	920.3811376	718.9542962	338.8843462	342.5500596	0.000297236	1355.715264	2167.306362	181.7609058	183.3725453	3467.358219	1073.254467	825.7643367	662.2996811	542.6598264	919.6429219	1006.273635	1298.4332
1.22_262.9784m/z	262.9784029	1.220333333	neg													2420.132122	2485.248115	2980.902578	3501.131316	4969.360277	2192.79469	2809.1145	2701.845168	619.1149982	1748.815565	2689.847257	3692.912257	2540.451915	2516.354238	2300.993743	2617.658225	2883.172016	3742.637551	3051.21674
1.22_268.0439m/z	268.0439125	1.220333333	neg													367.6618405	350.680535	520.6466017	479.8888431	959.4606502	1037.985675	194.4505303	176.8233763	2513.19568	920.58805	260.7515429	690.0476637	165.6385503	150.1944136	429.3862901	271.825962	3541.247215	545.5874794	94.10805746
1.22_269.9692m/z	269.9691975	1.219283333	pos													4408.222389	4313.284409	4545.149764	6789.396634	10904.3766	2610.485531	3466.935848	4217.967388	1175.172711	2911.240446	4407.059518	5948.88616	5114.279482	4142.365684	4476.711357	5375.948611	5016.201588	6080.585685	4109.794425
1.22_286.9720m/z	286.9719695	1.219283333	pos													2589.167792	2685.223126	3166.985848	4133.738854	5783.88308	1676.315479	1953.802074	2734.932306	1125.959578	1918.293493	2687.074677	4021.709015	3189.351006	2838.931378	2771.938642	2871.397845	2093.809767	4739.752228	2684.109103
1.22_298.0695m/z	298.0694949	1.220333333	neg													345969.2859	355191.8038	360274.8775	396175.3022	384814.3622	347801.2755	417795.5238	112582.9229	150649.829	418471.0151	384510.8818	221630.2814	471767.6562	450780.6787	437614.9108	397241.2194	385838.9584	393850.3223	454159.8301
1.22_298.2357m/z	298.2357449	1.220333333	neg													105.7816438	69.74995706	122.1538353	128.3199562	93.52938434	79.39761532	0.000297236	0.000297236	0.000297236	68.1201641	0.000297236	118.9141713	243.6176213	85.05893197	0.000297236	110.490126	81.73311786	204.9457924	244.6723656
1.22_314.9419m/z	314.9419267	1.220333333	neg													901.2038675	832.5876989	1073.238302	1270.877895	1491.688046	1040.22483	1006.787426	1797.419874	1049.290722	696.1437435	1218.63057	1796.428118	1072.459943	944.7398359	843.0364492	783.8748929	1291.622288	1376.516352	987.2132919
1.22_320.0514m/z	320.051429	1.220333333	neg													55867.64281	58807.09713	61461.18189	66564.70751	56362.6889	55373.49503	68068.85996	19585.35013	26059.38238	63838.14384	63464.33743	42401.10378	74660.58158	71955.31984	68845.23091	65200.52401	64087.56749	67573.12495	71381.88847
1.22_330.9660m/z	330.9659908	1.220333333	neg													1189.321469	1283.608089	1215.487	2099.34125	3131.994184	977.6219228	1352.867966	1475.096986	398.6774807	648.5322981	1215.708476	2105.250519	1317.47963	1134.793969	1102.767441	1611.667541	1364.537474	1907.224493	1388.265256
1.22_340.9215m/z	340.9214725	1.220333333	neg													412.6826641	702.1606476	570.2156878	733.9860562	1203.259406	559.9508428	603.7893156	906.7664332	93.77659413	330.074975	803.6285545	1215.34638	537.6195485	358.9162344	576.1538555	908.2599716	755.2687379	1010.288837	514.5955199
1.22_344.0481m/z	344.0480873	1.219283333	pos													3375.18077	3664.516221	3537.060535	4841.485629	2960.243859	2434.67503	3125.004132	387.3535493	1356.313942	3837.69349	3481.135687	2463.227849	4567.581402	3511.895756	3673.380074	4285.261495	4073.29772	3673.806425	4291.716064
1.22_354.0032m/z	354.0031929	1.219283333	pos													3654.595578	3201.875261	3099.625439	3797.387347	3805.178368	2871.227532	3899.707236	1118.193966	1159.048915	4897.127835	3316.763661	2693.533094	3947.155945	4531.874571	4761.452121	4632.548821	3853.57894	3371.346965	5129.573553
1.22_376.1361m/z	376.1360718	1.220333333	neg													3114.586763	2862.922889	3096.253973	3359.048866	2562.103985	2288.310588	2527.220683	4874.17293	3848.82869	2771.886596	3274.59831	6390.039498	3324.951568	2821.173461	2252.515083	2342.390998	2380.6659	3039.994865	3074.073521
1.22_378.0103m/z	378.0103101	1.220333333	neg													1171.715625	1804.189375	1359.065167	1818.822891	1352.008576	1555.310355	1773.389809	513.8027986	656.6741051	1411.272953	1673.339314	892.6252458	1439.933212	1949.846154	1857.32601	1167.344267	1720.640908	1697.402969	1758.8493
1.22_390.9017m/z	390.9016996	1.220333333	neg													1588.315708	2106.448184	1683.476013	1576.95912	1734.171831	1375.442579	1795.969428	1758.185015	1179.705187	1243.789754	2087.259336	1788.285831	1863.04708	1442.79874	1619.410286	1869.61257	1806.331709	1418.109154	1347.974037
1.22_396.0462m/z	396.0462381	1.220333333	neg													1670.806463	1588.821437	1676.471175	2217.701897	1878.510759	1228.407443	1925.296163	198.1334077	575.0551257	1556.95864	1932.430807	920.0205283	1888.444362	2179.099945	2165.178819	2523.409621	1557.682461	1560.83109	2112.702098
1.22_397.9944m/z	397.9944133	1.220333333	neg													3235.433886	4279.54902	4071.238207	4642.441834	3497.474827	3958.779682	5094.506426	1413.407962	1682.79794	3922.456321	3759.720847	3668.498338	5017.456476	4075.731798	4808.857131	4051.441173	4672.542553	4578.538758	5226.145323
1.22_418.0296m/z	418.0296427	1.220333333	neg													2113.712818	2599.901512	3093.143074	3562.352271	2050.313893	2314.123848	2771.923526	1000.258141	987.3312471	2832.086911	2636.82672	2055.811437	3890.696024	3408.786498	3112.385862	2767.763067	2718.992885	3091.487156	3028.313076
1.22_478.0086m/z	478.0086016	1.220333333	neg													802.7932832	606.9607954	590.1314546	1152.534664	162.5285017	1179.930996	706.6264336	220.7275765	337.2823456	550.3608089	987.7977343	865.6070832	1161.515406	582.6023083	544.0724324	527.2190859	860.7243535	325.693605	579.0931449
1.22_482.0407m/z	482.0407149	1.220333333	neg													796.909675	939.8347659	1019.903848	22.98391902	430.2191253	754.0899314	1383.84385	4177.422289	861.7254287	2326.156808	530.9844821	1161.708632	2428.75457	2643.938856	865.4917884	1857.390611	2078.965038	390.4620536	998.5270419
1.24_117.0178m/z	117.0178048	1.2412	neg													142070.9374	132588.5215	127042.5831	22781.57649	321016.5545	77141.31719	199694.0877	12996.98391	52243.16631	307115.8905	112104.8992	26955.35629	176642.3838	247822.7816	206112.9396	151861.5621	155149.3509	50213.90667	101853.4281
1.24_165.1040n	183.137783	1.239083333	pos													3596.019338	3807.042227	3631.208476	4440.787494	3102.043421	3665.989049	2740.806385	5366.619321	3854.204892	3506.855076	3590.898396	6338.710527	3157.949502	3192.442296	2724.19269	3088.207329	2873.148535	4952.127684	2823.694115
1.24_174.9767m/z	174.9767452	1.2412	neg													2929.129306	3348.146159	3438.731175	577.7695528	4914.428515	2245.605867	3960.41135	369.003546	1651.789811	5472.554104	2241.01653	1039.456886	3574.965381	4947.396222	4423.306211	3947.362589	4176.55381	1483.875356	2584.512652
1.24_176.9738m/z	176.9737727	1.2412	neg													791.4378404	947.3878129	873.1216965	166.8557914	1365.15081	578.7746639	1089.407493	130.5580003	269.6950874	1441.58847	543.0189246	285.8220757	1185.45266	1512.66287	1092.68264	1083.230554	1200.61783	365.0877412	613.1533457
1.24_185.0056m/z	185.005627	1.2412	neg													14181.66037	20159.52975	21383.72753	3544.788009	28288.6713	14332.27786	23866.15821	2658.699242	10456.23007	33890.55765	14976.70444	7446.740742	22553.56508	29936.48913	24026.39646	22534.73192	25129.30699	8735.802832	14813.63148
1.24_201.9960m/z	201.9959703	1.2412	neg													20147.12323	18438.02518	17026.34172	3044.465201	35107.773	10470.46084	25359.48574	1682.055844	7101.420877	36686.25026	15362.05418	2861.857653	23028.41995	31216.19329	27800.37873	21296.31339	22564.23712	6864.601786	13489.31711
1.24_207.9662m/z	207.966205	1.239083333	pos													2677.164256	3158.278389	2712.089388	230.5601522	5081.950283	1306.794196	2603.831663	182.2954795	716.7804861	4455.938619	1965.535048	860.8321532	3114.893871	4979.254063	4500.867082	3404.356467	3170.630689	1430.409025	1741.281856
1.24_211.9841m/z	211.9841182	1.239083333	pos													2840.012654	2526.577608	1989.860975	187.8088016	5069.147089	974.1596613	2457.814004	120.4091755	1138.192097	4990.23255	853.1908753	439.4418577	2604.108722	4736.04656	3836.155277	2798.148565	2191.231062	920.4534835	1081.331607
1.24_216.9433m/z	216.9432886	1.2412	neg													3922.597258	6354.149565	6693.21011	1123.762804	8563.185987	4122.894361	6428.071283	836.9598794	2769.905013	10096.96566	4143.592471	2412.265842	6873.653944	9482.102379	6576.202816	7000.062966	7989.901411	2449.021678	4510.562415
1.24_218.9584m/z	218.9583825	1.239083333	pos													2479.465678	2298.930245	2300.558237	310.8340243	5615.353506	932.650937	1958.104527	0.000297236	879.5882672	4307.526844	1599.178189	766.2280609	3234.648409	5098.792432	3487.359138	2968.513113	2829.51053	1084.512998	1563.585289
1.24_230.9827n	213.9794492	1.239083333	pos													40430.65849	39323.55092	39883.02928	10163.39719	86957.12117	22000.27246	43124.81406	7034.79536	19991.23206	73543.96257	28356.29552	12056.34505	56316.62157	78186.83763	63742.81087	52925.41827	49337.46329	19099.69684	28257.6167
1.24_235.9609m/z	235.9609185	1.239083333	pos													3563.052778	4121.735936	3710.842273	2885.59904	5216.613964	2179.06994	4058.028014	2091.126117	3346.860486	4049.336666	2812.831212	3067.612039	5473.910822	5454.157113	5308.119368	5260.948002	4492.355486	4007.781401	2907.647461
1.24_236.9684m/z	236.9683739	1.2412	neg													1569.874138	1787.322053	1784.449155	324.2254143	2718.049252	705.291186	2371.843254	258.8544711	509.3729998	2997.271143	778.4509928	616.2073307	2110.971924	3584.197041	2684.03651	2000.934043	2733.431893	781.5402153	1074.065447
1.24_254.9826m/z	254.982595	1.239083333	pos													1037.331362	617.0461313	892.457283	159.1687045	1911.290668	174.75102	411.4643889	0.000297236	328.4825266	1419.749924	706.8372214	0.000297236	1301.318598	1819.382102	1604.660431	1114.591782	1251.448036	329.9670498	363.6472275
1.24_272.0092n	255.0059168	1.239083333	pos													34420.55709	33402.67916	29615.7402	11777.93564	62976.85859	19245.89848	31624.49118	31395.22622	21452.11704	49360.71963	23548.12258	13028.26799	44867.42383	54232.42893	46214.28352	36661.94498	38861.87922	17828.84313	24950.85852
1.24_274.9764m/z	274.976393	1.2412	neg													7024.996891	10146.46586	10624.0845	3808.635507	9140.56107	8641.142878	10330.0435	3834.515654	5711.705841	11962.94687	6659.823637	6058.308327	9758.740623	12600.6989	9353.731216	10203.97129	12423.07786	6223.661477	8341.392476
1.24_286.0540m/z	286.0539564	1.2412	neg													618.60899	718.20543	899.7961121	692.6817918	433.1120654	1745.442987	982.8953689	598.5860642	476.7604653	1403.928842	758.184126	1143.5179	792.3104326	1054.900192	1163.026217	492.1500658	1337.012417	921.8736851	1398.265527
1.24_287.2213m/z	287.2212501	1.239083333	pos													1810.095913	2183.235431	2699.588609	2164.979783	1701.363197	2963.31271	2232.954121	2275.410423	1946.897977	1774.141931	2777.3296	2079.609347	1571.424399	1648.28249	1897.452732	1783.083155	2520.84571	2018.884141	1844.94752
1.24_288.9653m/z	288.9652612	1.2412	neg													971.2575451	1288.904384	1649.534771	104.3582313	4081.983965	473.1667089	2154.088917	374.8921399	73.09094688	5611.291531	57.52774992	218.5028437	1979.107036	4249.125646	2426.132741	2133.18457	2861.296873	307.7426754	735.9967
1.24_311.9563m/z	311.9563465	1.239083333	pos													1540.01887	1170.025745	1788.960928	278.7965011	3654.714866	320.5278329	1519.297005	0.000297236	612.5284399	2665.905401	588.4034706	430.2591968	2279.85394	3968.586119	2670.46402	2300.516312	2356.56164	625.9527054	1470.208363
1.24_313.0516m/z	313.0515535	1.239083333	pos													5547.368277	6903.260708	5387.782364	6721.624446	4394.874499	8230.615381	5949.305071	5794.616277	6630.753493	6867.730771	8588.420993	6071.154813	6818.275169	5152.27663	6692.729007	7120.069992	6149.136069	6082.664282	7108.193828
1.24_418.0588m/z	418.0588393	1.2412	neg													7608.527724	6978.679775	7040.816609	13788.10397	5450.023671	6450.236716	8311.001854	11953.03562	16225.3655	4568.879767	10509.25666	8314.138989	6953.372914	6250.357395	3745.404527	6423.81763	4930.372317	7603.774667	4664.2165
1.24_419.0243m/z	419.0243274	1.2412	neg													3507.898933	2721.045514	3377.893495	4374.692161	2829.234969	3833.641893	3563.695568	3723.554865	2037.059287	3009.023483	2462.604159	2740.597886	2243.499	2691.788267	3183.494063	2964.877231	3048.838299	4233.58802	3269.6279
1.24_422.0926m/z	422.0926232	1.2412	neg													5968.098426	5702.739618	6215.470957	1878.294374	11027.95558	3093.024709	9416.100706	1309.998341	5073.506838	6818.811513	6353.816366	1209.160903	7297.268831	10664.95651	5334.824403	5011.473591	4429.513554	2412.377631	2783.461626
1.24_428.0146m/z	428.0145892	1.2412	neg													1697.29824	1128.289602	1874.855957	2887.797011	1155.489632	1023.487613	1858.499815	2924.801823	3537.206427	1133.047406	3120.703255	1869.517312	1166.766997	828.7945693	415.9952826	1011.984005	798.1473781	1202.012788	628.2284773
1.24_430.0708n	475.0691368	1.2412	neg													26073.6796	24858.47183	25893.97202	4261.486272	37509.09743	14155.04002	32376.46217	3245.055742	13736.89601	40696.31311	21463.01629	5356.409837	32644.25283	34087.31075	35112.64652	32135.38549	27695.86912	11930.38798	20318.80512
1.24_434.9855m/z	434.9854956	1.2412	neg													2978.512588	2653.261202	3322.733656	3600.419441	1781.735571	2551.760255	1290.55104	3575.360285	3245.415218	1955.786547	3560.695963	2347.474986	2174.20931	2293.70633	2238.090333	2169.374174	2817.816164	3613.662141	2768.513048
1.24_439.0189m/z	439.018914	1.2412	neg													10695.74982	7287.709588	7907.908409	455.428168	15733.13672	4870.604305	10587.33402	627.569803	3061.276062	14759.84622	5384.805767	1707.143721	10394.01393	12979.57374	11822.23391	7927.410949	8481.45355	3861.824171	6470.789113
1.24_461.0068m/z	461.0067817	1.2412	neg													1289.259912	1900.743685	1886.391406	4255.01723	745.644003	1835.50873	1159.912589	3339.207719	4007.697181	813.5905436	1486.393554	3192.590594	691.0315304	535.3771085	1697.366842	2297.013586	1645.190263	2640.579392	1291.36985
1.24_471.0223m/z	471.0222836	1.239083333	pos													1475.55414	1580.662322	1107.891844	0.000297236	3341.438695	0.000297236	778.0337979	0.000297236	0.000297236	3103.87883	906.3866659	0.000297236	2941.48223	5309.802939	3381.743056	1896.464909	1933.986703	888.3767344	2087.340689
1.24_492.0597m/z	492.0597403	1.2412	neg													1277.191047	1659.331801	1899.171494	648.7538993	1858.788081	566.6051237	1648.822015	0.000297236	788.5745596	3723.902278	1395.30149	375.5713818	1611.498701	2300.867834	2314.842203	2741.053107	3149.592872	372.7753683	1551.572056
1.24_498.0588n	497.0514888	1.2412	neg													5750.061174	9382.165604	9191.955244	1198.671686	8332.669914	4956.636575	9629.057328	1176.020229	4332.758412	9598.862491	6394.951582	2289.62412	8394.32583	9564.166757	8874.122122	8473.493455	7981.287437	3101.877559	5715.397748
1.24_503.9803n	548.9780921	1.2412	neg													7384.417126	6530.268137	7835.585278	10116.63339	3941.423565	5979.87607	6127.718029	9087.774179	9963.520493	3946.242439	7530.162561	7770.697444	6027.399611	4511.158634	4682.834591	7513.513499	6638.375478	8188.812521	6701.112859
1.24_507.0066m/z	507.0066086	1.2412	neg													5933.110181	7210.984381	5759.604177	1456.967972	7647.558016	2922.765029	7235.386348	352.8197664	2279.145359	8649.006944	3350.802106	1266.924503	5992.230707	8846.819787	6964.602863	5681.645484	5913.207066	2352.67933	4260.367922
1.24_523.0071m/z	523.0071319	1.2412	neg													1154.771853	1251.672817	1474.698912	4315.111027	1585.367684	2089.587344	1001.755688	2729.177023	2953.717462	854.6311635	1587.153159	2400.832449	1241.135971	1143.598538	2031.096823	2460.323795	1451.456009	1744.101969	1822.973825
1.24_539.0232m/z	539.0231577	1.2412	neg													9083.802014	8847.332611	8493.242455	14406.13745	5824.227917	10654.26568	10002.09291	11983.96663	13870.18474	6500.58991	10933.14517	10767.92968	9135.067571	6234.717296	9075.462199	9850.569529	9150.883227	13577.5164	9297.854201
1.24_588.1335m/z	588.1335259	1.2412	neg													19454.47476	17278.51416	15284.95614	20689.52501	21870.67077	18864.36854	27103.27222	3772.362592	7935.644114	22456.84109	19073.01201	5245.143276	22224.08296	20732.84943	23812.50092	18538.63925	17761.2785	19275.27619	24542.27561
1.24_607.0104m/z	607.0104471	1.2412	neg													1521.652788	1580.113466	1950.276305	2987.98313	1200.308448	2265.626123	1151.824541	3829.311348	3981.400371	356.2840402	1083.988684	2978.586299	500.3333557	1155.937518	1003.224754	1339.633247	961.4535422	3650.494752	1031.715682
1.24_610.1144m/z	610.1144251	1.2412	neg													4934.615818	4962.194586	5905.350059	8628.766115	4283.210347	5146.39451	8160.579307	1424.270191	1612.739048	5751.830564	4375.623373	2924.576726	6381.568681	5580.808975	7578.761691	6417.80939	5045.598779	5381.531307	8300.481204
1.24_616.9653m/z	616.9653466	1.2412	neg													2127.758857	1507.054965	1521.587708	3033.380816	259.4206966	2294.661409	1279.565826	2484.298768	3162.537486	1007.310106	2527.282961	2673.02913	853.253763	274.5888004	992.6104172	1083.938344	1660.934129	3106.595649	1130.70346
1.26_1093.2973m/z	1093.297349	1.259833333	neg													34623.62298	26849.21128	29661.67762	19546.29782	59976.01921	38294.53698	69097.11786	6604.159447	10928.5301	70503.29839	40013.48018	0.000297236	39665.18464	28337.1084	41418.38868	29514.94815	28947.01098	23949.38405	33924.4556
1.26_132.0660m/z	132.0660311	1.25845	pos													1513.625663	2070.541122	2737.289595	1818.177664	2058.418051	3015.92566	1722.810998	2447.599101	2391.06123	1936.072168	2325.554159	2312.825985	1579.533765	1575.62372	2497.649648	1531.435605	732.8885343	994.0274264	1277.947002
1.26_296.0473m/z	296.0473356	1.25845	pos													8248.885259	6699.500423	8211.104248	12374.35675	7068.674746	13426.91065	10912.70783	5229.42188	6162.036999	8968.595384	10746.95859	3932.986173	7057.59648	5477.676695	9774.07054	7005.960132	6665.631216	6510.815327	8808.06955
1.26_301.0538m/z	301.0537688	1.259833333	neg													1611.312444	1646.919762	1436.944672	43.33931505	4229.622132	300.3290642	1506.486665	1486.721744	879.678055	753.5565284	938.1135779	373.3674986	2441.102296	1771.702688	1326.623529	668.6832401	692.9756895	429.775921	1410.906745
1.26_314.1453m/z	314.1453295	1.25845	pos													47774.30145	58876.07806	53323.25072	58603.19882	58339.33732	70890.79227	73975.41693	42556.00703	43446.61283	66023.24579	70045.24858	31363.39879	53965.55263	45517.97153	53243.96563	54581.9072	56706.3623	45731.07423	51275.90991
1.26_316.5603m/z	316.560293	1.25845	pos													11247.08415	11937.64368	9420.091215	16483.25841	14607.15916	20971.56865	18713.0593	7491.618155	11793.1945	15597.03013	17576.04636	3788.135739	10353.08619	11318.79447	13517.58828	14180.66863	12990.0423	9902.46807	15829.91838
1.26_323.0072m/z	323.0072205	1.25845	pos													5404.609137	6279.448976	7542.495027	7104.779013	7494.082671	9038.92672	7756.607641	1978.995843	4460.548615	7321.93876	7035.869054	1808.15353	6047.679278	7042.861413	5912.826619	6157.031908	6228.677152	6341.703291	6053.995456
1.26_350.0715m/z	350.0715131	1.259833333	neg													29435.53731	31600.03058	33841.87719	56611.40731	25895.13862	33406.37934	37882.06398	45771.16007	58416.07809	23138.54902	45828.02598	33366.2457	28241.72918	28250.88003	20610.13059	25279.57307	22263.59735	29493.28092	19989.51651
1.26_358.0201m/z	358.0201088	1.25845	pos													9288.691304	6214.530837	9419.848418	12111.60359	8614.480956	14776.28522	14149.84041	7028.007589	8700.503879	10576.19162	13509.05768	5578.108177	7677.015723	8066.609484	8780.950917	9848.506673	8893.519483	11314.15286	9906.477822
1.26_368.0051n	413.0036373	1.259833333	neg													49392.21097	36257.18505	40658.34775	46607.79747	35609.16545	41482.10881	45848.81331	39504.62566	41031.64431	38233.14413	42522.01685	24373.99955	40856.15697	34601.6582	39898.61703	42579.98553	32208.81305	47623.81255	36233.79849
1.26_369.0122m/z	369.0122314	1.25845	pos													71028.99342	69864.37324	69251.16142	85663.73009	72933.9981	95220.75925	90321.80888	53877.75957	64193.98233	77935.19335	84850.87008	37875.75713	75324.3045	73406.48124	86736.29991	79908.77043	77027.86265	80728.25467	78978.46902
1.26_409.9798m/z	409.9798368	1.259833333	neg													21788.65165	23077.58816	23415.76693	24171.29485	22905.86869	26783.38254	26831.04021	16671.13348	18712.12598	25509.99741	23315.80838	11756.17731	21401.74052	18690.38244	23079.7958	19330.5222	21358.76197	22476.78892	20335.87627
1.26_410.0387m/z	410.0387264	1.25845	pos													14970.45067	23158.94945	19661.14063	29389.62543	24566.37906	25730.89814	30390.51403	12129.31143	15810.00741	25289.82378	22813.91396	11357.65841	24070.05782	17113.22107	22823.98099	19847.62945	17635.80173	23018.42165	20473.0325
1.26_410.9629m/z	410.9628744	1.259833333	neg													2959.884148	3740.700811	4228.845393	1657.024477	2094.714644	3193.496327	2311.363024	1874.190407	2263.032271	4202.449032	2134.034311	330.724898	3308.621048	1912.9233	1708.314523	2787.967074	1700.854039	2452.853348	4245.608387
1.26_427.1081m/z	427.1080803	1.25845	pos													16934.71753	24503.92912	16390.40999	14932.89011	19011.69153	13810.1954	20751.64791	15253.7342	15657.71073	19507.62643	15243.17269	12740.636	23491.79691	24527.20459	31659.93191	21440.32108	21296.14389	15128.80367	20355.87736
1.26_430.5888m/z	430.5887842	1.25845	pos													16607.38734	16523.19494	19148.6193	23105.31542	20748.01617	27791.34712	34735.24515	6244.577761	7439.921157	22721.65453	25481.17316	3520.287024	16896.873	14592.00803	21694.51064	19508.42269	14039.21001	15583.14969	16902.85735
1.26_437.5929m/z	437.5929084	1.25845	pos													3474.370793	4025.111773	6003.325989	10764.24379	5210.326191	6641.260948	8364.745913	3768.747586	7415.582608	5740.820615	9238.71755	1731.084501	4353.916557	1994.419426	2492.321044	3925.83409	3066.798857	3905.149069	1173.004764
1.26_441.0333m/z	441.0333279	1.25845	pos													13087.10451	16170.84147	14509.97525	2319.059241	31184.7702	13182.55216	25034.6191	1633.746294	5277.442766	37722.37105	13674.5357	1804.905972	20432.11913	20749.50379	22243.40689	18956.05992	23868.11518	4285.248487	11621.81893
1.26_444.1370m/z	444.1369812	1.259833333	neg													739.2613246	1062.088623	972.8606873	1035.062184	1628.377933	363.027817	998.1300389	13805.35348	2357.777504	607.6017663	773.0459064	1345.043847	1188.941708	637.3083478	256.5202421	247.0021591	0.000297236	1182.824122	397.9721106
1.26_471.0357m/z	471.0356845	1.259833333	neg													37011.3714	35030.12529	41327.18521	48186.89356	26655.97613	41732.08936	39298.78598	40193.43474	42041.4982	34746.06295	38049.5197	31061.6042	35280.75355	28585.71664	34087.40412	40789.27333	35625.66396	43487.36907	36299.57926
1.26_482.0601m/z	482.0601149	1.25845	pos													7142.74099	8350.797468	6967.904571	0.000297236	17165.53599	6583.768249	12501.1854	5410.032808	2625.180587	20994.44913	4441.958378	0.000297236	9206.543111	9146.683228	10268.66364	5312.463103	11373.66318	2055.997134	5325.51256
1.26_505.1686m/z	505.16862	1.259833333	neg													1685.992189	2851.362513	2859.51449	2049.196991	2627.97847	4291.473255	4659.335081	536.3117838	901.5847963	4542.472021	2987.779644	0.000297236	2913.770054	2896.614807	2742.223045	1915.297589	1557.752475	1385.392668	2637.326474
1.26_507.1835m/z	507.1835196	1.25845	pos													3279.432334	6019.517816	5526.290161	3232.321649	14070.08936	12550.5681	13276.12519	1971.145942	1592.820463	9174.653238	8910.36222	0.000297236	4594.644294	6307.316784	4837.955047	4511.891987	7502.066025	1254.455765	8921.359903
1.26_551.1719n	552.179155	1.25845	pos													184912.9604	225063.776	197430.0275	356025.4473	293559.6939	251893.7721	359898.9034	153509.8764	244885.7743	236291.5697	321556.5236	73981.92339	235023.698	256705.5853	173871.1839	153513.0266	152421.2072	162186.6079	118099.6739
1.26_551.1724n	550.165085	1.259833333	neg													120651.3335	146469.6611	168729.7203	236493.106	176457.0372	187678.1658	274649.7055	114355.85	178313.1071	168703.7786	209644.2323	50036.5211	146927.2096	141368.8642	105750.5189	108882.1991	96118.32549	115247.8583	97254.0134
1.26_558.1432n	557.1358862	1.259833333	neg													440619.2405	513478.0916	549489.3602	562515.9479	597611.8748	659428.4034	751819.678	268874.2909	357409.1427	714356.1879	563543.0729	142282.262	506277.8789	447885.8517	577993.7752	522899.2211	483474.7004	481265.7635	550276.6835
1.26_564.1276m/z	564.1276033	1.25845	pos													49960.78657	46823.02699	42107.82478	54990.5207	73959.12717	92136.23759	90870.68271	8819.674655	17331.13855	97659.83591	63822.57162	5137.184719	51185.6779	46517.72135	65044.82188	51227.66296	52535.84079	35022.82411	56945.00914
1.26_564.6292m/z	564.6292125	1.25845	pos													20105.93027	24932.37796	18149.78686	21319.54043	32141.57082	40834.08985	43515.96845	5080.053328	11859.80748	42378.00063	28190.59507	3002.207987	25830.16981	23747.77143	29628.02348	23275.14327	22207.00373	20899.05266	24052.8437
1.26_572.1482m/z	572.1481974	1.259833333	neg													41363.06273	52044.09881	56189.79379	85261.92537	53402.8002	53515.60002	81454.1005	51331.6296	75405.43199	44015.62825	66863.10529	23432.73233	48420.77157	46804.77279	32151.73022	36451.76536	34178.25071	44913.16233	32253.88894
1.26_573.1291m/z	573.1291371	1.259833333	neg													12720.2482	12336.87548	15684.78428	18002.96703	21449.27753	26462.38161	29146.68996	6456.183659	10908.87304	27351.13767	18731.10708	3517.215682	15852.1388	14505.64422	17845.80175	12545.66652	17295.1009	13650.22216	18286.68494
1.26_586.1418m/z	586.1418208	1.259833333	neg													15341.27328	18825.08457	16936.47121	25678.26966	22354.8784	18970.0575	33040.15509	11049.37629	14580.35588	19699.90157	23517.03365	5389.2717	17446.53369	16964.64197	11297.79496	11801.51758	10659.19359	12444.88938	10723.90707
1.26_590.0800n	635.0789543	1.259833333	neg													39832.26291	27916.85687	27316.54505	39650.66684	29491.30258	35566.77925	43537.87397	18998.90857	26403.79005	37221.23064	40384.20406	7277.931829	29138.02581	27340.34942	37269.28595	29754.38385	23831.838	36511.85345	27452.29481
1.26_598.1352n	637.0921457	1.25845	pos													20829.97407	23243.28776	28141.68811	43092.83499	22536.20193	39947.13541	36789.37409	12342.02714	20475.25839	28639.84773	34157.80551	8083.007457	25101.66271	28701.43041	30242.77774	23827.15266	27439.85857	21613.30581	23087.66603
1.26_598.1500m/z	598.149992	1.259833333	neg													30514.02378	37052.76331	38387.26543	34000.43618	51799.46191	47643.70396	54210.22088	16414.53441	18416.13865	52836.81185	36213.09392	6439.758202	36203.68434	32364.54938	37987.76375	34889.02082	31274.54744	29243.87351	41477.27827
1.26_615.0946m/z	615.0946376	1.259833333	neg													27962.52902	26488.17529	28217.93401	30004.0455	33708.88909	28438.86391	36726.23846	17472.81201	24674.46618	32704.63797	29735.12451	12262.53982	29724.31569	27398.01228	30919.58584	31773.15768	27684.00699	29121.58439	29737.428
1.26_620.1315m/z	620.1314536	1.259833333	neg													13395.31066	15927.425	16027.37081	17625.09259	17218.88679	19291.2267	22629.98178	9404.225653	10969.78357	19999.87307	16833.33442	3776.058197	17494.67512	14444.32887	17150.74655	17711.82604	17394.54677	17358.46866	16491.3804
1.26_625.0510m/z	625.0509585	1.259833333	neg													4983.307602	3333.429229	5295.502882	5290.660022	4699.151254	4294.865682	6632.427687	721.6413204	2498.326133	6588.117053	4706.354778	1101.206193	4210.415247	3062.274228	5007.10015	3873.427893	4231.631836	4398.278703	5312.779447
1.26_640.1339m/z	640.1339125	1.259833333	neg													15242.08048	23864.58064	28230.12668	40454.22267	17615.56025	25546.61398	31937.24375	25983.72313	40123.2184	19028.67635	29945.14344	16312.77972	20559.69832	15647.82446	15317.95537	18965.05389	16521.85673	22625.09551	16657.992
1.26_642.1140m/z	642.1139948	1.259833333	neg													14478.90413	14641.01764	14765.44097	15162.18028	14031.33477	14277.86003	20668.86752	10672.21152	11252.07664	14091.30642	13355.35274	5066.316314	16470.42386	13650.48861	14343.22973	17373.94209	10997.38225	14633.33094	15484.9496
1.26_648.1400m/z	648.1399616	1.259833333	neg													4793.323252	6402.379477	6481.515533	10228.43415	6824.235328	6395.490871	13199.94179	6105.524177	6163.810763	7242.956073	10624.80921	845.2725244	7030.506246	6600.543445	2708.484853	3120.091932	4550.146981	5451.089266	3354.27461
1.26_677.0940m/z	677.0939727	1.259833333	neg													15107.91854	18731.48131	18176.90036	19458.31714	20117.24422	18431.04014	25763.30423	9819.465358	10545.38065	16931.31263	17052.65668	6179.55821	19070.28541	14132.06274	19928.25469	23266.73686	19177.63759	15813.89439	15488.70736
1.26_697.1446m/z	697.1446459	1.259833333	neg													29958.64168	19688.82388	19816.92355	2837.110508	44375.30831	12135.47001	34604.86605	1709.396068	9502.91742	50796.63371	19539.88823	1616.121233	31190.78796	36764.41765	36997.10935	24110.80697	18439.37442	8282.420918	16615.98822
1.26_697.2069m/z	697.2069094	1.259833333	neg													5660.69156	5830.399576	5277.300092	4481.909206	14334.938	2029.323784	4780.453682	17551.67348	3036.277228	0.000297236	1769.260863	623.3241314	6905.99385	2842.559492	1523.464845	1432.412041	0.000297236	4715.31486	5215.257166
1.26_719.1271m/z	719.1271491	1.259833333	neg													16984.87439	11865.91645	10393.08749	2042.493928	21885.7105	8178.687759	18308.13031	1126.648304	4835.726027	22443.35098	13053.79339	1799.388671	16684.97286	22633.41805	21127.63197	16811.07863	11683.91808	4271.659348	11334.59985
1.26_761.0976m/z	761.0976405	1.259833333	neg													8868.94222	8794.426293	9822.452547	15271.96179	3229.561085	10243.5539	8173.439471	10881.57805	14304.1094	6536.602007	9354.227277	8180.19369	8533.249147	3777.764223	10207.26973	12370.79612	8285.954941	17088.04388	12697.8543
1.26_818.2460m/z	818.2459739	1.259833333	neg													60435.22667	58350.97119	57209.63902	95083.7706	83070.97907	77586.57747	137706.8528	29793.21004	53790.73174	86418.96094	85059.88676	5545.418536	60751.90515	61558.09531	45801.03087	34428.31961	31439.5457	41289.73913	35594.54435
1.26_825.2171m/z	825.2171319	1.259833333	neg													177202.0261	176444.1026	196677.8769	192165.6961	252568.386	260374.7107	329427.2904	62824.1667	104856.504	307969.4878	210975.2767	22090.31356	204118.8151	175096.9926	216735.8432	192593.0865	160321.7853	157435.3384	195411.8306
1.26_832.2075m/z	832.207496	1.25845	pos													11097.0869	15850.69181	10849.37997	9220.495828	26712.50551	28018.81066	41228.47578	2124.892881	5063.239419	26988.94788	17117.36897	0.000297236	10676.2851	14296.16721	15561.26114	14838.06812	14273.43084	7931.380382	20149.88822
1.26_832.7091m/z	832.7090603	1.25845	pos													4760.108614	4731.06313	4600.796143	4646.38165	25873.97586	17940.06114	20320.79119	2166.158837	2343.53128	19121.8672	7323.169351	0.000297236	8573.685981	3132.147224	16190.16314	7892.567271	10843.44434	0.000297236	6786.023502
1.26_840.2276m/z	840.2276253	1.259833333	neg													28124.07482	29482.35589	34462.429	48237.59187	35332.05004	37527.4032	62551.74431	22113.91642	40858.76296	33815.69919	43347.90673	6852.689411	24165.2511	28803.44265	15806.49063	21271.96375	16350.70445	28338.53355	19150.90696
1.26_857.1535m/z	857.1534753	1.259833333	neg													14042.03834	8893.300746	9849.695162	11584.70033	9292.770418	14621.62629	12867.8382	953.3973985	3772.888075	19851.7277	15879.56967	661.0730338	13972.30102	10189.48302	10752.84073	12302.82166	5991.173732	10881.43752	7951.737121
1.26_861.1935m/z	861.1935311	1.259833333	neg													6686.344475	8205.850562	8011.542904	5736.597199	10882.82456	7969.016832	14710.21038	3842.485481	3407.991733	11850.55959	8182.528452	1954.508545	7825.139559	6733.621612	9474.586444	7792.360669	6261.895867	7263.617964	8120.045863
1.26_862.2087m/z	862.208746	1.259833333	neg													10750.53648	19366.60478	18782.99533	28757.57976	13792.01178	14786.58112	27901.79458	13642.38633	19794.87663	13875.28742	23489.5721	2793.231254	9758.638104	9189.615002	12215.11326	11080.44495	10852.07899	11546.90965	7820.209501
1.26_915.1861m/z	915.1861374	1.259833333	neg													18038.66507	16298.21724	22130.39624	25551.6594	17797.10543	22996.96233	18217.04038	12305.9444	16266.91641	15025.1971	27132.32488	7647.225169	14432.27716	14552.17836	24281.32131	19061.08675	15012.54885	22047.32091	15042.75425
1.26_923.1926m/z	923.1926067	1.259833333	neg													13332.73498	12295.53452	9699.24926	9328.261022	13557.53627	7737.074349	12740.25567	2313.219858	4742.394245	13778.29865	12521.35918	0.000297236	10490.79442	8647.360352	14675.01848	8596.23513	4429.333786	9141.929156	7897.172795
1.28_134.0205m/z	134.0204893	1.278416667	neg													511.7855017	676.696349	477.4059181	482.6651262	665.3509045	681.1489012	725.3655763	411.8415611	387.194318	633.288458	504.3572056	277.3338827	536.0338519	471.9290868	718.44035	449.257014	770.9652818	694.8779517	844.7004889
1.28_184.0335n	229.0324297	1.278416667	neg													9065.741489	9194.265521	9166.070697	5090.875585	10042.83111	4188.513434	6528.720999	43789.28076	12905.74757	5988.92719	5552.454118	10333.55643	7794.484049	7148.093717	6267.711151	5878.740736	6157.09006	7037.169403	6838.364277
1.28_246.0226m/z	246.0225767	1.278416667	neg													1107.859225	1467.660659	1169.065033	816.7710506	2216.161895	0.000297236	928.0041142	8763.292878	1267.784907	261.2410976	560.3184073	1183.054499	951.9280586	446.7657084	520.4706422	592.9043301	387.9581656	864.0875184	631.0714513
1.28_263.0441m/z	263.0440891	1.278416667	neg													10982.53464	11386.11333	13719.99305	13699.67473	7679.657626	9051.358435	12401.96807	13342.66777	17154.82785	6149.45425	12970.21056	17820.21507	12364.09376	12557.05376	9701.206575	9423.590872	9323.796276	9935.998311	18651.6936
1.28_266.9317m/z	266.9317363	1.278416667	neg													2131.888046	3185.333141	2493.643435	2491.917858	3048.848647	3594.150144	3617.59551	1875.644905	1379.914498	3040.859414	1820.874796	699.6272903	2930.763115	2335.868418	2577.903991	2363.940123	2338.177653	2495.649752	2687.987101
1.28_306.0803m/z	306.0803063	1.278566667	pos													43305.89085	46637.87004	42693.2534	69147.82223	39095.55991	39007.58714	49810.58451	57164.35722	65570.456	32085.71775	54369.10598	47739.59837	40160.97491	50364.48807	30185.01419	34777.42466	31303.81127	38125.58315	27262.29275
1.28_327.0288m/z	327.0288182	1.278416667	neg													16190.36957	16628.34565	16355.48761	19276.59092	15828.76815	15635.87274	16099.26479	12602.30059	14643.11088	16167.98984	17845.57112	11218.04104	15347.86605	13833.87197	16527.53229	18056.64247	16942.32963	17057.02728	16311.2358
1.28_330.0690m/z	330.0689723	1.278416667	neg													233053.8796	291121.8921	310132.4681	300484.6775	329182.6201	388287.303	381388.3125	146053.4475	162101.5285	367877.6074	298538.756	88290.13119	290426.7513	253985.3528	301546.42	282806.5229	304411.7658	262397.7004	327414.7456
1.28_348.2737m/z	348.273663	1.278566667	pos													7209.367767	10598.28434	9663.341605	8641.522695	5039.462133	11616.92703	7751.944425	7273.102497	7970.882914	7980.762648	11317.71252	7282.528929	7055.393345	7022.226315	8528.740763	7245.495315	3677.038405	8411.589369	11487.76826
1.28_352.0509m/z	352.0508716	1.278416667	neg													53102.76274	58006.58698	64717.40401	69308.47922	63449.0746	75415.19855	69940.70434	47598.98802	51631.11135	63859.6755	62611.2537	31985.66407	55952.70749	52581.09048	63432.40661	60373.45532	61751.41935	64332.98009	63952.52897
1.28_358.1254m/z	358.12538	1.278416667	neg													24988.58692	33050.02791	33243.7785	26175.86692	24862.28625	27093.53857	37942.07222	50504.39715	59657.51304	26199.63689	29035.25316	44288.1996	33850.3545	36076.65899	19475.64015	15553.5429	17940.03526	16339.23755	46783.81992
1.28_360.0911n	359.084343	1.278416667	neg													6122.317078	8147.987512	7563.152923	8279.951083	7811.82802	11465.32219	8985.563316	3750.001911	4627.570941	9393.103355	8568.866489	2982.414268	5903.413886	6620.087648	8413.177577	9177.24987	7370.383033	7062.348354	7358.903757
1.28_379.0506m/z	379.0505941	1.278416667	neg													3147.665374	2581.098659	2776.013732	3500.570349	3510.097671	3319.623288	2481.311566	2618.414204	2865.542944	3105.708081	2896.49202	1805.777129	1777.173702	1965.880612	3237.858533	2854.675987	1965.66299	3328.616171	2116.161436
1.28_385.0086m/z	385.0085692	1.278416667	neg													6638.647745	5692.99541	5937.191086	6430.128111	6304.737094	7623.406853	7415.052988	4221.81199	4250.872948	6392.786619	6187.308999	4765.329893	6367.821508	5657.34799	6546.188248	6356.08999	6445.529378	6566.164404	5831.363827
1.28_392.0884m/z	392.0883642	1.278416667	neg													5922.950806	7149.326714	6056.857735	4032.867095	8203.564479	6371.208143	5609.113154	7397.453644	5889.522488	5730.457134	6368.173499	7229.93303	5693.54221	7510.871406	6906.977916	6093.291201	4780.767423	2989.059454	6613.844263
1.28_393.0197m/z	393.0196791	1.278416667	neg													13192.2939	14668.39764	14686.18055	16761.50685	12202.74365	14737.08747	17208.14572	12215.92052	14985.27921	13258.98177	15075.28015	12047.37774	11884.92893	11065.54382	13052.48782	15407.34073	13011.93253	15714.61729	15255.30691
1.28_395.0162m/z	395.0161709	1.278416667	neg													4457.162872	6598.661025	5760.283026	4940.973504	3121.608259	4576.041306	4079.856099	10729.95896	12507.19601	3500.60035	4443.302923	5603.435214	3542.661313	2065.770629	3834.186602	4338.707755	3703.713371	4500.862227	3346.851203
1.28_400.1820m/z	400.1820187	1.278566667	pos													183635.9764	192701.2442	198278.7359	255771.2069	257947.8134	163151.3323	145557.6988	105168.5645	108599.7387	221450.8654	134313.8502	101551.8342	256434.5615	289000.0941	283859.3622	230730.7175	155205.6682	258433.5467	233909.2938
1.28_412.9635m/z	412.9635109	1.278416667	neg													2567.793166	3364.578664	4132.849623	3097.186785	4108.359713	3948.845044	4587.029964	2703.045735	2644.667578	4466.672245	3287.85731	1425.736765	3362.024206	3353.253189	3998.875803	2688.770994	4138.471014	3166.620761	3430.435329
1.28_420.0388m/z	420.0388162	1.278416667	neg													7980.724075	8451.517625	9756.334402	9964.453986	8013.700036	9790.375823	9913.836316	8809.922465	9407.440954	8745.039398	8970.933377	7380.648046	8071.257946	5873.350014	9250.53077	8141.389882	9324.953254	11993.80025	8361.089564
1.28_470.0784m/z	470.0784241	1.278416667	neg													2379.156916	3109.935715	3044.641663	6686.248855	2444.955802	910.8380326	5204.617943	0.000297236	337.5936238	1691.027648	3200.948112	1259.35449	4549.131357	2295.961238	4190.737377	2083.503095	3060.368973	3052.820549	3421.272739
1.28_488.1007m/z	488.1007432	1.278416667	neg													4094.709113	5088.262702	4850.148566	3270.716958	5485.74035	4779.519936	4820.717154	6141.573207	6561.617083	6577.064143	2899.630934	4831.235689	4423.836916	3416.21473	2316.234306	3061.03933	3869.664078	3158.924256	5355.187046
1.28_495.1478m/z	495.147842	1.278416667	neg													10625.69936	14258.3313	15470.77271	17647.134	11454.41199	11358.09898	18003.03343	10592.57153	20992.79857	10739.88949	14564.75142	12959.3012	12753.11262	12573.34023	11512.63964	9380.246515	8633.097092	10715.47068	20265.56893
1.28_541.0750m/z	541.0750123	1.278416667	neg													5630.099647	7235.895751	5097.497396	4828.494169	6801.188882	6637.463822	5688.691199	11131.46008	6139.636341	7059.204824	6402.893433	5593.96625	4882.903217	4040.423801	7917.76441	6743.677992	5735.436359	5595.152238	6532.295226
1.30_130.0859m/z	130.0858729	1.297066667	neg													324497.0993	320802.1138	310991.14	321433.0148	326800.0456	292737.0199	301845.9962	281278.9539	205958.7169	282983.2111	351321.725	290900.7356	323556.0188	321463.4272	304056.5002	322042.3734	328011.5387	369499.2162	409929.7849
1.30_131.0892m/z	131.0891991	1.297066667	neg													20302.38728	20067.64115	20063.69597	20182.92474	21538.50532	19497.64233	19228.30632	17695.25957	13100.45786	17641.36142	22959.87836	18854.01924	20036.24217	20594.51928	19575.66486	20279.40488	21191.36809	24307.6776	26328.66526
1.30_131.0934n	261.1819828	1.297066667	neg													4896.272116	4775.780716	4308.709902	4974.226966	4713.281433	4424.392619	4836.4727	4171.454325	2504.783873	3090.532854	5853.613229	3693.125394	5052.542697	5641.416492	4520.684374	5770.364342	4899.475857	5951.171889	6211.303463
1.30_132.0525m/z	132.0525338	1.296916667	pos													18210.07393	19617.7669	17488.73247	18964.60782	16218.72498	17205.09493	16504.48799	13071.37774	11723.13211	17440.97845	17023.04246	17021.52033	21789.93039	17541.78846	20487.80101	18533.97493	19548.47479	18292.18486	21762.50502
1.30_132.0978m/z	132.0977785	1.296916667	pos													15006.46829	16515.46558	11358.9693	1416.180546	1459.123884	5543.544426	5352.221998	8707.3767	13222.38606	20140.42263	10281.18022	16266.10385	5902.834225	13222.66715	17093.48739	13671.12246	17194.65901	8069.089643	8387.645569
1.30_134.0264m/z	134.026419	1.296916667	pos													7518.783132	9008.758251	8678.685421	16603.88642	4897.805281	3329.024883	9619.857856	88.32865635	1708.524542	4824.452219	11012.73196	5049.355408	11140.95906	9550.16676	12589.30005	9956.926051	10823.72442	13386.76386	7992.166456
1.30_134.1082m/z	134.1081816	1.296916667	pos													11369.34925	13839.27866	10907.54774	14031.66491	12487.85446	12060.80848	11459.86804	10082.70146	9464.374604	13465.02362	11259.45875	11574.85036	11142.61485	12867.23603	13485.80699	13205.51677	13339.0156	12449.42253	15997.25471
1.30_147.0649m/z	147.0649154	1.297066667	neg													4834.93389	5491.156292	5088.934836	4222.424042	5557.00815	5952.183197	3573.789858	11815.42576	6154.971362	5674.260608	3267.707963	4242.614812	5715.101559	5159.896136	4520.701611	3389.798374	4261.066671	4019.504368	5939.997895
1.30_148.0060m/z	148.0059874	1.297066667	neg													4030.74666	4275.788392	3899.865657	4529.932248	2597.387808	4414.236916	4259.352359	6097.756918	6507.797451	3639.711945	4063.751559	4587.525402	4629.44296	3249.985244	3079.719336	2627.864608	3324.991165	4025.118009	3427.137824
1.30_153.0763n	176.0655784	1.296916667	pos													56910.63947	57628.63063	55009.32486	59339.10956	48643.59331	47846.103	48400.42709	46329.94015	42451.63898	48698.50053	49328.0437	63177.15718	58840.20032	56379.65583	58231.27519	62307.27101	57188.47525	59708.57395	74896.74305
1.30_178.0169m/z	178.0169133	1.297066667	neg													1440.223637	1525.047506	1413.430614	1158.110843	1237.38756	1745.152456	1266.125546	1928.831612	1896.368857	1282.25205	914.2338244	1585.156378	1504.398319	957.130451	1282.622358	1122.830352	1432.023017	1229.306286	1883.640004
1.30_180.0147m/z	180.0146601	1.297066667	neg													10229.30543	8288.435722	8763.336243	17158.62648	5766.938192	3194.441544	10025.13602	691.0932432	1392.244217	4960.298	14316.06433	5076.880132	13938.14237	11288.66109	12617.37335	9600.874365	11851.77082	15041.34724	11214.64676
1.30_182.0301m/z	182.0301087	1.296916667	pos													26146.12127	27370.12196	24488.0707	51988.53071	15843.52566	10406.05778	26168.11297	1847.316222	4457.428068	19144.98479	38945.96067	17117.75681	40798.45349	32500.44699	41658.19374	28299.69083	36214.33705	41219.03869	28177.09248
1.30_182.0999m/z	182.0998561	1.297066667	neg													442.4480593	580.6780093	413.6491165	567.958676	542.1232014	395.000435	295.2419218	517.9768829	277.0422671	485.5421071	488.722193	573.7346697	510.8943949	472.2398522	374.2027564	554.4068241	458.9343635	630.9416793	472.6308094
1.30_188.0086m/z	188.0085668	1.297066667	neg													1623.880143	1481.506393	1176.355255	1120.907537	1400.432324	985.7428308	1156.420274	2079.675726	1669.116396	898.7130767	1132.187465	1699.698116	1372.546918	1209.785993	932.4980998	1088.84858	852.0376883	1124.661013	1166.431335
1.30_190.0709m/z	190.0709451	1.297066667	neg													5288.056815	5438.539381	5374.940146	6383.565785	4333.819346	7923.175539	4291.53107	5109.690655	3566.082512	4754.926402	3628.709081	7898.447577	5272.340446	4684.442661	5501.519193	3723.85587	5172.623472	5958.04602	9104.378724
1.30_198.0738m/z	198.0737589	1.297066667	neg													167046.9239	148255.5648	136557.1096	165640.8921	142542.1701	132324.2304	139457.3854	135760.3386	109004.4124	128163.5904	175402.888	155360.3829	148060.4748	144116.0042	144437.0574	164788.9465	150046.2984	180547.8292	145153.5985
1.30_215.0277m/z	215.0277488	1.297066667	neg													29256.30668	28157.36259	28718.14787	22861.30508	30854.94533	26494.77252	29929.32189	43671.43497	34186.82914	29268.56194	27658.00735	32513.87927	28145.55388	25662.16694	20609.57957	21759.1177	22582.2296	22240.87534	27880.47668
1.30_232.0263m/z	232.0262697	1.296916667	pos													20001.40693	26670.58301	25427.84453	27944.40124	20560.73021	25729.94225	22741.87502	15681.57225	18730.84271	24476.79001	26137.27992	20110.18337	28647.69156	22497.49345	23665.14555	27286.92254	25171.57877	20126.8946	25970.9467
1.30_232.9844m/z	232.9844021	1.297066667	neg													1477.230197	1688.348732	1806.047836	2336.761573	810.294609	2201.495884	1995.602784	2278.223349	2495.457701	1860.764718	1861.092812	1819.326948	1860.928475	1471.413675	1385.030289	1335.882202	1189.222691	1829.795981	1099.477192
1.30_250.0457m/z	250.0456887	1.297066667	neg													2059.854765	1711.831823	1895.249302	2125.510643	1715.885162	1599.883639	1303.416482	1787.862855	463.2879639	1349.555547	1714.232641	1452.612754	1212.229804	1775.658005	1632.03619	1850.270929	1537.494122	2201.692582	1331.169937
1.30_259.1296m/z	259.1295532	1.297066667	neg													1479.338186	1537.125176	1257.331657	661.188477	2153.338932	642.1284722	2541.932272	282.1780568	189.2332242	1885.377842	986.7218555	130.909104	2161.236664	2739.163043	2198.124411	2773.761605	2162.653622	1216.377697	2248.951761
1.30_266.0258m/z	266.025775	1.297066667	neg													4687.303862	3141.521364	2844.705002	2651.069599	3472.717918	2837.344602	4355.746082	5246.152975	2250.520445	3190.66452	2527.919905	3845.773817	3909.53563	3774.677146	2384.376912	2499.660882	2559.778951	3009.277017	4126.425921
1.30_266.0621m/z	266.0621293	1.297066667	neg													68139.28714	60378.3694	54611.69273	67133.97714	55478.28203	53867.79961	61520.54367	52920.52431	46594.00791	59485.3329	71761.70881	62572.89126	61402.15853	58126.60657	60760.77801	66677.62306	58679.08515	73041.60186	60048.61561
1.30_272.9778m/z	272.9777573	1.297066667	neg													1390.011532	1393.076913	1130.406535	1083.732748	1161.959908	843.9891968	1094.57349	1241.381661	1144.003109	840.2182935	1709.770924	1247.014059	1915.956746	1280.19524	1130.292801	1307.618143	1469.752049	1776.734984	1633.029756
1.30_283.1637m/z	283.1637109	1.297066667	neg													46969.31589	42794.68116	33873.49482	42653.35953	38976.5927	31695.18845	32971.19026	38683.68804	28836.57469	29485.90329	52511.59462	43051.61945	37223.43893	38665.88187	38743.98703	48227.14377	38503.07428	52191.08258	40574.93512
1.30_317.0204m/z	317.0204141	1.297066667	neg													10725.27275	10651.63365	9980.232007	11197.34493	10089.44699	9538.694801	10829.02961	9109.596799	7578.683843	10267.51511	10535.40349	9795.970101	12321.25986	11442.18908	11500.48779	11701.28582	11590.2914	13022.65515	12642.9314
1.30_318.0330m/z	318.0330065	1.297066667	neg													4846.571596	4242.23202	3752.810145	4123.761585	3664.287605	2373.411878	3108.524304	2947.679135	2341.392461	3578.680837	4010.551938	3190.395903	3936.845541	3053.368479	3663.930629	3824.214101	3378.257954	5011.492323	2872.48318
1.30_320.0025m/z	320.0025147	1.297066667	neg													1166.715562	845.1420502	860.360672	976.7400436	728.4379629	647.1464364	1033.473696	1005.58903	1302.318748	770.5280133	1164.184178	1243.702717	964.8366662	793.8855954	883.211672	1333.808576	788.9372626	1096.839793	936.085529
1.30_404.0886m/z	404.0885649	1.297066667	neg													15204.69196	15154.81391	15556.62237	15413.80485	13746.832	11818.34955	14488.56532	14092.97561	10880.37329	10971.1184	14214.00821	15714.13203	14015.72531	12852.5322	13529.14824	14384.19474	13515.42873	15678.1392	16469.66153
1.30_418.3155m/z	418.3154541	1.296916667	pos													8003.295103	6978.343006	10431.77506	10823.33852	13388.07	10955.13841	11822.91983	6838.693605	9822.9082	7105.456773	10532.35874	9187.330684	8653.084985	11797.43503	10417.78982	4693.68852	11308.41692	12690.54842	9186.889261
1.30_430.1011n	429.0938537	1.297066667	neg													59213.70837	42554.89524	42233.48775	50229.42745	41617.56965	36916.2725	45860.37449	43679.77149	38520.11109	40435.18718	45650.29494	50092.65986	51114.32627	45527.62866	50087.66782	50040.49828	43040.07096	59084.86071	46050.22725
1.30_445.1880m/z	445.1879548	1.297066667	neg													17152.71497	11539.92739	10530.06586	10446.28001	9613.888921	9125.567381	11050.19748	11029.46755	4572.215892	9759.669902	9396.012745	12318.66397	14839.38629	12057.0085	11763.41756	11905.16926	10837.25233	18190.61207	13708.6237
1.30_447.2026n	448.2098265	1.296916667	pos													81064.27205	89429.99844	91866.30775	100948.9231	69029.76838	81233.09677	88648.08508	68692.17519	46557.04151	74459.0768	93531.22767	89928.51879	84489.46116	85714.62052	87672.89039	79162.38422	89425.43608	90862.22751	116317.4968
1.30_514.1831m/z	514.1831171	1.297066667	neg													24110.6597	19416.11072	14800.41374	18024.06834	18835.65468	12453.86235	16516.60661	17707.9534	11895.19212	12178.25198	21942.81796	20886.45331	19209.2294	18458.1596	19689.77334	20943.23561	16202.50524	24517.02674	17243.0791
1.30_540.0635m/z	540.0634918	1.297066667	neg													3381.803743	2566.404581	2777.885099	2533.061013	2482.586328	3153.956289	4030.439907	4475.22554	2179.1655	2644.17525	3714.016886	3670.814589	2062.787739	3497.152517	3094.193109	2805.40839	2594.870201	5091.733587	3313.161671
1.30_556.1248m/z	556.1247664	1.297066667	neg													18129.78779	27514.71067	28671.16024	21700.20452	22785.77482	26660.12979	29222.20296	17132.26853	16913.01713	27080.14064	25211.31661	22070.53175	26721.39258	21760.08501	25973.05453	29267.95454	24307.16601	24141.33276	27281.34353
1.30_572.2150m/z	572.214962	1.297066667	neg													8245.801484	6223.000851	6215.970576	4892.292854	5291.845755	4046.879787	5509.88202	6206.516349	3764.467884	3985.048288	8524.700775	5758.898827	6512.299083	5402.668747	5531.922898	7540.399176	6429.996544	9314.001826	5981.235118
1.30_574.2871m/z	574.2871145	1.297066667	neg													14617.41238	12319.3261	8097.022751	11254.33945	10193.90054	8102.621035	9087.203976	9894.719176	7021.646267	9716.683512	10834.63494	11805.28269	13825.04448	11834.16622	11487.89745	12837.64638	10492.47339	15328.75483	13993.31286
1.30_576.2488m/z	576.2487517	1.297066667	neg													13521.1228	9648.343592	11512.04809	6508.607031	12853.71125	8770.778407	13507.99939	16197.03327	7674.066922	11297.55372	12565.25267	12429.69299	13289.20937	14273.50627	9409.096276	8659.492863	6815.106951	10026.35848	15712.2729
1.30_576.2826m/z	576.2825822	1.297066667	neg													259920.8102	215541.8456	181416.106	223294.9207	195412.172	159165.9875	191144.5501	177158.0272	133805.3692	165638.0257	225890.0912	220205.3568	245249.2167	220562.0963	231897.9726	238521.2834	197367.4722	293914.5033	255373.5441
1.30_582.1710m/z	582.1709512	1.297066667	neg													18723.52145	13781.87114	15007.91686	10539.52593	13746.98037	12310.93505	15657.31229	13311.91949	5776.812841	11956.27986	11190.64933	13048.84059	16171.53278	15913.46106	13026.86831	15060.29675	15650.24725	20822.3558	14792.56514
1.30_624.1117m/z	624.1117144	1.297066667	neg													6172.531787	8610.821385	11265.00732	7269.36845	8378.010302	7307.671778	8149.626829	7004.89484	7755.713416	8256.405721	7693.480136	7984.2474	7644.535795	6467.999552	8619.489706	10134.81831	7805.001883	7982.748952	7068.320398
1.30_626.2111m/z	626.2111165	1.297066667	neg													3358.461974	2991.005325	2929.807159	5560.271731	1344.721329	0.000297236	2382.800259	0.000297236	0.000297236	793.7145575	4745.715623	1321.952402	5416.334965	3533.784034	4001.287196	3333.164936	3729.027548	6951.166256	4899.605992
1.30_640.2032m/z	640.2032036	1.297066667	neg													10574.90363	8375.206621	8545.32547	7728.406088	6411.724582	6972.377986	9519.752327	5524.537131	3177.668964	6486.109367	7426.497888	6379.998505	8796.557273	9927.562615	6894.557921	8228.862006	8492.56066	10813.9273	9489.411973
1.30_718.1457m/z	718.145707	1.297066667	neg													2858.561437	1810.57238	3140.802979	2425.420571	2142.50405	1669.254397	2778.620576	3004.086043	2142.608277	2386.726022	3178.459965	2809.911748	4457.836839	2139.022532	3522.641202	3135.169849	2567.171913	4952.56673	2457.131284
1.30_872.2320m/z	872.2319667	1.297066667	neg													2353.491635	3059.744666	2990.186155	2466.634873	1179.932944	3102.297334	3425.296287	2326.368751	1932.334982	2287.767116	3658.591882	1218.598824	1699.443224	3971.025791	3664.871638	4107.638279	4159.404731	1824.486438	957.5815464
1.32_121.9425m/z	121.9425317	1.317533333	neg													1111.060356	1133.234486	1061.319021	996.0492354	1074.64307	1065.228971	1194.93328	1147.581888	910.1827562	1067.060786	1132.501643	974.7711356	934.1904618	1112.56799	1188.438612	1115.053784	1030.749393	1214.306798	1030.378745
1.32_215.9940m/z	215.9940454	1.317533333	neg													1639.939224	1654.933742	1426.270094	1865.775599	1049.721015	1531.071967	1736.215782	2396.441868	2790.83838	1180.933603	1453.082148	2058.859838	1590.543565	1022.051039	1437.613541	1152.985768	875.6687318	1966.918621	1100.0082
1.32_244.0669m/z	244.066902	1.317533333	neg													309.7065359	247.8888232	396.4062042	188.065781	301.1864478	232.4534408	376.3127434	162.6810999	192.0564003	331.1722259	214.6041124	327.9436597	570.7738842	126.2839159	334.9905731	225.7644325	163.8180082	238.8447162	291.5784799
1.32_256.0801m/z	256.080053	1.317533333	neg													1983.068836	2319.858356	2105.475553	628.2477718	2667.871231	680.3521549	932.2639574	4611.789578	4017.88951	1241.404969	1285.761128	2722.993714	1353.789422	1990.409455	1508.815034	1098.906355	1224.810237	795.4567279	2350.564699
1.32_256.1164m/z	256.1164381	1.317533333	neg													18398.8671	18576.68309	19025.32756	9440.369256	18551.22309	7691.839849	9862.816429	18780.96789	16776.46038	9139.116924	15502.76292	19217.58829	16082.87311	19975.34996	16862.07497	14078.23969	15824.43807	10948.51269	20633.92896
1.32_258.0596m/z	258.0595858	1.317533333	neg													1458.719682	1208.936789	1054.264691	1353.224208	953.6999414	1534.530551	788.3697955	1058.622542	846.4720391	1212.81853	1012.09742	1853.85572	1249.737024	1024.165009	1461.059779	1011.544039	1199.14658	1147.366816	2064.359396
1.32_268.9891m/z	268.9890767	1.317533333	neg													257.9237928	231.2525611	293.2428417	349.6315576	255.3842057	303.3468098	295.1197461	176.3656513	374.945984	293.176855	423.1032075	188.0374255	274.8762448	515.8663261	405.2165877	296.7086452	248.5676149	227.8449698	395.042174
1.32_283.0524m/z	283.0523646	1.317533333	neg													2705.864251	2334.946921	1833.482483	2379.298097	1894.904203	1779.557779	2664.123112	2230.453743	1501.962064	2124.209185	2588.113424	2350.119834	2436.193353	2013.571578	1894.607715	2724.190029	1963.684153	2761.556516	1958.811059
1.32_284.0255m/z	284.0254563	1.317533333	neg													1130.907212	819.2543012	1118.058581	959.0575483	614.0958911	1193.582827	1086.899329	792.7915673	216.0315022	861.9331619	677.8483322	777.1377388	1120.826867	1143.932703	930.5050298	841.4111003	1268.043138	1515.525514	1129.992844
1.32_293.0078m/z	293.0078418	1.317533333	neg													4642.215267	3191.195907	3885.253437	3846.860908	3774.618949	3702.754777	4211.942802	3218.315728	1920.671466	3786.493801	3526.348331	3360.690704	4131.473152	3478.906374	3656.968824	4420.736254	3407.753619	4945.952467	3596.075681
1.32_302.9732m/z	302.973238	1.317533333	neg													1300.971426	933.533538	798.5353559	1400.868498	794.4354679	965.7180881	1218.225168	871.7047068	481.5727272	1482.541488	895.6104641	436.3793254	1029.352159	975.7597406	573.1289544	975.9334709	951.2276775	2234.938155	959.8080954
1.32_321.0149m/z	321.0148929	1.317533333	neg													6480.126843	5911.516401	5297.686671	6440.984008	5711.025819	6896.742345	7344.515259	4730.649315	4151.040785	6920.166218	6462.59546	6277.749873	5910.679219	5713.830926	7086.44955	6694.811059	6594.45763	8008.728388	5285.827705
1.32_327.9879m/z	327.9878646	1.317533333	neg													4744.692616	3143.350401	4065.854691	2430.186745	4281.050556	1997.612736	2503.127881	6797.451432	4803.416132	2534.844234	3226.75612	3618.918716	4273.386934	3532.30253	3960.740588	3403.407602	3089.419408	3699.325835	3750.984796
1.32_333.0516m/z	333.0516124	1.317533333	neg													8708.906041	8872.08332	8588.170354	4473.350381	9643.006953	4241.161935	5249.887362	11494.83553	7041.852381	5120.988361	7692.788135	9011.810854	7814.303784	10651.79125	8725.326339	7698.376687	7729.850988	6748.230489	10629.97598
1.32_333.9764m/z	333.97636	1.317533333	neg													4307.489759	2730.159157	2717.492324	3068.620252	2487.416914	2854.653516	3116.722854	2141.428076	1246.661123	2828.710918	3355.725971	3014.646133	2210.265923	2126.686758	2795.565118	2997.353608	2512.31881	3899.883653	2628.910632
1.32_342.0095m/z	342.0094962	1.317533333	neg													748.7811504	564.811579	860.2649939	787.1043705	438.4942354	761.7442125	778.4538048	353.5050009	468.3441988	766.4953265	772.433713	650.9396777	421.9582647	672.4535583	544.3897692	588.8514982	334.6889627	571.7289119	362.1033545
1.32_348.1030n	329.0851389	1.317533333	neg													20825.23403	23557.9991	25199.08757	29504.01783	24812.08822	30130.2272	25941.93351	30161.78262	21775.2192	25728.6519	21014.22618	14346.78457	18370.15984	20115.53115	21139.57258	18746.5063	21339.29917	21911.48995	24256.96208
1.32_356.0415m/z	356.0415027	1.317533333	neg													982.3224593	1140.615418	1209.822627	238.7368268	805.6701109	543.27793	602.5959311	1228.179898	825.6928495	443.6348188	1198.497275	1042.621894	740.9783641	1257.218181	924.4303767	915.6974011	814.0655531	536.578775	1095.273253
1.32_356.1211m/z	356.121134	1.317533333	neg													3498.356053	2879.683433	2589.128956	5431.630363	2073.297687	5187.278003	4196.353206	2950.564351	1788.239108	4267.520891	2924.080605	1786.637482	2350.824614	1801.982041	2749.248273	2795.068425	2350.174336	3806.455307	2907.372056
1.32_389.1873m/z	389.1873186	1.317533333	neg													977.8436173	1248.669703	787.572876	572.6448662	1114.583891	374.4032487	357.5806294	912.8422567	253.4920636	405.4876222	961.2798201	705.3564391	938.3951549	1182.269621	1115.586014	829.6424331	951.9915877	542.235533	1084.815893
1.32_418.1407m/z	418.1407382	1.317533333	neg													29066.60185	19128.98206	24220.54985	12487.8752	18611.35768	13980.48238	17978.69701	21924.074	5322.15631	13416.79196	12054.17809	19722.965	20212.58265	26116.66406	18825.09639	17821.40003	26860.2921	28428.9955	24351.2152
1.32_418.1693m/z	418.1692671	1.317533333	neg													796.8833717	803.3707194	764.9263077	0.000297236	647.4726208	207.3873753	408.9472483	4937.949349	4746.078408	0.000297236	459.9014362	845.4080577	245.3379138	612.6976655	334.5634859	306.762526	316.840496	275.7218546	277.887006
1.32_446.1356m/z	446.1355853	1.317533333	neg													1686.640035	1357.797759	966.4727882	1093.619293	582.1691279	2130.727455	224.4660868	904.6383716	254.584655	1654.027535	632.5826695	612.387682	997.2335058	679.860849	750.4368441	1153.560555	1158.798304	2306.246877	1526.484238
1.32_459.0807m/z	459.0807272	1.317533333	neg													699.3538754	699.6916904	890.7209279	0.000297236	830.895833	0.000297236	203.6960214	3214.369723	2360.418704	0.000297236	232.2083305	1079.901741	571.0988873	1314.102692	821.6734719	474.6582362	681.7288451	316.1792885	789.9324977
1.32_555.1208m/z	555.1208031	1.317533333	neg													8835.727151	7075.333987	6225.286621	6634.377036	6055.649561	4080.950548	5507.971633	7641.005693	4849.740244	5631.836401	6904.20748	7610.80111	9491.766038	7470.237367	7097.634691	7358.922704	6369.259074	10388.44471	6575.477834
1.32_654.1014m/z	654.101392	1.317533333	neg													670.5293708	531.6309817	822.6599805	0.000297236	962.1565164	0.000297236	0.000297236	2483.788969	2189.775715	312.3820816	208.9494197	842.5560425	436.3008086	1048.281562	876.4473768	470.843515	488.7291704	331.5907649	445.9581989
1.32_776.1856m/z	776.1856118	1.317533333	neg													1565.193403	1686.113631	2373.749512	563.8399479	664.7489547	1823.254918	334.2784826	740.9873148	0.000297236	1092.227164	1557.107666	1450.126856	2799.679474	2102.498737	1444.520129	786.6235897	3093.171376	2347.516511	1683.502611
1.34_104.0458n	103.0384755	1.336933333	neg													83342.03823	90482.07472	90242.09262	42153.63403	104205.4633	48191.09609	49289.24225	256091.6971	208119.2987	52627.0501	67675.15695	97896.85291	69459.97877	97652.66448	79705.43712	61160.26687	72212.56602	52944.98051	88685.1291
1.34_116.9624m/z	116.9624175	1.335283333	pos													428.7892457	600.7048335	555.0628191	400.9934349	515.2650486	238.0744925	411.0079412	836.1722894	731.3977791	232.2879607	280.3693373	498.4043881	476.3782334	499.9057509	325.9374171	371.9096695	491.5849865	431.570804	373.7989897
1.34_149.0186m/z	149.0186145	1.335283333	pos													8988.375215	10210.91521	9357.253334	2518.659918	10710.91496	2834.619822	3711.135388	33266.2441	25885.25793	2668.209517	6149.868996	11318.1039	6984.05478	12039.41567	9439.915928	8024.526485	8073.621493	3867.832815	9416.425003
1.34_157.9898m/z	157.9897574	1.335283333	pos													2017.83669	1803.567735	2502.840967	708.6226766	2246.223616	662.9927745	1046.894647	5169.213107	4393.477368	611.0751903	1514.803976	2400.59722	1810.155764	2262.358277	2043.446347	1438.372812	1634.648096	909.2592308	2342.103308
1.34_160.9974m/z	160.9973948	1.336933333	neg													7919.838962	7906.912261	8289.623824	3510.990734	9615.363184	3239.357916	4373.430577	17139.89771	15262.91755	3538.813345	7199.628324	8572.744939	6634.496745	9243.675163	8074.056428	6898.125287	6520.709429	4755.393588	8643.210961
1.34_162.9945m/z	162.9945376	1.336933333	neg													3012.169948	3132.458735	3162.903193	1437.901595	3457.256645	1361.193079	1926.961261	6240.880765	5346.356388	1541.274098	2491.235202	2972.601112	2536.373747	3607.414921	2873.551023	2446.577903	2657.489586	1915.342469	2901.327227
1.34_171.0203m/z	171.0203074	1.336933333	neg													337.392502	297.9792813	407.1164894	295.6827048	457.0914954	193.5450373	220.1525222	348.2201519	233.9465321	273.6162203	350.9643413	293.2118609	290.4394946	405.9761656	429.3797674	283.0012925	304.1888091	316.552908	390.1234007
1.34_171.0263m/z	171.0263204	1.336933333	neg													128372.222	134735.925	138232.7177	67995.75879	149468.7066	71511.2239	82946.51521	249854.9659	221749.2427	74264.98514	111969.1875	141026.67	112516.1498	143808.3038	123613.9805	105393.8125	114442.0191	86943.02433	135421.9462
1.34_172.0603m/z	172.0602994	1.336933333	neg													489.3781385	400.8061723	466.363451	434.9188993	823.7929055	690.956214	424.6260709	1064.076768	800.5340295	646.1072474	259.4902416	512.0507107	335.7024466	396.9507364	345.4275769	338.9407687	415.554417	385.6764138	416.9796081
1.34_192.9351m/z	192.9350562	1.336933333	neg													2191.359389	1839.97114	1864.39014	800.1590888	2048.71147	765.2817882	1219.691227	4251.902235	2754.114884	776.6652409	1326.659074	2172.272408	1819.056649	2025.692199	1672.55004	1728.26982	1671.268856	1218.88168	1735.288452
1.34_198.0049m/z	198.0048647	1.335283333	pos													1802.803208	1606.683557	1505.968971	296.7164849	1923.608547	300.3553913	402.7545958	3898.211806	3665.611486	233.3544105	1133.294702	2279.202763	1207.397176	1526.611418	1646.282414	1007.430744	1022.252559	599.4282837	1716.167721
1.34_199.0216m/z	199.0216243	1.336933333	neg													679.4815905	680.2244245	802.5138248	247.1197052	673.0974889	308.0882859	280.5285411	1019.246421	1108.105098	223.9371896	532.6739974	637.3440262	545.0135283	703.4601654	363.4051793	519.1212533	631.8616901	343.7572215	589.6783034
1.34_200.0002m/z	200.000236	1.335283333	pos													29973.89828	27767.97904	29444.61374	9825.932601	31531.6643	9166.68417	12818.2743	70138.61444	57263.02586	9768.716651	19712.78486	33119.25108	22799.01649	31426.39915	27119.5931	20898.03185	22676.40602	15923.90051	29010.10447
1.34_200.9685m/z	200.9685224	1.336933333	neg													593.677372	529.2066311	573.9392055	201.6137139	661.5573984	258.5220956	312.6864501	857.9527493	1250.58225	199.5432791	417.0913481	531.2311407	464.2461675	663.8141441	327.5981505	507.8980998	471.4871108	334.7413218	484.7512076
1.34_201.4757m/z	201.4756592	1.335283333	pos													325.5177679	437.4710557	248.7784919	0.000297236	263.7706764	0.000297236	182.3036592	738.5682561	808.6750465	207.4723101	111.422876	92.96890136	333.762395	170.3227144	174.7445596	382.3680098	138.7476318	292.8916802	366.7408211
1.34_202.9355m/z	202.935505	1.336933333	neg													298.5836785	312.5750188	268.1571985	92.38962683	353.3230803	66.51807014	121.322245	601.4235655	497.1331523	83.43583307	178.9209974	312.515659	326.4036842	353.1696943	239.007289	300.3401545	283.3949135	219.1061192	290.0972944
1.34_203.9712n	202.9639554	1.336933333	neg													15179.75441	13779.4656	13255.95532	5994.188347	15239.70902	5669.752328	8493.137762	28238.0675	24870.73671	5799.208346	11694.32489	14669.7833	10559.95419	14909.06069	13063.13891	10904.75423	11372.04374	8603.230796	12968.09191
1.34_206.0121m/z	206.012119	1.336933333	neg													133.6713113	130.3994133	159.8922356	98.52517508	136.956505	103.8336357	54.72761554	319.5628919	80.97787353	123.4115338	52.80915294	175.5885467	73.47946233	0.000297236	130.4118407	40.31113466	106.6730649	168.5551378	238.774558
1.34_212.9836m/z	212.9835638	1.335283333	pos													1451.976669	1476.744698	1169.729286	1838.017136	1233.05118	1017.158973	663.7225833	2225.755172	1602.409684	1175.272945	772.5887797	2027.14757	1114.150383	1044.350151	1083.91384	1410.835913	1807.571707	1377.084198	1081.334733
1.34_213.0086m/z	213.008624	1.335283333	pos													3397.447203	3515.780378	2794.303378	3611.819453	3594.499033	3623.104017	3093.303086	4405.463308	3773.362327	3708.716429	3565.79194	3979.16545	3816.151406	2898.596442	3500.514025	3343.860296	3148.385777	3872.271085	3509.636549
1.34_214.0326m/z	214.032581	1.336933333	neg													2100.710503	2016.084398	2045.275731	1838.683778	2143.522483	2116.886349	2164.923966	1993.693531	1963.799291	2177.600893	1950.679928	1902.008297	2085.466456	2035.997782	2159.836183	2082.50979	2063.738606	1992.443115	2163.192932
1.34_214.0761m/z	214.076135	1.336933333	neg													6603.689423	6724.223202	6586.542664	1944.042439	7286.866157	1764.412671	2582.10432	22842.29009	15931.0173	1984.034818	4946.414015	7586.205795	5760.950413	8233.722083	5830.699565	5570.679035	5541.818575	2900.830165	7184.142423
1.34_217.0029m/z	217.002933	1.335283333	pos													11044.95279	12045.09063	11042.0653	5024.678815	10976.86481	4635.614694	6040.086035	19745.67237	17970.32362	4247.908661	7940.79163	12122.92484	9985.329551	12556.50805	11625.04294	8509.769376	10314.94	5960.569895	10110.27612
1.34_219.9544m/z	219.9544125	1.336933333	neg													693.9165296	567.6823823	477.8055683	209.2536914	522.1462075	243.6524476	222.2401284	843.926288	807.8444089	242.6785373	394.2240901	586.9197114	532.8973344	491.7734658	451.1875464	572.5950717	472.7453225	326.5519932	551.7440714
1.34_220.0642m/z	220.0642491	1.336933333	neg													1698.36543	1726.096411	1835.008566	1506.560174	2057.49912	1559.891729	1831.209924	3481.371966	2691.458189	951.887528	1579.841461	2373.974882	1824.407427	2210.806861	1698.930504	1544.19875	1474.729541	1938.212909	2313.065792
1.34_220.9747n	203.9713849	1.335283333	pos													14376.06021	16715.50936	16254.60468	7166.748827	15309.76023	6496.905011	9114.556599	22938.26587	23618.7572	6396.340798	12876.84907	17567.10645	13425.40906	16481.13903	15372.63577	12806.35215	13728.11935	9352.666822	14807.50477
1.34_222.0091n	244.9978932	1.335283333	pos													41665.79417	48460.59133	45209.90047	22220.18224	48084.45335	20718.57613	25725.83493	62397.98222	73584.94494	21458.93577	36135.34628	53036.0054	41186.18121	51870.02988	40909.96029	40502.52619	40627.31957	27451.83898	44244.52982
1.34_222.9982m/z	222.9981685	1.336933333	neg													7607.009564	7215.633477	7314.566693	3045.43743	8961.369507	2843.752625	3985.289253	15242.79192	13335.50169	2849.358712	5549.4986	7800.262998	6172.629889	8643.073812	6980.953487	5911.260681	5938.114375	4661.524002	7061.197286
1.34_228.9856m/z	228.985627	1.336933333	neg													2594.756399	2714.632452	2743.686647	1282.009069	3196.661302	1028.000242	1616.344038	4715.891983	4276.528361	1270.319116	2551.576356	2932.445817	2548.923651	3092.973676	2599.548727	2191.144611	2438.556298	1640.684537	2550.470316
1.34_229.0687m/z	229.0687455	1.336933333	neg													70857.64179	69719.97883	72292.32241	10628.07216	92050.06603	12694.13903	21399.91542	293306.4764	235338.2336	13485.97243	43250.78152	82322.69853	48720.5756	94060.1379	64459.46152	47101.63273	49014.83346	25426.0487	77194.13498
1.34_229.9889m/z	229.9888964	1.336933333	neg													65.17658247	111.4611759	113.6348756	0.000297236	118.6956912	0.000297236	0.000297236	211.843507	96.8958497	0.000297236	66.53737041	35.75790113	0.193815989	107.9365368	44.2094009	56.73813225	49.00908531	48.77285638	29.15995318
1.34_230.9824m/z	230.9824306	1.336933333	neg													784.2423017	956.2693506	765.217429	411.8423652	899.9069035	306.0934993	391.9967822	1358.090734	1364.446175	327.9871884	785.1465271	912.3029401	761.5493567	917.6444406	915.3956066	516.5512307	657.6345217	442.7086789	816.649058
1.34_239.0145m/z	239.0144787	1.336933333	neg													49933.23783	51284.48102	52274.2914	30562.87706	53551.20006	29880.18998	33594.47085	89667.68671	80707.8788	31218.41183	44781.34778	54065.58298	42243.13615	53079.06727	48135.75364	40149.29652	43225.97074	37030.95411	49597.43977
1.34_243.9676m/z	243.9676092	1.336933333	neg													2098.948707	2087.571553	2083.146947	715.6957354	2414.866237	642.1702526	699.687781	4972.811482	3872.698561	765.0805144	1538.322139	2346.257761	1597.325384	2507.118155	2138.704926	1725.186711	1884.513158	1176.389035	2074.199099
1.34_245.9465m/z	245.9464773	1.336933333	neg													6824.426907	6961.509036	7099.806007	4983.826502	7866.406459	4471.667323	4895.377467	16420.41262	13606.02529	4523.645444	6748.485669	8199.045907	5780.03329	7390.282265	6787.294958	6110.907838	5710.88243	5161.44392	6730.764473
1.34_247.9622m/z	247.9621892	1.336933333	neg													8179.185021	7521.096575	7897.696402	3549.397556	8376.284917	3636.845392	4742.461168	13029.10463	12219.81254	3960.385931	6793.367742	7499.813704	6081.793678	8416.778093	6972.276801	6093.730192	6179.486662	4957.914792	6979.414817
1.34_256.0048m/z	256.0047576	1.336933333	neg													2552.324039	2783.563478	2639.668608	1177.378548	2749.571162	1064.551846	1461.021671	5387.819082	5568.399918	1204.609135	2481.410463	3131.581588	2394.01764	3310.491578	2660.284764	2274.205034	2179.902566	1517.599342	2664.210842
1.34_262.0132m/z	262.0131629	1.335283333	pos													25291.41431	26072.14486	26314.96423	3786.656311	30867.31903	3667.085614	6626.165132	103834.8749	81248.45693	4253.823996	13589.41249	32279.53864	17875.64139	32933.6001	22996.98817	17637.61287	18611.7938	8354.579849	26657.39323
1.34_266.0130m/z	266.0130153	1.335283333	pos													2210.814538	1408.851918	1628.541328	2700.052001	2792.039087	2950.012224	3105.188453	1596.987456	2643.086705	4189.337359	1809.147994	1400.076953	1924.74432	1419.356395	2097.604641	1849.307723	1536.108319	1189.955328	1376.471526
1.34_266.5168m/z	266.5168219	1.335283333	pos													17558.8832	13781.58946	16880.98731	16052.59682	23754.4964	17753.14192	16364.12116	22113.2695	23429.36698	19157.92451	16307.74257	15360.89322	13848.32308	12507.18557	11198.48474	14534.14766	13481.33591	12399.86171	15058.28044
1.34_267.0181m/z	267.0181421	1.335283333	pos													2369.304486	2905.107538	2070.68816	1987.548628	3420.444597	2686.586937	2133.661554	3775.145723	4008.109978	3036.857836	2476.670254	1842.455942	2781.83492	2243.7748	1962.172767	2183.199178	2015.703351	1849.685182	2412.999322
1.34_271.9595n	270.9522537	1.336933333	neg													11438.13885	11090.33058	10820.68026	4711.426239	11951.143	5104.217516	6507.241595	17977.29956	17662.3814	5222.837435	9527.722322	11738.75803	9167.412369	12078.58039	10860.0616	9964.073031	9371.546107	6661.916061	10332.22564
1.34_282.0298m/z	282.0298271	1.335283333	pos													1259.259374	955.7102248	872.4955902	0.000297236	874.4350047	0.000297236	172.4307079	4276.486819	2417.413981	252.6015486	760.7018989	941.638897	908.4562561	992.883406	1064.197702	791.9469152	884.6368935	698.3889288	1250.623271
1.34_283.0412m/z	283.0411689	1.336933333	neg													1650.004204	1623.728101	1545.10057	891.4287809	1937.951742	864.0112784	968.4897501	2758.08659	2420.438773	785.7841093	1203.144733	1639.79179	1566.828053	1725.450091	1751.772835	1015.858398	1244.597354	917.6642825	1807.344097
1.34_288.9877m/z	288.9876514	1.335283333	pos													7311.786738	9454.626082	9335.391362	4694.459007	8007.407715	3956.701156	4228.270455	16885.39528	14892.86252	3163.649378	6064.367055	11543.73026	6843.279349	9616.196735	7543.981302	7050.3422	8413.024783	6109.659329	9163.47106
1.34_290.9862m/z	290.9862132	1.336933333	neg													4305.697133	4520.746116	4549.29587	2087.85649	4887.15088	1585.91929	2507.494134	8966.579184	7732.280424	1710.972211	3749.635154	4401.673615	3727.319629	4986.073692	4145.88023	3724.294032	3590.866588	2719.368486	4346.971286
1.34_296.9735m/z	296.9734702	1.336933333	neg													5550.79295	5328.481974	5751.058323	3111.580981	5790.987543	2682.50984	3483.022896	9351.012181	8219.267143	3387.260709	5590.32471	5724.662146	5432.618843	5610.078669	5634.282301	5126.612335	4617.215815	4182.179927	5537.020525
1.34_300.0508m/z	300.0507562	1.336933333	neg													1079.538703	800.0092597	1030.208383	174.8725852	985.8119173	280.6207253	324.6000369	3256.899702	2458.335964	294.8889129	635.9108679	1142.23475	858.2112553	1190.417737	725.8654871	795.0543141	729.5631122	423.4071748	920.672325
1.34_304.0476m/z	304.04762	1.335283333	pos													2859.055748	2282.132024	1920.036758	393.5683954	3644.748924	227.7218307	249.3035703	13025.1752	10121.08057	285.236018	1161.473749	3475.150492	1810.667244	3283.996724	2558.998754	1513.830424	1649.690939	799.0895404	3692.634869
1.34_304.0629m/z	304.0629012	1.336933333	neg													2139.75558	2014.894838	1855.21393	2797.888331	1477.638988	3061.22151	2330.026584	2331.117008	851.5841169	2207.285766	1231.295966	1242.443924	1386.612052	1357.746499	1319.047949	1249.874713	1524.748255	2522.81181	1855.660562
1.34_307.0024m/z	307.0023733	1.336933333	neg													30386.68891	31734.20316	33526.27	16747.82271	33866.62772	16076.54514	20860.71398	53422.35211	49294.54411	17031.67182	28393.77694	31635.00724	26071.82783	33916.21687	31098.3577	26938.17354	27216.18646	21969.1844	30743.7475
1.34_311.9555m/z	311.9554753	1.336933333	neg													2715.63159	2173.206208	2936.67035	1037.932022	2231.012688	959.5704033	1388.633348	4743.719577	4056.606271	1113.086593	2091.303853	2125.86377	1952.33388	3032.012528	2546.38544	2118.782457	2243.428484	1321.159844	2244.454952
1.34_312.9670m/z	312.9669859	1.336933333	neg													815.5532142	764.7833295	918.8593889	359.5632111	1001.72211	163.4351608	322.2472175	1379.662404	876.987524	377.9590507	368.2604816	963.0211956	788.148732	865.474039	948.6924077	626.0878296	616.0300853	461.5480947	911.0723464
1.34_313.9343m/z	313.934309	1.336933333	neg													3521.806884	3952.296044	3784.078669	2534.578341	4055.549599	2485.180482	2980.548215	7544.73138	6921.388539	2551.003145	4334.712388	3888.362451	2966.629722	4102.176107	3601.191532	3463.578678	3089.044417	3187.538031	3179.724553
1.34_324.9998n	323.992545	1.336933333	neg													3917.899336	3566.811775	3879.841383	1913.656055	4293.180283	1895.847909	2143.089928	7732.236544	6173.325558	1525.162212	3395.090563	3676.127192	3099.644907	3908.374501	3564.473197	2694.56588	3324.435015	1920.872109	3264.843363
1.34_328.9940m/z	328.9939743	1.336933333	neg													1154.039416	962.554519	1117.676987	299.1933975	1737.051095	157.2648634	307.2770035	5063.351653	5149.091851	261.7001389	765.4676529	1429.314924	470.6291201	1739.156069	1332.707145	845.1250637	903.9936471	437.8709487	1027.204531
1.34_338.9395m/z	338.9395148	1.336933333	neg													8137.024098	7687.02346	7302.100295	4068.836331	7742.804405	3834.979952	5338.518729	11925.11028	11590.90436	4142.033086	6749.352786	7402.809126	6090.606649	7551.510465	7288.09056	6450.89656	6225.326163	4746.891145	6368.452331
1.34_355.0985m/z	355.0984743	1.336933333	neg													2736.271636	1546.307738	2354.138231	109.2411469	2919.834452	0.000297236	228.1747304	14975.63451	11898.81134	0.000297236	599.3233664	2058.198796	622.90756	3282.418926	1775.243766	957.557469	831.7381239	676.3817527	1563.273659
1.34_364.9610m/z	364.960992	1.336933333	neg													2145.951757	2062.87937	2060.705826	1122.950702	2512.057875	1150.970864	1602.681566	4423.821883	2543.96568	1181.001071	1934.69741	2287.347309	2053.019009	2700.229591	2163.236429	1661.325026	2111.09808	1615.246701	2426.488455
1.34_365.0436m/z	365.0435668	1.336933333	neg													12107.66151	10858.10648	13379.56608	2274.691414	14384.46263	2769.678038	4175.404598	42396.25408	19588.70327	3252.573584	5225.982706	13286.2724	8049.243008	14915.50316	10505.13859	8412.987952	11176.71651	5712.019951	11680.42805
1.34_374.9898m/z	374.9898201	1.336933333	neg													15035.65586	15817.0657	16400.34266	9013.764986	17652.23644	9013.466591	11161.584	27789.21547	25858.30299	9588.414966	15523.41752	16496.2308	13490.40358	16486.29714	15487.11473	14685.37447	14949.95044	10539.33154	14701.85803
1.34_380.0823m/z	380.0822526	1.336933333	neg													967.9541026	979.3722818	1305.784013	1434.928285	582.6392843	2774.557657	1635.204969	397.2645477	318.1538657	1315.881663	419.7602306	687.7740649	949.8322109	845.177625	587.4657519	816.3410849	853.5066535	1841.982755	1010.994548
1.34_380.9555m/z	380.9554832	1.336933333	neg													970.5350002	1194.276666	1416.664821	327.5263636	1125.727439	235.8502439	953.4484641	1408.828577	1568.589179	277.2567109	1489.297517	1054.078225	1183.528088	875.7924872	1070.972105	1392.299127	1094.722289	489.9094097	1108.269682
1.34_381.9218m/z	381.921753	1.336933333	neg													2504.883644	2324.940501	2174.101375	1548.10224	2691.207872	1330.489964	1587.267627	4932.780959	3073.135485	1277.444651	2302.151497	2612.582666	2111.95101	2417.636587	2017.747336	2188.384353	2160.365328	1787.075872	1873.287532
1.34_388.1588m/z	388.1587926	1.336933333	neg													1035.785657	1477.33434	1507.871964	281.3420274	1040.120825	864.7108641	498.3597154	4360.540675	4187.417016	448.6520479	509.8587814	765.226509	756.1601204	1228.296939	937.6777677	885.7016765	871.0050217	727.8283072	984.8558122
1.34_389.0027m/z	389.0027177	1.336933333	neg													2974.06879	2940.786705	3019.800781	3855.690303	3103.123512	3748.003036	3464.720337	1819.289294	1530.086533	3796.233711	3360.28986	2438.359423	3476.95976	2945.547202	3160.820306	3631.101432	2469.807717	4361.272	2483.131097
1.34_391.9800m/z	391.9800098	1.336933333	neg													1726.768586	1842.212139	1766.483524	1050.434456	1953.228564	1008.40054	1312.232871	3556.227096	2512.09552	808.2164954	1482.240455	2198.893563	1490.270558	1889.826445	1880.55746	1523.257212	1633.936093	1080.718593	1989.756665
1.34_394.1760m/z	394.1759668	1.335283333	pos													7555.347577	7408.876971	5190.439697	8675.264598	6593.705494	4542.562106	5051.979456	4440.775322	6905.438227	4065.172363	8065.894639	4778.25071	5085.385138	7745.995108	7218.0649	6910.138649	6552.286552	7607.398491	5255.09821
1.34_396.9814m/z	396.9814204	1.336933333	neg													2139.164465	1613.61289	1792.805947	217.3208298	2249.371427	328.9572	483.8359627	5778.880901	4866.679965	409.1623155	856.7894495	2106.526871	935.0224225	2273.566521	1634.901346	1301.621676	1421.55815	534.1008916	1537.644988
1.34_401.0389m/z	401.0388824	1.336933333	neg													3254.264449	2958.259193	3548.013805	1776.556359	3656.856349	1683.009965	2026.328933	4063.476282	2592.568766	1747.42137	3004.710711	3803.637025	3289.041515	4060.707494	3689.465484	3183.627626	2776.742828	2168.939768	3381.818588
1.34_425.0368n	470.0335588	1.336933333	neg													7769.31448	6591.495986	7106.519971	7213.262245	7335.760871	6949.843883	7647.584286	7506.82075	5264.808523	6954.260289	7000.637861	6384.556149	8328.287802	8232.086525	7221.320293	7155.546779	7581.066253	8317.018019	7498.852011
1.34_433.0311m/z	433.0311392	1.336933333	neg													5272.305093	4578.184833	5449.734833	692.6719111	6084.028405	1185.983691	1609.231356	17650.70082	14509.1314	1215.204865	3426.049332	6407.30627	3723.870958	6721.988846	5499.571409	4438.145745	4359.711901	2023.951202	4922.952077
1.34_450.0217m/z	450.0216791	1.336933333	neg													801.9701704	551.6959502	655.6495323	249.6429882	816.299571	0.000297236	0.000297236	2514.822914	1862.297995	0.000297236	440.7488835	994.3792838	418.9409913	400.8458616	1011.679239	749.0588296	393.8863347	246.1213627	619.662206
1.34_452.9334m/z	452.933398	1.336933333	neg													1409.108271	1756.42189	1532.988096	1335.720968	1372.02389	1016.227725	868.4878538	1527.072065	2308.583928	1344.930449	1706.91493	1946.311871	1233.237416	1560.852608	1754.93392	1832.991573	812.2949608	323.9690435	795.2054528
1.34_454.0162m/z	454.0161598	1.336933333	neg													879.1973834	718.9032771	844.3748085	383.9227117	1275.745579	0.000297236	226.8108315	4116.908502	3318.459113	90.41715728	175.0076032	649.1969338	260.8389291	1148.883337	607.5524101	549.6510841	270.6170982	284.9842867	595.5550136
1.34_467.0107m/z	467.0107084	1.336933333	neg													1347.447016	1226.842361	1274.360458	732.2572092	1075.454154	496.6084348	508.3196106	1751.081939	815.3133767	200.5378131	1226.566422	1447.278291	1077.738696	1501.746023	1197.679053	1278.43436	836.6099439	534.4498157	940.912903
1.34_469.0262m/z	469.0261853	1.336933333	neg													1261.436459	1533.742344	1185.30537	730.2554701	1067.334321	1133.851799	1294.918728	838.6996774	724.4405157	715.8953327	1623.377152	1542.368954	1562.696301	1374.386961	1155.079839	1630.227474	1259.678022	905.9353029	1839.105298
1.34_476.0931m/z	476.0930905	1.336933333	neg													162010.7049	172689.6453	175463.8938	153781.5293	245818.8819	196131.7912	194043.1576	237023.155	242969.6293	226429.9393	202542.4112	150592.7111	147607.9284	132081.4933	137089.6835	136849.8792	138082.7391	133267.3453	154396.2479
1.34_477.1002n	478.1074309	1.335283333	pos													184918.3634	180200.03	189109.3336	183037.3951	250994.5247	217162.0152	198588.178	243899.3996	261868.3561	227348.7566	213433.4244	182137.4131	167625.8355	148133.298	150399.1628	160121.328	163290.9874	156314.085	172907.5612
1.34_491.0731m/z	491.073105	1.336933333	neg													1693.770897	1459.62767	1547.026611	314.7602103	2287.57456	0.000297236	154.4196136	10902.73435	8808.531322	149.0924242	643.9459198	2305.711859	530.3111776	1569.434592	1461.288155	899.2317871	691.9482986	183.0588683	1131.375033
1.34_498.0752m/z	498.0751916	1.336933333	neg													38362.09622	42975.20879	43797.5565	37034.53904	56769.2858	47479.84946	49109.58566	59239.02622	59330.17804	56781.33837	50478.56667	36094.14856	36158.53071	31282.37033	30913.75157	34317.411	35507.4003	32492.63282	37183.75613
1.34_501.0184m/z	501.0184161	1.336933333	neg													2091.272217	2107.277186	2061.593201	322.4355247	2513.804469	508.2929124	776.7279224	4957.987821	4634.366911	481.3801294	1826.326047	2948.704311	1784.129077	2593.127025	2131.439558	1885.363997	1470.707223	900.1378341	1508.063137
1.34_528.0760m/z	528.0760221	1.336933333	neg													2843.996183	2458.704671	2836.464295	1392.568157	2675.775519	1718.457546	1888.746145	4184.334219	4077.973537	1745.461032	2310.201006	2615.378607	1789.195938	3218.147059	2722.015677	2719.849074	2152.576937	1883.16867	2827.751649
1.34_529.0778m/z	529.0778181	1.336933333	neg													2041.81937	3408.674693	3752.102006	1139.357146	3780.284711	1696.438388	2090.175783	4219.426097	3550.408573	1883.77498	2708.065501	1768.266126	2498.22301	2867.231583	2896.508882	2161.086194	2649.583798	1142.796071	3143.458374
1.34_531.0192m/z	531.0192183	1.335283333	pos													3616.719347	3098.549047	2947.99928	2642.193863	4616.631014	3386.009144	3610.293669	5358.6866	6621.20153	3939.54935	3542.038003	2999.627493	1920.499413	3073.929372	1462.465681	1932.222425	3723.369246	2899.765184	2652.425008
1.34_532.0268m/z	532.0268135	1.335283333	pos													5335.29264	5838.537546	6763.14518	4023.227421	7045.311106	7358.591111	4414.49109	6297.046714	8505.110615	6864.517536	6183.350564	4032.741694	3751.513932	3140.158274	3375.097547	5160.810853	3974.752227	5038.301663	3118.194865
1.34_538.0212m/z	538.0211978	1.336933333	neg													2733.227476	3323.186139	2541.00173	3124.5891	3441.345572	3086.821829	3436.43118	2206.267842	2199.605984	3152.185105	3107.908164	2946.940082	3668.441557	2924.215185	3433.331269	4266.044178	2925.889336	3360.619993	3140.905221
1.34_548.1038m/z	548.1037677	1.336933333	neg													3406.302988	3285.811651	3303.341079	3934.952927	3962.60349	3621.790647	6040.603236	3197.540167	2554.637913	4445.296385	3322.017352	1907.422487	5081.88201	4105.2745	3757.705804	3351.705302	3418.141263	3901.768248	6398.178969
1.34_566.0623m/z	566.0622939	1.336933333	neg													11034.15403	12967.3433	14395.40812	11112.70074	18001.39696	13604.85048	13838.74811	16809.64127	15630.44762	18741.95023	12897.16986	10724.87549	11057.4749	10456.09216	9652.464267	10429.17827	12129.88996	11863.57355	10811.28855
1.34_569.0115m/z	569.0114854	1.336933333	neg													679.8622403	969.1894259	995.9274961	227.9772025	1346.927218	0.000297236	209.1691399	3989.870824	2837.545786	244.3799612	678.983723	1180.637906	516.6910129	703.8392599	1030.482266	679.7693404	752.1237644	362.2840913	404.0387351
1.34_576.0174m/z	576.0174403	1.336933333	neg													1050.068656	1003.521821	1284.837891	1196.916864	1501.776654	1755.514628	1835.77137	2427.39886	2065.595687	2278.015397	1406.014812	1337.432566	667.0031858	235.3583445	867.1387578	1094.213346	956.9305633	744.1188963	1259.384239
1.34_586.1105m/z	586.110493	1.336933333	neg													2037.87877	1883.446884	2221.261866	469.0696599	2173.143471	221.7149354	781.0736783	4287.289301	4207.923996	533.4942294	1088.16288	2367.647336	1610.082191	2295.12247	2154.014377	1986.206385	1027.647303	854.4711745	1876.765014
1.34_596.0595m/z	596.0595092	1.336933333	neg													2260.736351	3560.254867	3170.714926	1530.363287	3106.679899	2344.018773	2163.119348	3880.718672	2308.070419	2183.483837	3025.299665	2802.469944	2453.633282	3212.401984	3244.095962	2493.635111	2398.209551	1883.413414	2825.042076
1.34_634.0499m/z	634.0499248	1.336933333	neg													1645.661238	1537.409556	1350.999573	1555.168451	2270.829861	1910.878228	1250.237173	1577.01352	2406.235696	2549.359756	2146.12452	1618.986138	1096.474137	729.2584311	1600.498642	1202.637348	1083.241122	460.5562059	1565.375025
1.36_125.0230m/z	125.0229585	1.356866667	neg													926.2343492	1187.546324	976.9996107	802.6887137	1015.50895	756.2644376	757.6857563	643.5281839	584.0047018	780.5193919	962.6616908	771.8552568	818.394894	707.5850357	828.3654727	957.1035037	775.6143221	878.4446657	789.4374354
1.36_173.0686n	156.0653568	1.355533333	pos													2669.622973	2207.55928	2154.027623	2026.391144	2955.319413	2411.871572	1781.879416	3133.057692	2945.571835	2817.755842	1691.910945	2836.518051	2147.095429	2034.932144	2009.188316	1732.485284	1873.913158	2349.035053	2103.584335
1.36_186.9925m/z	186.9924914	1.355533333	pos													1514.452285	1150.930263	1058.296936	1249.539444	1152.6735	963.4991875	1021.658312	1347.640195	810.561072	1400.20223	1299.806168	1228.939025	1075.567739	873.3329202	1212.964739	1148.46621	1081.102392	1115.385209	1132.699482
1.36_190.5689m/z	190.5689223	1.355533333	pos													261.7120603	419.1920776	269.3874785	218.6021784	730.8875438	434.3214559	0.000297236	212.8260191	916.0544517	513.1554802	300.4088915	343.0421813	183.2429359	206.7090511	104.9592791	227.8487009	311.9444505	197.8780625	307.1213674
1.36_219.9669m/z	219.9669006	1.356866667	neg													1078.793892	883.4173683	922.7530499	518.3645843	1171.454818	564.5554352	857.7197926	1522.123989	1285.131725	726.6915539	685.8053556	1034.680003	872.6851146	991.0630636	748.1978265	664.9079795	822.5796188	613.6345097	696.8606286
1.36_222.0793m/z	222.0792802	1.355533333	pos													18508.17539	18674.64623	18020.91818	14309.19886	19858.7977	13992.76699	16169.11339	31070.1604	27886.03964	10750.36259	15169.72494	24904.79692	21284.33749	22222.8602	14955.96425	14956.23804	14961.31048	20424.91207	19924.8323
1.36_242.0463m/z	242.0463145	1.356866667	neg													850.3933214	674.3350782	769.1064728	320.4373602	1311.820342	362.7673851	490.6242029	790.681586	667.6771637	541.1068786	460.6518181	641.678756	916.8654836	1347.568006	791.5799482	651.2683487	899.5985794	432.5257106	663.6990469
1.36_287.0748m/z	287.0747953	1.356866667	neg													111.5608113	145.2119859	116.5828373	144.0571557	107.8393775	86.83733651	43.44548394	1894.986139	672.3322481	20.50283231	42.8074714	127.8367792	157.3256465	115.9158006	113.9257905	83.75623726	39.07716392	37.80815751	126.8976936
1.36_361.1311m/z	361.1311362	1.356866667	neg													418.3923991	411.2552006	426.8772278	487.1499351	161.1784861	493.1631501	407.2173309	1730.773936	1494.18414	625.0118189	369.6095392	452.6461893	169.3994342	196.1257624	78.37179269	140.1826944	213.6704504	323.4373694	89.56858097
1.36_383.9375m/z	383.9374775	1.356866667	neg													2104.753601	1884.750434	1826.250214	803.4108358	2087.567414	914.7058428	1317.403403	2118.499946	2049.255266	1038.524222	1645.217795	2075.515584	1767.444304	1889.745149	2175.720899	2012.105652	1861.045194	1487.155958	1759.329847
1.36_406.9271m/z	406.9270601	1.356866667	neg													3035.866355	2987.449636	3051.240782	1878.406574	2637.525508	1488.786126	2364.142297	4940.062445	4032.160035	1822.793187	2659.136229	2921.731534	2599.023888	2976.116031	2942.116875	2531.738773	2841.211775	2264.569724	2304.616507
1.36_442.9768m/z	442.976755	1.356866667	neg													6251.115755	6557.69096	6728.586999	3520.892633	6140.946112	3905.697064	5339.20745	10268.67485	9179.743249	4163.550273	6661.341126	7046.706606	5487.535361	6946.340459	6168.93743	5775.852205	6327.57803	4984.362193	5444.169018
1.36_474.9144m/z	474.9143571	1.356866667	neg													1725.141773	1525.215674	1420.963448	1170.305219	1501.019389	1200.640004	946.080084	2636.344699	2653.316454	854.4391775	1694.289408	2235.917356	1486.765886	1583.226604	1774.180419	1767.772629	1486.735256	1573.311116	1440.159758
1.36_510.9654m/z	510.965449	1.356866667	neg													2953.322608	3854.597917	2665.038499	1804.469824	2862.519528	2041.153276	2457.549207	6012.219686	6142.635104	2258.915164	3093.216509	3579.31948	2221.206672	3439.25848	2891.118018	2232.627186	2830.259728	2498.181243	2285.319515
1.36_615.9553m/z	615.9552501	1.356866667	neg													1350.572531	1530.968664	1854.747108	3539.523641	1846.569696	2485.014749	3283.832391	757.3533794	496.8892368	2136.587934	2419.554517	1272.372121	2373.510151	1842.21889	2277.740509	2414.067365	2142.374966	2390.10284	2448.435867
1.38_118.9428m/z	118.9427507	1.375966667	pos													3198.218758	2892.392173	3293.347406	3169.196571	3030.794304	3077.234302	3006.141222	3184.056974	2970.758817	3355.308155	3189.362241	3275.485333	3723.65666	3033.056553	3380.292048	3318.585115	2978.525519	3086.353911	3141.570571
1.38_133.0493m/z	133.0492522	1.37855	neg													801.7432858	743.9443579	1134.209777	860.0757084	745.4647143	1191.072166	831.695836	1119.744993	871.5292157	965.2157853	462.7386814	750.3652829	798.5435953	656.4569625	564.4644708	524.9869666	1137.374661	1031.261987	1030.909415
1.38_142.9590m/z	142.9590083	1.375966667	pos													111761.9617	109632.1618	111580.6048	111281.719	105675.7764	104520.8085	108242.1878	105220.6976	106248.0438	111669.1124	114030.4856	115799.4903	112561.2893	114248.5467	117026.3244	119992.0371	112353.8279	116151.6676	106766.0248
1.38_165.9593m/z	165.9593113	1.37855	neg													351.9589071	511.2024097	435.8558946	475.9558891	556.0579998	514.1671022	423.4105889	338.5073664	331.4463783	492.6123255	426.5727567	454.6705805	470.7695217	382.367247	575.0222811	445.7524933	466.8465202	562.0494872	503.1063463
1.38_188.1153m/z	188.1152857	1.375966667	pos													636.4920755	423.9498425	406.6068192	407.4775218	544.6318844	697.5929915	661.6112423	332.6670671	147.734633	646.2990328	259.3149567	519.5801464	383.5207271	524.4904959	381.9879615	672.2162511	574.7915255	342.7262666	487.4757036
1.38_203.0178m/z	203.0178067	1.37855	neg													1448.454819	1407.03521	1240.889306	1409.918389	1256.768021	1511.677801	1087.566671	986.5488123	1061.458478	1493.697031	1308.005599	1336.735156	1378.932774	1260.668875	1348.006576	1442.26207	991.4022365	1139.596059	1588.060273
1.38_222.9151m/z	222.9150863	1.37855	neg													2320.539162	2683.288133	2443.996205	2521.346326	2570.913512	2299.90962	2413.793935	2514.620222	2188.02457	2484.605169	2758.891969	2006.953354	2640.522024	2513.725206	2640.214791	2695.319165	2396.678895	2683.483302	2320.187427
1.38_228.1472n	229.1544433	1.375966667	pos													13822.91387	14900.55643	14235.34305	10868.83218	17755.85639	13399.68834	9880.943976	32711.60449	29026.45111	11758.40001	9632.577901	19773.94378	10768.35358	9454.472623	10935.05653	10876.72183	9636.787902	10187.35376	10248.6154
1.38_228.9024m/z	228.9023893	1.37855	neg													411.4735204	644.9120849	623.124649	884.4533754	671.7214549	775.2313495	691.6544222	402.1271118	634.1294967	780.6835341	806.1274797	633.6620098	597.6645941	438.9520774	868.3692846	910.3809173	641.0404964	632.2594505	649.0503828
1.38_240.9858m/z	240.9858067	1.37855	neg													111.1435017	135.8131055	180.2347846	159.828158	92.62050989	110.7796445	195.7600629	479.3182273	361.7635191	79.90617476	73.72841686	154.4225058	140.1834535	227.7356994	71.88145774	74.03701654	78.41317358	136.5459547	88.828181
1.38_242.1578m/z	242.1578052	1.375966667	pos													601.6371954	765.2118546	797.433113	301.7142648	1190.813169	624.7611775	406.6515838	1547.445047	415.6236355	281.2122794	217.3409356	1125.424773	524.5013017	326.0834878	310.9447778	644.5279168	680.2832863	515.7092654	355.6509024
1.38_251.0147m/z	251.0147153	1.37855	neg													4405.408846	3958.130343	4182.525125	2302.418129	3469.553455	1806.131669	2478.353641	21286.77631	6620.962313	2271.668427	2235.627876	4805.790062	3315.279767	3014.83423	2001.779114	2252.003836	2481.009874	3034.087531	3161.913213
1.38_265.0927m/z	265.0926975	1.37855	neg													276.9560879	264.6614588	283.1203738	38.67653271	116.24909	662.0038899	0.000297236	427.8963137	575.5531483	535.2202419	122.670799	164.5586969	132.7287575	217.9520924	91.61335167	77.33939887	100.0082182	78.14812655	185.9184155
1.38_287.8886m/z	287.8886142	1.375966667	pos													3908.656147	2947.336189	3702.810425	4520.768728	3443.63468	4414.191068	4510.541748	3267.260863	2835.333314	3942.275291	4364.35913	3552.651455	3750.517726	3297.223294	4401.672711	3711.679599	4463.596558	4512.400019	3581.616128
1.38_307.8912m/z	307.8912456	1.37855	neg													310.9118447	310.3180984	209.6285858	442.1007062	382.957823	437.0374969	423.7064883	380.6721784	357.6422766	541.7606138	477.60279	350.0912378	456.807401	238.7854441	408.3891948	452.979413	323.190549	210.7220302	314.0194829
1.38_328.9577m/z	328.9577451	1.37855	neg													328.514425	287.9438629	451.7478371	242.4089468	304.4683011	263.7430742	366.4420866	1072.926482	593.1671491	318.9825737	245.976611	367.594817	244.782004	485.6706461	324.9254483	289.6377431	205.1402965	192.7569095	342.0981619
1.38_428.1148m/z	428.1148316	1.37855	neg													1202.082298	1008.026917	1163.299187	769.1922028	630.9003369	1298.988745	1029.386042	2613.097436	2226.250198	952.3648757	530.4882838	920.2914078	682.8281999	747.6808242	648.8002575	630.5073994	799.9358344	697.5312184	713.9918872
1.40_107.9508m/z	107.9507561	1.396783333	pos													14444.912	14663.40251	14582.78121	14400.63632	13370.02634	13091.09983	14127.5709	13228.4578	13709.69962	14051.61176	14141.83069	15010.74006	15815.06566	15321.12011	15472.10187	16449.10082	15031.06274	15088.17592	13991.05206
1.40_114.9643m/z	114.9643303	1.396783333	pos													19966.99441	18084.91771	18753.25143	20038.28377	17707.66077	18657.18801	18896.76694	18421.40813	19807.70914	19678.11719	20293.7868	19711.26698	19513.27988	20063.5417	20725.71247	20321.2594	20201.5005	21237.99505	19439.38827
1.40_129.9543m/z	129.9542539	1.396783333	pos													392.9932742	293.0776903	235.7004641	432.7068649	326.9763472	228.8687593	120.2891085	74.60494006	226.2061959	367.4932355	431.0198053	392.2682316	438.2223442	404.231219	361.5609232	434.3439149	420.1006453	450.3657004	162.217999
1.40_135.9453m/z	135.9453341	1.396783333	pos													5719.992941	6163.936003	5617.188232	5308.518991	5092.582652	5355.852837	5284.925997	4736.767304	5155.830467	4678.291893	5298.169453	5848.062906	5832.064916	5575.93399	6039.054357	6386.349505	5380.996242	5551.459002	5304.507181
1.40_142.9666m/z	142.9665803	1.396783333	pos													12325.24374	11242.78487	12893.5896	13379.0843	12243.48964	12156.38363	12382.78781	11952.86093	12251.89425	12962.36838	12821.15816	12177.57409	12346.13472	13063.08155	13537.93898	13375.05737	12807.34337	12859.23409	12280.61531
1.40_154.9669m/z	154.9668749	1.396783333	pos													16796.03566	14014.31077	15736.48034	15026.58389	14383.76993	14696.25767	16387.47994	15680.40005	16124.26968	15629.43387	14999.55741	16021.82711	15519.56166	15526.27566	16760.40755	16037.46692	16840.64268	16480.93549	14822.37403
1.40_159.1379m/z	159.1379329	1.396783333	pos													11521.00736	10302.70818	11228.7952	11558.3021	11024.82899	11144.34041	11384.78156	10648.74449	10385.15946	10937.38184	11063.5621	9374.354332	9612.98937	9705.761625	11925.08965	11454.02785	11292.09992	10949.65937	9603.841797
1.40_169.9655m/z	169.9654582	1.396783333	pos													17523.73317	17434.91748	17283.20144	18922.37432	15878.62569	16543.49582	17411.0172	16268.10769	17198.82447	18185.40729	18370.29107	18975.51635	17581.90185	17665.1908	18536.8367	19963.67167	17951.10674	18567.58281	18387.21897
1.40_175.1187m/z	175.1186685	1.396783333	pos													1210.560062	1285.805265	962.9349744	1252.691611	1364.690513	1127.364807	974.2431198	911.1165624	891.0089677	977.7682481	1151.519435	1287.771443	1415.851673	1311.858361	1299.639997	1113.428589	1265.667876	1174.91279	1441.122181
1.40_196.8934m/z	196.8934214	1.3988	neg													24430.49704	21265.57173	22010.0981	22599.01827	22297.65801	21796.55131	23736.12671	20152.64401	19832.76449	22150.57442	22926.96964	21165.89095	22542.30043	22777.56721	22756.2097	23457.93435	22692.35364	23671.10009	21075.27949
1.40_202.9510m/z	202.95101	1.396783333	pos													150698.9922	164774.4193	151512.985	158948.3766	140608.012	143266.5675	149118.2485	144815.8736	152284.5988	150275.9898	156590.205	175609.0753	158935.0995	159598.1222	165803.82	167645.3174	163291.5841	169272.9239	154727.8855
1.40_208.1001m/z	208.1000821	1.396783333	pos													640.8464823	522.3811924	892.8760439	531.0971087	639.2428426	749.6585363	522.7429366	1110.92415	1017.198108	943.4686579	647.580622	851.2865978	894.4895145	602.8218973	921.8196536	648.7631984	699.778649	958.3964333	916.8770461
1.40_218.0487m/z	218.0486854	1.3988	neg													352.8074351	327.9268934	338.5229669	241.802553	159.6830193	327.9330585	168.4641108	1114.954269	545.1040865	215.4157792	157.8345827	495.3525074	156.0548316	192.2298309	235.2872343	183.9070847	193.94562	143.4490401	228.8795087
1.40_220.0637m/z	220.0637248	1.396783333	pos													714.0619415	1221.112619	877.7534073	508.7651226	299.4323414	749.12227	308.5515013	3890.524782	3801.387378	889.8440795	581.3784436	1933.542406	450.7528808	477.8678552	423.6228557	588.8863086	689.9940334	434.6875772	462.7212682
1.40_232.9440m/z	232.9439751	1.3988	neg													17158.54862	18437.9564	18145.93693	19153.25099	18179.73136	17356.76544	19193.23184	15854.44724	16548.48318	18233.88554	19289.04658	16751.89662	18332.47558	16969.30464	18102.49881	18844.52781	18022.43133	18997.47734	17446.26654
1.40_232.9862m/z	232.9861552	1.3988	neg													625.9744117	819.3629405	806.7905388	745.1079015	788.0905453	724.1637874	752.7881508	703.4717146	821.9318573	790.2258466	802.8771407	666.5317563	571.9206964	706.5733797	761.0226842	811.0235702	692.2820699	785.2167559	607.2900451
1.40_234.9563m/z	234.956348	1.396783333	pos													72410.8719	74287.95817	82386.76232	88995.47758	77262.88805	83452.35503	81710.39797	68282.12274	77705.95636	82022.4769	79245.57408	77944.57728	83114.84293	85047.37763	82347.65855	89578.96888	84949.7399	87250.3692	85393.16682
1.40_260.0771n	305.0785699	1.3988	neg													4946.547372	4519.994331	4898.576222	4421.651272	5260.425779	4686.948271	5436.562452	4483.867119	3369.814506	5330.10495	4272.718409	3962.604984	5049.32131	5051.507447	4523.162404	3983.068322	4889.850507	4283.832848	6120.677696
1.40_264.8815m/z	264.88151	1.3988	neg													16964.13158	15168.13379	15872.74575	17069.10083	15501.81093	15170.80765	16378.95604	13822.77649	13555.85237	15321.39839	16700.32853	15346.8978	16724.31946	16057.03674	16529.93143	17357.30597	16627.24974	17188.6682	15186.02283
1.40_389.9829m/z	389.9829193	1.3988	neg													668.0299017	651.0675243	570.4636304	655.1423744	755.6466862	680.5590869	1538.576914	452.3537498	523.6135124	617.3899245	1369.763922	142.8036462	1410.664285	1698.868374	344.9591047	678.0391077	608.4268569	326.3796282	597.5980419
1.40_440.9655m/z	440.9655363	1.396783333	pos													2955.730025	4623.619318	3661.678087	2771.927529	4445.966962	4571.594356	6597.533176	872.1377958	2609.698367	6653.543378	4745.596309	2039.972993	5984.127643	5187.033426	2728.441267	3860.475451	3995.585926	1836.140636	3314.042004
1.40_441.2161m/z	441.2160978	1.396783333	pos													3699.112197	3342.039954	4195.463835	2158.848414	4619.442404	4077.285184	5620.239381	2393.592979	2155.341357	5577.546243	4531.122839	278.7080401	4326.308268	4827.170268	3253.954531	3350.715824	3184.393542	2091.102203	2076.599562
1.40_493.2501m/z	493.2501463	1.396783333	pos													6271.453064	8699.489452	7746.592959	10802.73337	8648.586534	9429.045235	6526.993246	6059.963388	4701.660929	6062.383151	7331.042496	9709.364047	8327.77115	7913.291807	9172.388311	8121.157516	8574.280247	10142.27515	10774.69001
1.40_587.6179m/z	587.6178541	1.396783333	pos													1777.450238	1810.695094	2448.94737	1144.965745	2045.626576	1460.137433	3011.660801	372.6992755	710.0063662	3919.785359	0.000297236	0.000297236	2316.441925	1825.798101	1630.181544	1897.071407	1102.213782	967.5544939	1718.453957
1.40_587.9521m/z	587.9520904	1.396783333	pos													1848.412926	1208.983749	1613.849257	676.7626767	1349.565482	1455.624226	3183.436572	869.2478717	983.5206081	1787.367743	1682.661111	0.000297236	2321.700323	1861.876513	746.594629	427.1263015	396.725933	364.3639798	562.6689521
1.42_125.0342m/z	125.034226	1.420133333	neg													2747.477261	2746.21034	2767.167604	2733.1988	2157.49165	2337.418758	2424.901724	2256.418388	2916.316175	2070.963552	2389.426035	3420.652747	2736.45948	3373.412787	3155.04012	2763.296389	2636.593147	2797.154398	3716.572081
1.42_129.9515m/z	129.9515419	1.417983333	pos													354.2283189	498.430585	512.5634093	435.3665344	455.8220333	459.4352224	359.4235855	238.5331943	395.4546931	244.7424191	343.229289	523.412545	437.1476158	439.9078512	510.9747165	569.0835826	425.9944197	491.6012237	333.2289109
1.42_131.0448m/z	131.0447981	1.420133333	neg													285.6869562	296.2975334	241.9123731	216.1938135	366.8964704	386.1587891	317.8885315	241.6272703	56.84679236	338.5064603	343.0921833	170.4409379	350.6616614	332.8390122	268.1372647	240.828705	339.2623506	275.7891793	484.1011852
1.42_166.9601m/z	166.9601419	1.420133333	neg													661.6365593	685.7786808	569.1012628	620.4471736	636.2987558	520.9747047	520.316889	493.0686093	511.100567	518.4453524	632.4458093	532.1846874	524.2305625	575.9649023	649.8063934	614.9582818	510.9050121	618.5944187	596.9760188
1.42_175.0963m/z	175.0962936	1.417983333	pos													1638.470537	1845.821901	1527.841208	1287.813196	1686.40669	1853.441656	1294.450207	1896.977474	1984.91651	1680.637585	1280.662588	1681.619858	1874.993874	1628.225375	1782.260316	1419.795281	1612.488604	1448.117379	1298.439087
1.42_176.0375m/z	176.0375352	1.417983333	pos													43184.16429	45849.45046	43251.0607	57291.6703	27533.7384	36892.47091	31341.27962	68444.59196	52603.87323	32698.3053	29761.874	62179.53553	31194.19929	30892.69694	48992.04235	39960.91657	45655.21003	57198.59657	46886.09236
1.42_178.0332m/z	178.0332206	1.417983333	pos													1494.833849	1561.30638	1422.869237	1958.937518	757.5699762	1323.023019	944.5841037	2697.747457	1905.814804	973.8989128	833.1721749	2041.905792	1075.418709	1083.333623	1498.494829	1074.821922	1351.969283	1949.946464	1764.79105
1.42_183.9819m/z	183.9819173	1.417983333	pos													3677.895346	3409.216157	3273.407399	3265.481121	2944.649232	3085.763601	3176.009237	3371.235101	3410.472918	3842.31355	3421.750248	3327.914508	3616.658535	3385.677563	3527.79415	3484.495769	3180.534025	3214.078533	2869.183243
1.42_193.0222m/z	193.022151	1.420133333	neg													204.5319565	235.6185676	243.3221568	158.9493013	180.6739147	151.6620276	226.3009736	125.8292835	233.9996724	187.0261388	194.2515486	215.4415291	205.7890947	321.8632384	244.3618332	204.970423	210.6422847	238.7833911	271.046356
1.42_214.0034m/z	214.0034009	1.417983333	pos													4832.040756	7449.787285	5985.007909	6293.530948	6623.047956	5644.416691	5468.048197	5024.855778	4926.307713	5794.441579	6359.400664	6782.159347	5822.316831	5101.238501	5745.579911	5701.661667	5563.911506	5717.733108	5177.600815
1.42_231.9811m/z	231.9811292	1.420133333	neg													342.9911379	223.9746332	269.3277817	317.6221285	194.3569887	207.4320139	244.3025101	389.9846936	353.5359739	193.1817346	235.2775208	360.6652399	177.7776247	103.4501256	304.8895885	237.3552655	223.2201542	343.6908954	282.8688646
1.42_234.1335m/z	234.1334762	1.417983333	pos													11404.15375	10467.55215	10995.11015	11962.09654	9072.647262	11870.03363	10261.10638	15265.26012	14309.7871	9821.209754	9820.02913	11841.31145	10125.1113	9521.329617	9846.360582	10836.31628	9623.801283	10501.74958	9526.908743
1.42_243.0134m/z	243.013442	1.420133333	neg													235.3127107	230.2989019	214.9077854	343.8664975	147.1079973	210.9488745	115.4492068	371.1619007	284.0998428	237.7815723	113.7555422	280.9953854	167.5436103	67.33829438	264.8327741	220.3461927	265.2150203	260.0227943	263.9168514
1.42_260.1491m/z	260.1490951	1.417983333	pos													4282.226325	4374.240674	4296.346278	4024.044147	5205.298129	9510.309056	2766.086798	7645.068723	4768.705161	6915.536633	2879.111692	3348.218225	3910.337002	3495.644231	3978.61731	3400.366497	3850.762503	3149.598551	4134.45779
1.42_309.9980m/z	309.997985	1.420133333	neg													1942.52645	2075.567843	1914.822501	2361.86908	1379.595031	1671.728383	1449.711985	2707.616237	2485.096181	1678.682708	1291.183879	2178.314033	1281.736691	1064.172852	1938.797516	1890.921546	1745.009295	2546.60023	2201.504736
1.42_341.0125m/z	341.0124888	1.417983333	pos													1943.681735	2967.476546	2017.80098	2457.90929	2500.947223	1872.825404	3816.166773	1388.615913	1791.589812	2153.486537	4131.864396	979.8105319	6084.348313	6173.889318	1715.7853	2337.750278	3204.634011	978.5059419	1885.388039
1.42_377.9854m/z	377.985362	1.420133333	neg													1227.521615	1089.050822	1006.277931	1535.834031	702.4737732	1188.318042	757.2705038	1654.783565	1432.21641	750.5338703	924.2851576	1528.784857	575.2676613	727.3794643	1257.570966	851.2171676	1022.640445	1509.630253	1221.157405
1.42_385.7168m/z	385.7167971	1.417983333	pos													3017.417067	3231.729509	2578.354197	2669.854355	2333.675212	3721.861565	2818.270815	4831.873092	4289.933918	5304.818653	3039.964514	3097.661324	2435.146228	3222.491395	2865.12064	1887.616658	3110.567309	2135.95713	1579.988949
1.42_386.2182m/z	386.2182126	1.417983333	pos													759.9157394	1198.962976	942.3285118	906.3282858	725.730765	1027.553377	796.0227033	1422.054286	1453.854244	1637.847033	999.8350538	265.9155821	475.1721773	935.2134346	284.0106149	628.3913564	1226.745789	543.0062	292.5699342
1.42_420.1989m/z	420.1989144	1.420133333	neg													1565.651442	1202.032909	1655.447284	2260.950151	1565.798548	942.895168	1725.280139	1334.839997	816.641084	1000.688723	1450.72786	735.9590096	1144.521716	1133.807895	2300.157728	1877.770009	1862.525161	2119.109381	1459.12252
1.42_455.9281m/z	455.9281243	1.420133333	neg													282.1459223	190.3756971	237.531095	170.2137938	93.23296756	0.000297236	96.51254734	263.1110564	158.7936588	0.000297236	100.3829425	160.0389192	161.9216023	107.1109175	197.7697546	160.7968662	140.4019346	216.8252538	203.456862
1.42_590.5781m/z	590.5781218	1.417983333	pos													2051.215974	2253.288767	1563.714325	2157.507343	1224.435516	1840.356359	2946.880114	495.5241828	411.5064996	2343.912831	3017.07079	1320.992887	2115.956428	2756.954124	3522.557308	2110.131618	2684.24835	1995.416868	3225.933192
1.42_590.9122m/z	590.9122025	1.417983333	pos													1478.693096	1486.528547	1228.54425	1490.328052	1194.114591	1991.799752	2820.411831	529.8687641	0.000297236	2125.976809	1865.116006	0.000297236	1952.606137	3141.401417	2410.901001	1170.531019	2371.00178	1651.170314	2068.548884
1.44_147.1128m/z	147.1127887	1.438566667	pos													5684.771966	5603.521425	5474.917446	5940.73982	5829.790936	5923.813801	5579.654094	4166.373707	4030.036882	5527.507962	4809.792174	5649.092576	6442.485995	5884.342014	6861.711941	5989.570488	5674.568208	6145.592312	6462.274258
1.44_155.9743m/z	155.9743094	1.438566667	pos													3382.29781	3557.509976	3434.088604	3254.86866	3418.255981	3436.27963	3100.154284	3207.134841	3403.250938	3491.407645	3404.45817	3745.635863	3758.88826	3735.65675	3526.523068	3752.647756	3594.256961	3218.198279	3064.456999
1.44_157.9545n	158.96126	1.438566667	pos													745255.3463	781339.1832	763757.9388	783437.1627	712671.7106	737962.445	758490.8452	698139.9118	729295.2791	766075.233	763131.4412	788435.4558	797285.8396	799018.4741	841235.5941	836889.0589	797073.6079	835930.8038	761875.0842
1.44_184.8887m/z	184.8887226	1.44135	neg													4712.021953	4896.854594	4837.486103	4970.807068	4735.573094	4997.828197	4993.902186	4946.810685	4959.95863	4870.405767	5539.145392	4907.268456	4976.907758	4736.829739	4847.385645	5153.548491	4891.618684	4949.95708	4806.694084
1.44_319.0659m/z	319.0659344	1.44135	neg													1602.312128	1469.302061	1453.538115	1215.797349	1179.085507	907.6347455	1609.219976	2395.466113	3175.229975	1137.162658	1428.987138	2997.686914	1514.785111	1430.800913	1436.358332	1339.335748	1087.309332	1230.826552	1582.019709
1.46_125.9642m/z	125.9641963	1.457516667	pos													11775.67098	11115.56005	12018.78824	12479.96768	11313.89997	11093.20185	12294.18041	10822.99394	11901.60274	12636.42733	12036.40053	12145.51803	12279.70138	12048.25826	12678.87482	12991.64619	12312.16451	12629.56991	10832.85011
1.46_129.0660m/z	129.0659649	1.457516667	pos													4375.806675	4799.955311	4786.868647	4492.916381	4926.382804	5238.387597	5446.711271	3297.26114	4306.209142	5643.796531	4618.032833	3451.731376	4675.384316	5074.915387	5164.660272	4273.242252	5109.811657	4380.093615	5639.01853
1.46_148.9901m/z	148.9900865	1.4621	neg													445.847503	457.3104954	499.6366997	449.8185676	774.8172787	716.8917398	428.1752046	388.9111674	259.0554241	924.1867601	412.2963827	693.1267778	265.2903609	266.1537934	442.2891515	521.9832245	489.4865387	465.8443486	269.5303098
1.46_170.8697m/z	170.8696992	1.4621	neg													9861.474895	8623.980416	8615.239181	8821.509958	8707.393037	8720.88037	9739.991717	8221.009099	7643.58807	8411.72378	9311.109803	8554.724255	8971.364836	8760.049315	9368.376334	9264.932905	9057.795986	9008.945323	8263.627525
1.46_178.9032m/z	178.9032317	1.4621	neg													4117.310248	3530.176132	3592.036496	3590.420874	3620.485424	3823.798268	3853.937506	3162.708919	3250.974555	3590.408577	3637.041007	3521.068803	3812.411216	3569.565641	3810.057272	4025.904365	3729.252249	3826.80847	3624.796183
1.46_182.8956m/z	182.8955879	1.4621	neg													16566.05884	14627.04378	15227.75214	15431.48863	15344.22272	15536.79718	16057.7448	14804.21253	14554.31831	15815.77844	16187.17389	14865.16769	15449.71333	15264.09643	16070.3201	16679.57889	15509.47599	16019.92509	14692.88553
1.46_199.1328m/z	199.1327617	1.457516667	pos													2557.256801	2996.579706	2704.800211	2830.61284	2627.43816	3002.828353	2731.142056	3264.936484	3103.652158	3019.665522	2521.68204	2813.527783	2569.755985	2709.167866	2852.845441	2869.111532	2720.212973	2302.647267	2606.538484
1.46_199.9276m/z	199.9275564	1.457516667	pos													2637.811066	3158.915159	2574.253605	2894.077546	2632.295061	2588.419199	2639.796657	2734.934887	2607.691479	2827.863206	2644.931869	3043.647986	2603.207713	2777.806186	2859.034403	3066.09003	2939.924781	2800.302086	2611.101092
1.46_206.0480m/z	206.0480303	1.457516667	pos													2953.895703	3284.402594	3267.561839	3250.901269	2721.352242	2641.111351	2629.495905	5152.062854	5806.219968	2915.003788	2533.797596	5730.228221	2791.869493	2902.37849	3119.290735	2812.097221	3164.657538	2982.923671	3577.328739
1.46_215.0321m/z	215.0320641	1.4621	neg													213.7095375	294.4067409	298.7877853	261.8870883	230.2869154	235.4770504	303.0780029	421.5333978	241.3306884	346.7981524	246.0620904	541.2455537	189.5541949	119.6966011	216.5356215	241.3988761	350.6523509	187.8869227	230.6565069
1.46_234.0437m/z	234.0437085	1.4621	neg													2472.785469	2328.789071	2376.402519	1407.243945	3292.470095	2771.144124	3119.500419	887.4372801	1165.834586	5091.577406	2676.919792	815.0865147	3428.2417	3138.124076	2220.403562	2408.694856	2842.82697	1171.398237	1636.965276
1.46_273.9031m/z	273.9030791	1.4621	neg													2256.189754	2527.651992	2329.328713	2581.71524	2596.501925	2310.418836	2386.560169	2382.110693	2416.956414	2279.306791	2510.296657	2466.16299	2127.944062	2178.697853	2191.351656	2486.239697	2197.297841	2694.700708	2172.676271
1.46_300.9320m/z	300.9319518	1.4621	neg													25342.22097	27370.37819	26685.29949	28228.13254	26433.25585	25396.10207	27377.64021	25068.5121	24298.76558	26085.33342	27549.73934	23545.22802	26600.29482	26703.44406	28066.75862	28436.05626	26114.09161	28719.56479	25609.98877
1.46_302.0321m/z	302.0321113	1.4621	neg													1745.611	1444.366803	1771.016724	1173.218265	2062.0248	1801.203416	2105.077612	741.6702516	508.4882704	2744.213142	1585.718324	528.4323117	2180.231004	2336.527549	1773.424155	1803.753252	1829.35281	1006.309732	1391.263576
1.46_320.0883m/z	320.0882511	1.4621	neg													1416.339879	1435.006519	1433.091803	1539.324463	1161.804536	2176.504133	1212.929893	2552.917652	2402.837244	1640.561434	1213.493033	1071.737462	1388.909607	1183.849597	1156.634003	1323.077069	1187.017652	1309.644455	866.0191163
1.46_332.8691m/z	332.8690833	1.4621	neg													30578.38351	27957.21819	29422.52724	30407.13655	29262.77039	28580.78579	31782.96062	26235.11738	26072.32864	29370.70098	30803.97417	26623.45211	31259.29977	30087.63273	29883.8458	32355.24872	29890.02293	32875.94785	27997.27445
1.46_398.1044m/z	398.1044165	1.4621	neg													7510.742878	8327.364528	7726.014832	9191.361323	6714.828744	12541.81576	7528.202642	12241.54695	13216.84064	8689.118469	7301.364996	5677.265167	7072.134092	5679.402433	6629.071625	7478.654769	7099.985723	8198.083291	5341.62537
1.46_400.8574m/z	400.8573876	1.4621	neg													32831.74882	31740.73511	31362.5699	32883.83275	31287.07266	31398.1035	35018.25243	28715.8124	30153.41078	31166.2442	34345.46726	29266.04779	32638.96471	33234.62882	33978.32961	34659.05996	32732.58507	35118.1769	30097.62278
1.46_430.0416m/z	430.0416368	1.4621	neg													1379.073515	1236.091619	1036.737621	1320.758392	1090.78773	1691.723944	1329.43918	1977.037161	2317.635201	1436.294713	1262.743953	939.4774606	1091.683924	998.380083	886.6201076	1093.892921	1134.459432	1100.351371	823.4506013
1.46_454.8472m/z	454.8471671	1.4621	neg													1693.992975	2032.372672	1546.870987	1837.206173	1619.657646	1677.788626	2019.123222	1489.305284	1752.531504	1858.636666	2248.911834	1656.558837	1908.774065	1768.768058	1982.807991	2373.339389	2086.5497	2195.730556	1825.209778
1.46_466.0918m/z	466.0917509	1.4621	neg													2881.104483	3159.856484	3407.897225	3656.459293	2545.663544	4974.534649	3370.06944	5107.640061	5471.600271	3408.722468	2758.58892	2147.395594	2422.553139	2828.851437	2330.983595	2595.090367	3105.966812	2899.800731	2258.154954
1.46_535.8241m/z	535.8241481	1.4621	neg													485.9760765	476.4238444	578.4025391	566.0940994	715.4646608	377.907125	920.6816013	545.6000947	571.5235252	866.0313134	952.9770059	528.7775419	546.0645097	707.739476	767.39584	803.4563485	898.5947668	744.5704026	780.964169
1.48_116.0160m/z	116.0160014	1.48375	neg													183.5402129	195.3900409	187.7133427	154.8734918	195.4150102	178.2683769	193.0891534	300.420345	255.2043191	135.1119401	188.3065648	136.2290718	142.8117829	134.1564881	139.3685825	122.9055408	185.1313643	124.2136517	189.2206344
1.48_125.9611m/z	125.9611495	1.4757	pos													12836.12412	14837.49223	13670.76307	13092.0818	12574.38544	12274.64412	12723.06243	13239.53079	12559.76461	13019.26444	12947.07016	14895.30866	15665.62374	15305.15364	15340.45827	15503.93988	13792.50009	14363.61561	12836.028
1.48_131.9698m/z	131.9698418	1.4757	pos													6719.87226	7190.513147	6511.685709	6731.190707	6200.152386	6308.365757	6480.993333	6526.22715	6918.133436	7401.705165	6762.2287	7513.514438	7208.378889	7377.161374	7929.678655	7961.453222	7215.056972	7449.352558	6833.512707
1.48_136.9084m/z	136.9084452	1.48375	neg													9216.947504	7839.620315	8111.253284	8237.62268	8526.797028	8153.863886	8839.738894	7911.887567	7493.503212	8295.198368	8663.385446	7870.206058	8317.87165	8561.187531	8273.044914	8740.200392	8512.499546	8935.640358	8132.138385
1.48_145.0606m/z	145.0605641	1.48375	neg													327.567238	334.1066943	362.7307267	297.2927466	452.1793303	385.8179413	334.4923448	341.1135393	326.3329268	363.4214603	311.3185746	276.7749796	344.8427845	350.1256299	387.3597104	396.166364	349.3715937	331.1603053	371.6357026
1.48_146.9613m/z	146.9612864	1.4757	pos													7664.720054	8864.886368	8154.547477	8622.774841	7997.981196	7851.244608	8059.455919	7935.755427	7731.594739	8391.4958	8035.528465	9468.88473	8801.44881	8238.997295	9084.46023	9194.713914	8579.361826	8621.032159	8335.314494
1.48_147.9698n	130.9664663	1.4757	pos													686024.4299	725471.1914	697321.1644	712207.0529	667889.9909	664732.0146	689774.7684	642105.2889	678557.1525	707503.2221	722811.3784	732517.9785	741390.2971	736309.4458	779643.2926	784724.3483	754701.4094	762285.1699	684123.1791
1.48_160.0062m/z	160.0061736	1.48375	neg													2080.954781	2254.850393	2292.535608	1856.748872	2205.565386	2197.909799	2398.584053	3279.840452	2983.667261	2047.586679	2415.697093	1613.126122	1855.492555	1560.593785	1947.620084	1451.34261	2239.211768	1541.48933	2230.379092
1.48_162.8379m/z	162.8378538	1.48375	neg													1527.635302	1364.136287	1380.628365	1443.432453	1265.169958	1255.935268	1541.175067	1331.820081	1169.433805	1231.727321	1426.154736	1219.872534	1429.357964	1297.678468	1515.811032	1325.137683	1455.515877	1469.842507	1389.656006
1.48_174.1369n	175.1441335	1.4757	pos													3940.002757	4264.170882	4024.526385	4767.352518	3795.796268	3508.714384	3504.447413	1520.902923	2219.707698	4423.114367	3991.321585	3936.613722	5329.71238	5726.365699	5063.173343	5256.399235	4491.953706	4195.170587	5231.175352
1.48_178.9707m/z	178.9706692	1.4757	pos													4797.327568	4566.320933	4981.277405	5351.96585	4226.526749	4152.030016	4424.7733	5066.630327	4813.019837	4520.366376	4557.367638	5405.322286	4798.533013	5164.099175	5035.145816	5139.254994	4612.936367	5367.563215	4675.803974
1.48_185.9884m/z	185.988424	1.4757	pos													2166.964623	2088.541201	1631.946362	1860.740158	1968.618664	1761.921979	1894.173116	1902.360732	2039.890339	2124.485835	1821.497966	1876.332674	1906.416718	1997.034057	2450.069551	2424.469848	2100.943697	1780.520794	1737.062496
1.48_187.1078m/z	187.1077927	1.48375	neg													1977.730364	2009.207151	2088.430807	1047.023515	3480.385674	1207.870826	3444.282473	362.5334014	438.3178578	2829.410863	1710.211589	366.6166588	2988.916803	3142.412104	3201.888078	2665.136729	2884.160439	1108.838616	2880.267939
1.48_187.8600m/z	187.8599796	1.48375	neg													2318.218924	1963.286685	2064.251377	2233.247665	2063.711274	2035.289894	2454.01906	1999.448094	2036.08412	1961.00118	2247.26642	1962.657369	2119.938599	2019.232058	2140.646635	2128.583425	2250.631563	2117.723661	1951.393202
1.48_188.9784m/z	188.9784136	1.4757	pos													9819.34662	12173.98666	10049.11578	10767.02171	10128.914	10005.02314	10444.75608	9661.742205	9851.3479	10385.88303	10582.72158	11609.58907	12086.35033	11420.67018	11556.40889	10979.67927	10728.44252	10898.55809	10378.91269
1.48_199.8985m/z	199.8985118	1.48375	neg													5367.668706	5205.046289	5143.452229	5436.966089	5276.001329	5139.0177	5658.160204	4736.292502	4709.491239	5341.214235	5482.06562	4560.76472	5113.583085	5172.418491	5294.449508	5435.540008	5342.662791	5637.329505	4648.065515
1.48_205.9147m/z	205.914737	1.48375	neg													19487.62932	22075.25126	20584.10365	21554.56746	20796.4801	21059.4458	22071.18533	21980.95188	21331.78346	21512.84263	22987.75866	20533.7207	19350.70372	19750.29187	20536.12189	21732.34833	19848.45176	21565.39605	19454.18464
1.48_205.9355m/z	205.9354732	1.48375	neg													4226.986439	4648.159699	4087.778733	5072.315579	4648.665542	4586.741738	4825.035799	3838.230149	4380.004963	5047.956434	4929.092307	4191.139555	4296.530202	4478.760775	4578.115341	4784.315727	4106.215377	4481.878733	4022.131259
1.48_212.0532m/z	212.0532454	1.48375	neg													722.9537549	811.5547726	808.9086437	526.4301228	806.0278098	493.2358172	612.4293549	2638.642498	2691.143748	607.6534978	572.6856761	1582.700368	451.967149	407.8556808	293.28393	303.709581	330.9343833	409.5488238	464.5303274
1.48_227.9943m/z	227.9942886	1.48375	neg													1098.886813	1150.148055	1219.169845	1070.875428	1245.177594	1119.530619	1402.579047	1569.480914	1504.55408	1080.707517	1196.456581	798.5706815	1028.775028	813.5742625	1184.593213	848.2474832	1166.655141	956.0905929	1237.357807
1.48_244.8880m/z	244.8880066	1.48375	neg													777.4449855	750.955622	668.3979166	665.7014539	809.6587495	694.9097632	821.7800958	577.525299	457.2226364	409.9652348	864.0070391	590.0085967	501.4222064	713.3828223	771.8198991	685.5462985	718.4708768	632.9155193	739.3967457
1.48_255.0961m/z	255.096063	1.48375	neg													990.414105	1133.684621	1083.470248	454.4739079	1899.17936	602.1784225	1881.868129	283.6088359	770.7598348	1642.914369	927.4596195	641.0254262	1668.305747	1853.674349	1714.924502	1490.704318	1600.586053	590.0241293	1528.514724
1.48_263.1367n	264.1439353	1.4757	pos													337415.7719	360279.098	341930.5796	377513.0928	261166.0523	488529.3381	284200.302	533881.6014	564858.9293	367131.7144	283552.9821	278031.0082	296117.8158	293196.9803	308021.2075	312983.9572	308692.3965	340847.3901	259224.2847
1.48_270.0850n	271.0923044	1.4757	pos													7354.487733	8285.176771	7026.150315	9907.430309	4506.535112	3186.568972	9316.271297	7718.165525	6955.891449	4718.71001	8073.289135	13039.85583	7664.286641	7054.438347	7640.237674	5848.237663	7179.040144	5665.652387	7936.773489
1.48_276.8965m/z	276.896481	1.4757	pos													80694.91124	78157.73273	80352.22154	86703.63662	76435.68778	82054.51336	80849.11896	70320.55309	72707.89029	82157.27345	84464.02365	78867.82956	82174.88158	84765.19772	92252.28433	90034.43051	87001.52709	91025.55434	78260.00237
1.48_304.8930m/z	304.8929711	1.4757	pos													6351.113748	6834.529103	6311.177917	7170.458023	6333.826392	6978.489455	6854.067586	6206.412341	5891.435784	6626.84278	6709.804703	6540.226339	6012.60208	7115.702005	7928.528623	7260.888708	6948.513637	7796.297486	6056.87665
1.48_307.8560m/z	307.8559639	1.48375	neg													32919.34947	29266.09908	29640.1985	29462.83613	28767.23894	28339.96807	31461.73304	28074.95292	27697.7519	30052.21153	31069.04956	28354.29643	29624.82877	30348.91117	30079.87691	31843.82589	30421.10306	32200.51977	28647.9631
1.48_362.1571m/z	362.1571415	1.48375	neg													548.5153474	455.9852671	450.4089355	103.0755505	462.6758163	450.3450351	357.8640612	1362.130833	1078.226976	485.7315926	436.5382355	1379.269768	301.4194732	315.2995227	217.5069981	258.1227717	233.0881893	198.1858452	301.6212933
1.48_426.5605m/z	426.5604722	1.48375	neg													384.5973826	655.5944493	703.681591	687.1846413	544.2925222	661.6333286	1480.736498	74.84061891	94.97779838	481.285908	860.5907413	74.04702561	934.9297525	864.3788913	641.9580198	457.3960057	709.9092121	574.6580207	1289.856984
1.48_458.8901m/z	458.8900942	1.48375	neg													9863.697149	11273.58391	11433.65515	11411.2296	11586.8957	10630.8001	11420.69059	10327.48624	10446.99357	11920.38681	12581.37335	9649.790123	11203.06102	11563.40043	11487.71221	12312.35437	11567.44846	13045.36731	10705.69823
1.48_468.8445m/z	468.8445403	1.48375	neg													22674.91985	22375.66641	21097.4685	21794.38961	19823.14983	20795.59012	22550.71277	18651.91288	18046.9127	20736.02936	22136.05247	18359.51352	22425.82428	21872.20224	22283.92254	23469.22639	22341.47625	22204.36731	19932.37517
1.49_102.0134m/z	102.0133879	1.494983333	pos													10588.42803	9632.164611	10743.6042	11046.90843	10601.5679	9999.411852	10618.65437	10336.95071	10963.74998	11167.09198	11740.05312	10891.23717	10807.24111	10644.06487	11909.29868	11384.56888	10637.34598	10915.72965	10352.16297
1.49_114.5252m/z	114.5252142	1.494983333	pos													2314.308139	2072.07944	2325.38408	2569.232288	2303.827659	2371.87904	2505.665931	2594.4691	2537.276933	2521.363636	2602.305036	2178.096975	2520.776198	2300.759158	2569.251932	2394.827335	2501.291066	2581.99433	2185.766654
1.49_145.9542m/z	145.9542339	1.494983333	pos													862.5309696	858.2312109	821.1934	854.5881995	807.8267511	826.3903276	902.6067481	846.5749277	869.0120973	938.069574	785.0978732	818.3469745	904.731132	871.8345985	986.4153602	936.3199872	785.7461511	876.6167806	833.0294739
1.49_174.9765m/z	174.9764565	1.494983333	pos													3373.086864	3763.102321	3726.510437	2954.9786	2946.733829	3185.357787	3047.552453	3192.773959	2936.636594	3688.862898	3286.240573	3986.856772	3858.472887	3514.944308	3804.934525	3604.107572	3930.144397	3713.947206	3509.185337
1.49_176.9718m/z	176.9718439	1.494983333	pos													24120.72288	27814.31003	25341.95994	26798.22727	22923.55971	26023.88457	25699.35875	23235.40187	21742.05529	25495.10581	26024.51862	27535.78823	27035.22252	26928.00656	29953.02078	28364.22416	26517.74877	29235.40741	24868.09667
1.49_236.9067m/z	236.9067441	1.494983333	pos													2569.777401	3036.639728	3062.862017	2883.755189	2688.671105	3053.09368	2830.658899	2914.740074	2949.186883	3413.267107	2978.362518	2866.823898	3387.364076	3128.931905	3660.080865	3151.128157	3538.44769	3250.190007	2606.747071
1.49_240.0357m/z	240.0357339	1.494983333	pos													795.4273641	817.4247551	896.1700363	2707.076308	374.304944	704.1681089	937.3672135	0.000297236	0.000297236	725.0524809	1034.226859	667.8042949	915.6436732	594.9808336	1461.033336	858.7744695	850.7840244	831.340802	833.6963339
1.49_287.8885m/z	287.8884833	1.494983333	pos													3656.553613	3987.58565	4333.57687	4689.415437	4541.037356	4781.959518	3850.843893	3954.339427	4229.057543	4459.576866	4591.4603	3938.363231	4571.989704	4447.596012	5000.592643	4663.864196	4457.99216	4375.249168	4086.483381
1.49_309.2034m/z	309.2033863	1.494983333	pos													6963.74503	7230.148774	6700.634481	6325.507029	6361.313476	6880.03177	7641.005052	6785.450563	6821.7758	6773.205399	7123.121372	7384.685614	6601.709848	6570.087516	7388.632234	7453.469724	6802.953386	7211.247606	6090.359198
1.51_102.9473m/z	102.9472925	1.5054	neg													4864.624145	4650.73032	4763.751879	4558.629811	4686.057892	4672.374439	4968.470252	4634.597173	4612.076879	4798.203988	5044.869052	4344.068979	4608.635826	4653.765386	4549.508809	4918.20747	4847.141633	4868.152339	4458.178344
1.51_104.9265m/z	104.9264789	1.5054	neg													416.0843908	424.6304074	428.9209675	480.6531418	484.2637858	477.2647557	492.3878549	438.5557686	416.8181985	417.5273753	489.0676237	400.7642474	428.8909964	447.4122602	439.9577278	436.9111662	455.7203982	451.9038497	427.5930756
1.51_150.9816m/z	150.9815728	1.5054	neg													1917.295012	1763.543604	1855.240044	1905.400103	1888.88849	1823.30953	2192.539301	1907.418825	1759.263195	1781.012247	1891.10196	1784.047263	1885.996242	1889.890681	1898.910737	2035.688684	1844.329644	2042.877629	1894.483673
1.51_168.0292m/z	168.0292299	1.5054	neg													1111.310498	943.7682921	1118.977131	1038.307505	987.8892187	1034.640151	998.0300709	1026.317	1000.796971	971.2452779	1146.659746	1188.928273	1046.695794	1137.757927	1055.156755	1115.348478	1099.692332	1150.903877	1126.139516
1.51_183.0401m/z	183.0400883	1.5054	neg													59.4164596	64.25850179	43.99624061	30.6702183	54.02056612	55.2456434	95.86690813	97.08125943	83.84914426	27.76159015	43.11173421	71.8681336	69.26855287	74.25633977	28.96961209	28.39050559	72.74745023	0.000297236	46.54072694
1.51_194.0483m/z	194.0483239	1.5054	neg													751.144661	784.6387087	842.0709665	746.5633598	905.6834899	1239.932473	680.1151181	858.5282598	704.2855058	1329.249298	601.7763716	712.3221516	941.6808932	736.1351941	664.7206733	636.6058252	623.4860455	714.6943583	680.3042742
1.51_195.1231m/z	195.1231065	1.513233333	pos													2089.89398	2255.475127	2062.198515	2437.195013	2257.319812	2131.79521	2100.697789	1287.773574	1557.684972	2740.603924	1886.176669	1464.398036	2871.112037	2347.003894	3275.788916	2721.622976	2741.686687	2429.52229	2666.749442
1.51_215.6421m/z	215.6420848	1.513233333	pos													1267.825902	983.1428022	1340.769461	863.1236958	1900.56739	1376.868435	1849.250254	699.0143116	359.7559836	1723.963843	927.3978923	230.9416396	1363.620275	1258.063656	1157.790093	860.6376326	1241.429197	678.8207402	1162.531007
1.51_244.9849m/z	244.9849051	1.5054	neg													979.6450166	1021.046359	917.7255688	694.3063221	852.6277207	811.0703839	984.9603255	1225.195221	961.6143092	960.1536083	934.3401684	805.2192422	805.7883932	677.8999869	870.5948701	721.4724913	823.6311423	695.3956838	941.9961312
1.51_247.0392m/z	247.0391939	1.5054	neg													1122.306926	1149.70456	1207.057989	873.2404966	1118.713147	1333.053369	1773.783845	1972.738796	1928.542579	995.166705	733.9427403	1185.122829	1483.354988	992.2232018	914.1900862	748.2623831	1088.300908	495.0474865	774.2278822
1.51_264.8725m/z	264.8725282	1.5054	neg													9385.528283	8646.532369	8838.717709	8824.800523	8432.471581	8280.387436	10123.42633	9175.846806	9136.935888	9022.992461	10186.37263	8230.272228	8720.455834	8954.996535	9620.767776	9369.97927	9374.038879	8862.79992	7860.065872
1.51_267.1565m/z	267.15645	1.513233333	pos													29984.77803	26171.2219	27257.7686	26450.7937	26190.91753	25516.82278	27157.03888	25320.78959	26631.97517	26875.03025	28056.13455	26358.55652	25648.24475	24851.40975	27311.79091	26663.769	25683.53221	27378.36888	26008.23689
1.51_294.1748m/z	294.1747577	1.513233333	pos													2138.982276	2238.098907	2313.616378	3015.291894	2468.474993	2345.210745	1934.163618	1213.918854	792.1266981	2369.857964	2990.002726	2605.211919	1688.096123	1950.599499	3199.895477	3614.890089	1968.328818	3541.878078	2744.612068
1.51_302.1357m/z	302.1357245	1.5054	neg													1173.812512	1227.094823	1037.063217	874.3089579	1666.328229	1322.790422	1505.01503	731.1441316	563.7878974	1371.344799	1105.083451	446.3003908	1257.131095	1387.07965	1424.212768	992.1346334	1214.216563	851.3589664	1546.371693
1.51_341.8901m/z	341.8900565	1.5054	neg													2941.56232	3044.079362	3201.799257	3168.004088	3084.961175	2920.450411	3601.726991	3027.028573	3015.309859	2836.168248	3705.049986	2875.443892	2864.495244	3039.503493	2883.320968	3013.678245	3071.266032	3141.873913	2942.640819
1.51_344.1462m/z	344.1461685	1.5054	neg													281.5049582	407.8085422	369.098896	321.4697591	292.1892391	453.3636817	658.6930012	0.000297236	0.000297236	411.6520413	511.8736192	232.6971907	488.5933637	476.4653645	441.1186033	446.7981605	500.6369367	363.0309734	500.5406606
1.51_392.8460m/z	392.8460465	1.5054	neg													9991.241981	8814.657724	8553.867126	8967.007283	8624.832266	8626.428429	9639.111047	8783.267174	8827.743899	9563.772425	9206.357998	8360.921745	9951.05397	9481.758322	9057.548563	9793.454129	9123.79161	9859.446007	8454.509938
1.51_402.0692m/z	402.0692375	1.5054	neg													1577.927896	1583.950288	1736.522501	1943.637766	2593.588203	2275.680303	2543.585901	923.7493471	907.9268187	2562.850846	2017.26754	506.4962503	2256.300983	1456.956611	1741.698052	1458.629978	986.6730359	1048.056431	1283.94444
1.53_105.9343m/z	105.934317	1.526883333	neg													1188.51744	1123.895198	1153.690245	1242.26294	1150.034363	1146.502577	1262.143938	1230.10833	1214.23197	1219.695452	1213.83843	1125.761063	1163.331801	1102.256297	1162.558736	1166.93596	1202.332562	1209.375142	1161.837551
1.53_124.0393m/z	124.0393217	1.533166667	pos													9431.20721	8916.481125	8664.006061	8658.575451	8300.310568	8442.343235	8848.752081	8749.467756	8589.319328	8759.106885	9407.120118	10195.74889	9335.126385	9393.829398	9344.832572	8874.585567	8420.441654	8075.135433	7594.437852
1.53_175.1188m/z	175.1187555	1.533166667	pos													1434.830412	1163.834409	1241.171582	1380.019848	1395.21337	1121.862612	1160.68632	1072.728811	964.1774497	1115.054814	983.8455839	1198.253289	1362.159682	1395.379655	1328.582107	1292.05466	1390.81733	1330.879856	1615.30871
1.53_189.0199m/z	189.0198691	1.526883333	neg													381.2606099	421.5568671	525.9459718	544.5370133	295.816479	471.5088306	325.7852369	710.6675502	845.7107809	379.4777434	301.1374407	882.6659174	243.2185891	219.7248164	337.0664416	310.1606105	365.8933846	401.7774527	368.5261196
1.53_190.0033m/z	190.0033431	1.533166667	pos													3994.612027	4123.033795	3768.401344	3441.880284	3498.913351	3703.210837	3657.252252	3543.976144	3584.741712	3199.264805	3367.157764	4429.403344	4149.610757	4576.275054	4319.403555	3878.206082	3602.931528	4076.293125	3012.291601
1.53_214.0406m/z	214.0406145	1.526883333	neg													63.01105979	85.8850554	73.61162186	90.94226675	0.000297236	91.53152123	0.000297236	137.0110609	200.1159738	0.000297236	0.000297236	244.3617872	0.000297236	64.50470756	56.00187578	67.9215004	72.03194083	85.32786623	125.3532613
1.53_243.9775m/z	243.9775154	1.533166667	pos													34595.90552	37681.76718	35820.20933	36996.02681	32159.9523	33008.52334	33803.80959	33617.1604	35235.4811	33062.75076	34614.83873	40991.76645	37815.85555	37872.11689	39773.81981	38177.10097	36179.57564	37894.58604	35037.1416
1.53_245.1140m/z	245.1139814	1.526883333	neg													617.4047332	683.4308738	793.270395	544.6997937	967.3108003	793.7514675	730.9444358	288.1635013	338.5684434	979.7502682	661.8527092	228.1972023	864.830884	902.709882	800.0978277	731.4510975	758.7481157	527.6308394	712.4822913
1.53_247.1287m/z	247.1286698	1.533166667	pos													4839.924384	4291.965771	4568.459126	3305.549565	6380.612395	4681.011649	5255.224142	2064.980345	2410.094688	6280.490341	3867.683286	1677.036837	5154.839143	6068.305186	6011.948026	5322.779248	5560.971818	4067.457186	5439.859417
1.53_330.1157m/z	330.1156827	1.533166667	pos													1999.912677	2495.498548	2635.02606	2383.058	1321.317322	7535.770324	974.0621978	4041.794874	7631.460914	2270.223872	1386.020457	1827.649102	1546.862955	1098.623521	847.8227612	1497.725693	639.7434496	665.7903305	164.8260621
1.53_349.0131m/z	349.013147	1.526883333	neg													621.6405622	641.7637179	669.2863129	646.5084242	265.4173554	1042.388141	204.1335854	1247.528586	1026.677462	384.5349363	347.6419211	1143.125422	661.7444801	611.7325565	650.651278	537.4831621	859.4008708	939.6583326	818.9427064
1.53_572.1147m/z	572.1147142	1.526883333	neg													925.2088017	913.4089769	951.8206787	1777.558874	1196.027301	1477.995614	2803.2215	312.9518363	281.7051223	1893.075243	1251.293808	15.49563885	1071.192418	1380.423574	1227.221387	973.8225622	1177.425477	981.3541568	1794.020886
1.55_121.9425m/z	121.9425354	1.548516667	neg													473.0073468	552.453226	555.2801031	520.7937664	517.5715827	497.8773141	608.1267845	543.6329489	483.4220963	491.4821518	597.895534	457.3707071	481.0122095	518.8590739	506.5851709	532.0340077	503.6414432	522.476396	515.9791077
1.55_126.8796m/z	126.8795795	1.548516667	neg													1088.275401	830.5872754	889.1824231	853.5738783	847.1672354	867.5285098	1025.821925	1008.406347	796.976822	849.0435822	972.1770599	819.1171374	1003.236623	956.1455726	973.0915524	1005.38557	995.9042816	1041.547049	890.394603
1.55_142.0496m/z	142.0496272	1.548516667	neg													1200.662383	1229.214866	1116.460748	1532.004773	984.9874107	1555.34033	1397.953584	1100.077944	893.9547981	1487.602966	1409.301179	1150.572523	1372.379589	1445.095026	1265.939386	1006.243139	1331.395102	1306.032637	1347.68472
1.55_163.9276m/z	163.9275632	1.548516667	neg													4157.636073	3727.850782	3858.000988	3874.286932	3998.274302	3935.982046	3900.665181	3536.200153	3732.976648	3823.440625	4054.438012	3502.444065	4059.122157	3893.165268	3938.057145	4066.399104	3870.438598	3792.447347	3703.43599
1.55_174.0760m/z	174.0760417	1.548516667	neg													671.5227468	710.2777214	681.7318053	749.9564143	784.1557117	527.6619861	762.2585704	1462.982159	1169.327848	490.7223034	490.892411	724.465374	565.5975233	597.3375591	321.4048707	355.2758786	775.9254609	611.6946972	477.8357955
1.55_175.0963m/z	175.0962667	1.554083333	pos													1356.082652	1420.963823	1326.354182	1289.627477	1511.304985	1320.930919	1411.676147	1841.172882	1947.053852	1336.539843	1482.959724	1729.071478	1569.332303	1583.282299	1589.446271	1348.037703	1432.361184	1357.332756	989.8141163
1.55_177.1273m/z	177.127261	1.554083333	pos													4108.858217	4010.168906	4035.740941	3734.267741	3905.148317	4010.168201	4621.257669	4025.286389	4483.709209	4324.834942	4063.710417	3834.718697	4224.439968	4098.3452	4624.040321	4019.24112	3894.480475	3902.388723	3577.57491
1.55_198.0736m/z	198.0735526	1.554083333	pos													637.1858514	632.6637786	520.825989	408.8715701	863.1429946	495.4415322	581.2582739	1144.358337	1099.546235	787.1928852	500.1905122	972.5029037	470.1625595	524.3401226	463.1400834	379.8440498	517.9311886	447.1751094	425.0666353
1.55_200.0556m/z	200.0555632	1.548516667	neg													803.0493598	737.5451959	961.4486423	786.9094739	1101.217963	800.9107311	599.0426915	1072.788109	919.8204764	705.459132	661.930853	1295.601039	776.6653974	804.7467334	738.5597921	629.3848032	740.5027724	794.8138921	1045.198625
1.55_203.1277m/z	203.1277033	1.554083333	pos													7890.911661	7651.938247	7917.742502	7563.888053	7009.281899	7719.538043	6937.57906	8201.826308	8013.696168	7115.406795	7735.655627	8012.542874	7440.879335	6951.757334	7770.68406	7633.045628	7372.549975	7422.319013	6853.118157
1.55_210.0375m/z	210.037516	1.548516667	neg													965.4025137	815.6745114	935.4337254	1031.879571	796.1803793	1187.749861	871.2733592	988.5996877	854.2248271	993.3475827	838.7438183	997.6559767	992.8096675	932.031441	1068.639187	719.2707204	915.7905121	898.4417582	917.2937001
1.55_218.0484m/z	218.0484375	1.548516667	neg													170.4420144	144.8537909	203.9826043	99.9142793	74.91880541	286.1525815	77.60821024	282.2706169	586.6351118	183.8753212	115.5752333	328.6325335	126.106387	118.5507408	178.2272376	100.8528652	117.2126635	66.52417338	117.8686529
1.55_242.0642m/z	242.0642315	1.548516667	neg													486.2853066	407.7718509	441.0143819	518.4765095	470.5509168	340.7770924	423.7980884	703.2640694	858.9314093	168.7947328	395.3841338	504.3690827	371.8892634	469.8730955	147.3003925	245.0837055	376.4178882	395.0204111	413.1588903
1.55_271.9241m/z	271.9240975	1.548516667	neg													847.0809423	995.6562226	907.4887984	1017.653084	810.201133	747.2174233	566.953791	920.2094434	1142.805123	811.6977367	717.0776085	1177.566147	811.4121672	888.4928598	580.9788678	824.7272767	726.3012323	894.5907204	687.8509071
1.55_308.8641m/z	308.8641015	1.548516667	neg													22477.947	18288.53912	19197.51905	19794.46515	18790.60187	19460.94781	20752.56952	17966.45044	18992.89091	19856.07174	19735.82984	19018.5905	20261.19161	20476.94301	20295.17448	21426.53624	20663.04029	20784.81345	18998.29393
1.55_374.1436m/z	374.1436019	1.548516667	neg													3070.638586	3012.317287	3113.670229	3520.365467	2520.867655	2846.577133	4601.322294	5187.869745	4736.653277	3002.248537	4030.044423	2718.025639	1882.600817	2934.762405	2269.618558	2449.258279	2413.169266	1989.052829	2350.772311
1.55_442.1307m/z	442.1306868	1.548516667	neg													1394.447886	1208.786432	1067.872402	1590.699556	1146.824563	1344.535943	2419.637922	2429.044957	2509.561591	1228.072963	1762.668775	1231.935431	929.9114131	1164.012525	859.3279453	1152.250401	773.0229488	897.3822859	953.7390094
1.55_486.2207m/z	486.2207217	1.548516667	neg													1593.371986	1447.638361	1188.666022	1224.420749	990.2559198	1497.163548	1381.858314	1223.760423	1658.1858	631.8437721	1151.211389	2727.4776	2123.287871	1853.662761	1491.760347	1327.136743	1593.726394	1580.564107	1544.755366
1.55_507.8759m/z	507.8758664	1.548516667	neg													2119.765419	2417.943382	2142.539048	2258.51316	2209.031601	2316.162422	2967.008167	2316.383378	1777.789171	1967.336581	2612.069793	2116.691717	2146.126939	2450.663204	2028.568265	2546.185481	2181.563972	2314.191923	2149.590862
1.55_510.1178m/z	510.1178332	1.548516667	neg													461.7636054	805.0147033	726.1011745	1048.631873	511.4656505	551.6472469	1110.249804	911.3096698	1297.821285	511.9590791	933.6677614	644.2227824	421.859018	611.6582257	582.1428401	498.0502781	486.1908617	151.6733121	516.1224577
1.57_133.0493m/z	133.0492679	1.5697	neg													54.98021046	40.1435274	61.95852423	95.69552425	75.58366969	60.87350269	107.2701473	101.6976715	95.67951215	100.6347728	143.6638618	122.3425255	124.2031792	104.7811002	148.7264751	159.6279454	91.48951385	83.95950486	155.96903
1.57_160.0425m/z	160.0425493	1.5697	neg													1502.330495	1344.873544	1502.599871	942.7795805	1353.118491	1204.544703	1445.558479	869.2265169	1590.201179	1549.882467	1150.42275	4336.140573	1407.905438	1255.484329	946.6581586	1228.339738	1051.413703	1111.372361	1013.560283
1.57_160.0603m/z	160.0603139	1.5697	neg													1323.388071	1358.414487	1389.442074	1455.61346	1541.570502	2416.111084	1050.145759	1133.674872	808.9139295	1918.777965	825.4553203	1624.963905	1290.49842	1093.925601	1569.068916	985.4906031	1525.725692	1357.663221	1859.907336
1.57_160.8408m/z	160.8407772	1.5697	neg													2304.457103	1920.401736	2028.063414	2024.11792	2033.028779	2074.359945	2266.343788	1964.130645	1765.993535	1724.488614	2126.490521	1949.077416	2098.938891	2038.329421	2077.963592	2081.895031	2057.579219	2054.689588	1949.560441
1.57_228.0483m/z	228.0483409	1.5697	neg													508.006976	435.7383323	439.1781425	453.3587045	503.9635331	924.2112086	333.5134973	356.5546547	256.3938528	705.9853267	282.2294937	570.5450212	350.4038217	396.8214062	505.3679538	336.3347835	469.5663315	422.7828556	702.2320628
1.57_232.9799m/z	232.9798957	1.572783333	pos													1952.573705	2644.189855	2962.13742	2952.255473	2296.958709	2282.136273	2192.962815	1949.89804	2028.244499	2158.863673	2353.179455	2945.767569	2414.9165	2749.580613	2701.735842	2649.707097	2467.660344	2820.34992	2212.36192
1.57_251.6651m/z	251.6651444	1.572783333	pos													5828.072035	5520.392908	4926.469153	4063.964248	6623.070116	4955.51698	8991.78834	1384.473156	994.4636492	9585.692889	6081.67177	761.6508122	4701.646418	5885.485859	6833.547634	5389.378688	6572.868398	5774.690578	7796.010838
1.57_265.0928m/z	265.0927941	1.5697	neg													282.3325172	204.9128672	217.6051654	98.12149362	54.27165115	756.4684085	0.000297236	437.0997108	529.5532888	456.9525557	44.44302789	338.8294051	61.92716209	78.68047316	145.8806666	0.000297236	126.6154611	39.10147058	69.63306114
1.57_296.0185m/z	296.0184833	1.5697	neg													888.2319663	898.5996068	824.9990781	548.6587367	917.1894825	829.8788223	871.453513	411.9945369	1008.498698	1211.95188	645.4611518	2883.810646	959.8302281	851.8860052	530.7686789	862.9542107	718.4235715	946.7217416	686.8147622
1.57_305.9743m/z	305.974264	1.5697	neg													236.9927739	168.7227572	248.0617981	121.0716166	206.9217092	110.6104546	272.1777975	134.7392425	230.5902883	202.4783594	316.6746818	1086.952991	334.0778713	188.398747	214.0603625	152.7333633	152.2524023	169.3866432	266.2730636
1.57_309.1125m/z	309.1125399	1.5697	neg													251.210299	255.7302481	265.1457706	294.781271	160.708308	499.050192	286.0092336	400.0453175	581.0480114	239.0131405	274.6540463	120.732291	236.9293092	246.3745376	269.9322898	176.6706845	210.2798414	266.3341084	267.7384324
1.57_364.0064m/z	364.0064428	1.5697	neg													621.3506583	650.9474437	692.5101095	352.4837076	593.1434523	516.5056005	535.7946741	157.6503473	497.9175834	488.7785783	446.3581759	1922.884788	619.7362164	510.9283751	320.3055078	604.3664852	246.6780532	467.8010787	407.2664383
1.57_526.8757m/z	526.8756906	1.5697	neg													6020.085791	7491.306638	6383.069028	8242.344978	6534.971322	6523.351002	6443.463586	6675.89815	5822.664443	7538.539187	7732.732926	6311.717046	7609.666411	6475.798908	6812.144548	8122.61075	7412.644993	8732.304302	7012.762838
1.59_116.0528m/z	116.0528122	1.592583333	pos													2406.331491	2175.062991	2152.982448	2065.897673	2167.425747	2123.497076	2145.065602	2134.784361	2653.035447	2168.889189	2305.943085	2937.992959	2407.091166	2399.049109	2356.670319	2482.127564	2274.375628	2334.673863	2083.509169
1.59_135.9454m/z	135.945353	1.592583333	pos													4011.068625	4815.489942	4167.158355	4302.408385	3816.379983	3855.778518	4117.682877	4190.343307	4425.545678	3806.874454	4168.559654	4432.680201	4946.766261	4710.924989	4512.604866	5068.534359	4469.227523	4641.239159	4217.613193
1.59_150.0892n	173.078506	1.592583333	pos													14755.64235	19635.28702	15831.20602	24787.17993	20461.59543	17645.79699	24366.8443	20957.39459	22801.48616	19118.50023	27159.80434	29761.87631	33068.97533	21169.33656	26800.2752	21698.157	21006.1334	24671.04168	22365.30261
1.59_154.0441m/z	154.0440918	1.592583333	pos													477.6277118	347.271226	357.9208679	478.2021629	483.8897131	443.618742	427.2496948	81.99337173	183.6145186	622.9549302	267.0005683	496.0587678	569.690523	491.4080519	458.5881413	333.0547724	393.3105652	465.2967969	649.9779475
1.59_169.9975m/z	169.9975346	1.592583333	pos													4893.862701	5188.149783	4898.758419	5026.326864	4557.679293	4816.909538	4813.717715	4609.795635	5593.761046	4991.311743	4881.101453	5540.34335	5073.388788	5462.572323	5663.867604	5477.36098	5031.283108	5249.006992	5109.613025
1.59_196.1543m/z	196.1542806	1.592583333	pos													8504.568589	10005.2521	9220.828779	12283.20592	10372.02182	9287.58341	12714.57977	11503.0637	11923.08972	9436.100091	13253.67158	13801.67288	15387.23585	10524.13073	12993.56866	11382.13724	11169.09325	12661.21233	10877.27622
1.59_214.0034m/z	214.0033921	1.592583333	pos													2494.857596	3324.082801	2668.891907	2725.146892	2931.024403	2909.954272	2517.398037	2382.425365	2787.227039	2492.649021	2743.125798	3225.279095	2975.961573	2647.439828	2661.545657	2714.359175	2604.700233	2525.028187	2719.197601
1.59_289.0127m/z	289.0127027	1.592583333	pos													1928.036524	2495.958501	2465.118662	1785.469571	2487.372858	2211.912938	1632.4565	762.0746583	1203.217344	2626.115675	1250.802897	2110.348744	2648.469375	2222.155954	2146.133796	2181.829456	2109.74954	2104.258989	2347.108547
1.59_303.1911m/z	303.1911307	1.592583333	pos													994.9602183	1176.295198	881.7132354	0.000297236	126.4039437	200.7212331	0.000297236	3999.781692	8138.829534	0.000297236	0.000297236	7157.486519	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	142.4012018	0.000297236
1.59_308.0446m/z	308.0446138	1.59115	neg													7098.225716	6836.614563	7440.993633	7679.512543	9401.398381	11185.82939	11165.55913	5413.384677	3146.65188	8514.167093	7576.825298	2392.513101	9432.933097	9326.45915	7386.194749	6153.246625	7679.640972	5955.182716	7759.313839
1.59_342.0306m/z	342.0305807	1.59115	neg													133.698184	170.8737287	161.9465214	0.000297236	94.14693581	129.3673977	139.7889272	0.000297236	0.000297236	156.6972841	126.7087832	106.7274325	169.6082235	84.46299963	71.15073313	200.3859345	66.8223285	0.000297236	135.6665228
1.59_343.0238m/z	343.0237898	1.59115	neg													411.3506584	460.7621202	523.5036163	426.6722574	729.0813429	645.2613475	439.3377127	246.2701262	230.3106414	664.5689202	304.5079617	429.4426112	546.2653834	580.6409018	715.2049554	409.0126967	543.4147571	592.5589382	832.565784
1.59_372.9642m/z	372.9641883	1.59115	neg													432.8305291	261.6484477	429.2381363	152.8616752	321.4474897	330.4339654	249.9572934	0.000297236	121.7849707	374.040163	242.6401848	1039.560906	478.3611524	328.4917729	292.9626364	251.5044615	404.1028263	326.6059421	571.7577682
1.59_381.0448m/z	381.0447794	1.59115	neg													783.7379036	794.547163	916.4031925	758.5250936	1143.778409	1080.036023	637.5816489	267.1885567	409.0049312	1060.755197	588.2779531	611.0124822	868.8376215	698.9678045	1071.928195	624.9516099	926.0633923	742.9821583	1063.563484
1.59_383.9965m/z	383.9965331	1.59115	neg													106.2722266	130.5594636	107.5558434	153.4993236	165.0186017	219.6879866	121.9142719	0.000297236	69.49765965	132.1304436	186.1347598	218.2531172	179.0308387	65.52778118	146.2886287	213.5974093	216.2376285	90.24950407	322.8167002
1.59_487.0309m/z	487.0308749	1.59115	neg													5220.499489	5897.868985	5886.400856	4893.554234	6996.975301	7152.624608	4704.143368	3425.204771	3570.717149	6966.352061	4607.465125	5248.902064	6253.427916	6103.457409	7419.105368	5985.83406	6048.251005	6036.15075	7373.829297
1.59_555.0181m/z	555.018101	1.59115	neg													1885.253523	2103.010401	2276.022016	1865.41356	2543.577848	3122.976625	2300.133938	1034.223718	920.8233422	2441.308321	1561.563475	1490.014591	2242.645101	1859.862396	2403.348066	1714.025048	2612.384237	2396.22076	2716.460552
1.59_623.0054m/z	623.0054238	1.59115	neg													838.6947606	1375.664788	928.8533299	549.0868288	1407.254296	1524.118959	929.6401172	639.4019004	633.7389085	1237.965044	688.3388496	881.8871346	1042.608263	929.5317801	1458.573974	887.778012	1172.063174	637.4847376	1914.38973
1.61_158.0963m/z	158.0963181	1.613583333	pos													1473.496553	1687.874515	1262.915222	1427.56415	1385.270658	1438.685061	1363.466149	1313.34834	1467.79517	1428.032728	1543.752499	1515.583228	1516.72826	1511.651728	1336.433268	1714.920534	1444.62125	1523.974466	1323.202569
1.61_161.0808m/z	161.0808263	1.613583333	pos													733.2789803	979.4380844	595.6495209	739.0461981	933.7301577	776.1457848	623.4433186	652.3399647	878.6382214	1167.126341	592.9020439	949.8092423	1098.817274	918.8270249	546.0347034	870.8136435	638.54104	520.8972963	750.2893766
1.61_175.6129m/z	175.6129232	1.613583333	pos													684.2387059	840.266815	728.5893607	687.4008601	1223.753207	547.890962	799.6968656	568.5301471	510.6078358	857.8480662	828.8212926	414.6967484	952.5600213	896.47567	300.0866537	547.6186443	665.1774005	429.1916829	676.4667752
1.61_251.1640m/z	251.1640456	1.613583333	pos													7621.55899	6851.371683	6417.495284	6814.043819	6983.45901	6520.370121	7806.700804	5466.944849	5781.289185	7713.301421	7024.408652	5610.440804	6979.851058	7150.034164	7150.754952	7318.548458	7417.157913	6479.75733	6675.538052
1.61_320.0733m/z	320.0733076	1.611566667	neg													714.1605772	970.4490774	910.1860994	1106.646638	590.092015	749.2833252	671.1166026	880.300644	1269.559559	597.7311932	734.7737326	1513.118719	645.3054017	643.2145157	804.9253987	589.658139	516.3540634	535.1046697	1203.358323
1.61_326.0726n	325.0652773	1.611566667	neg													2071.98596	2347.984714	2265.253127	2458.58644	1933.939831	1889.74545	2614.648107	2250.367228	3046.038431	1887.462653	2624.512495	3456.993449	2006.440947	2567.548264	2064.348993	2317.010023	1588.640444	2309.640802	2627.951891
1.61_393.0529m/z	393.0528721	1.611566667	neg													2084.263296	2044.93592	2118.680743	2345.743265	1636.5199	1585.313604	2208.268794	1863.162442	3175.736009	1321.026093	2066.138809	3261.442308	1817.006391	1961.721119	2114.642093	1742.820732	1541.834689	1659.623966	2370.595594
1.63_146.0527m/z	146.0527052	1.633016667	neg													508.7917938	531.331769	561.187574	485.0565053	153.9179317	342.8647646	114.9569976	1127.405802	969.6588017	160.8116096	266.2581463	1888.59939	349.0923553	244.7288493	274.6195076	327.8764404	408.0305869	608.845783	483.9650386
1.63_158.0621m/z	158.0620729	1.6338	pos													1970.267594	2056.473282	2089.915694	1909.380539	1731.86252	1868.370048	2380.681181	2258.5539	1934.408173	2308.009367	2227.833584	2016.239201	1917.122328	1910.422689	2020.591202	1956.792625	1909.125718	2162.435122	2028.482432
1.63_162.0217m/z	162.0217315	1.633016667	neg													1932.979176	1632.63732	1960.754312	1763.523615	1886.622057	1953.112839	1926.094933	2283.308565	2390.06193	1610.883944	1708.899296	1852.761308	1929.503645	2121.938208	2281.369733	1824.393478	1956.296768	1803.521949	1765.755481
1.63_164.0374m/z	164.0373909	1.6338	pos													313.0430652	303.5163232	223.1345406	194.28254	251.6064844	347.7717195	157.0724029	428.0279942	427.0841135	184.479775	143.1459505	286.3345669	338.8922217	519.9263948	503.3781324	351.2313045	312.5673361	286.2618362	299.9988065
1.63_167.0814m/z	167.0814061	1.633016667	neg													455.246727	424.6350378	465.6253069	213.4946135	550.6183376	519.7658721	833.5721303	205.0198744	190.7567124	665.9140997	424.3535344	92.39618087	758.725676	719.800512	418.778935	330.4952438	481.4669503	153.7145534	310.6090661
1.63_201.0085n	181.9906471	1.633016667	neg													6900.495104	5465.630921	6207.960529	6176.855188	6533.368955	6335.837319	7936.551058	9594.367204	9131.474994	5957.513733	6811.844516	4747.753188	6332.263731	6162.264946	6486.966159	5189.042542	6966.968253	5235.614175	7711.139457
1.63_230.0277m/z	230.027722	1.633016667	neg													404.2480694	370.6141453	608.5123405	232.120726	63.51934121	307.6853386	41.27844834	560.8160037	405.900017	84.66507835	143.7338556	1674.204504	245.724238	270.5127302	186.043355	263.5408558	461.999534	730.8232627	535.8958162
1.63_243.9918m/z	243.9918088	1.633016667	neg													6239.868528	5383.089089	6059.591682	5849.63102	6334.851552	6627.758779	7686.418723	9650.250558	8577.188225	5915.856105	6893.435732	4954.166284	6121.055142	6744.23172	6158.838894	5096.081917	6627.688869	5065.845417	7639.215045
1.63_261.1410m/z	261.1409675	1.6338	pos													1124.550689	1104.026622	969.0984936	833.4603411	1824.592912	1155.503392	1852.349923	152.4365941	0.000297236	1405.224653	1187.042383	237.7339036	1413.224247	2177.184346	1874.027452	1986.413312	1547.668518	1773.10034	1778.358476
1.63_268.0493n	313.0478421	1.633016667	neg													1570.476755	1652.50538	1324.231468	784.6098901	1795.875832	1624.253299	2985.93061	480.6222937	711.2980379	2733.748671	1586.419914	376.551643	2373.170674	2507.721334	1559.812912	1260.237683	1817.705179	473.2972138	1072.118212
1.63_270.9968m/z	270.9968157	1.633016667	neg													676.4142999	547.1876224	681.7736828	497.4838845	426.6172456	335.8766231	733.0078078	1046.430364	798.7113003	660.1152847	347.044764	1303.783743	394.0695308	518.7379604	603.1288737	524.0303429	447.2227179	442.6679029	390.9225542
1.63_311.9797m/z	311.9796544	1.633016667	neg													4192.875735	3171.381809	3907.911999	3781.194418	3895.121695	4164.491792	5004.332962	5867.048032	5353.189448	3843.396554	4313.84576	2999.172153	4300.704269	4294.520505	3882.046854	3505.291514	4717.371535	3179.580564	4668.645523
1.63_312.9629m/z	312.9628901	1.633016667	neg													582.3119141	579.7353276	684.1508004	504.0238964	84.52795388	381.3149458	46.35388263	1519.387461	1239.873751	77.75804958	252.3951202	2455.611249	297.1583196	321.4996379	141.4990421	357.0126794	338.0545908	782.502963	478.2919549
1.63_349.0129m/z	349.0128912	1.633016667	neg													1542.085782	1584.93414	1614.958847	1764.235233	286.6671127	1210.958088	267.7938693	3852.718175	3507.424658	469.0785552	971.1355152	6214.104696	954.799255	935.4820271	722.590681	1018.356089	1472.084343	2056.1574	1384.170654
1.63_380.9503m/z	380.9503367	1.633016667	neg													397.7929879	573.6804048	453.4418449	380.4141224	0.000297236	288.4344567	39.27236449	1392.73517	972.6428976	73.3519416	327.9535957	2172.144337	183.4454397	199.0177797	139.1873715	292.0555897	402.4996401	583.1506562	305.353133
1.63_417.0003m/z	417.000328	1.633016667	neg													791.4441883	1012.272272	889.671227	1019.165297	94.31317643	623.624612	113.6432963	2817.764682	2372.993128	252.1677391	575.4563143	3811.808885	481.7534773	432.6160431	485.0781106	649.5608492	930.7920062	1206.028297	967.5682917
1.63_484.9880m/z	484.9880264	1.633016667	neg													464.3111873	712.7171829	781.4138106	516.0731069	88.66756838	320.2019512	0.000297236	1414.718444	1047.300248	100.6874458	358.5603204	2206.981534	329.3467007	306.9586832	241.2900441	447.5280195	268.6312822	868.4526694	601.3597945
1.65_142.0223m/z	142.0223327	1.651983333	pos													253.4962638	265.2443926	370.1055336	232.9058151	0.000297236	205.7703046	0.000297236	701.2175999	400.6263745	0.533169564	164.87874	1716.792668	219.2335552	0.000297236	84.43968253	116.0040882	272.805687	330.5585612	298.8343353
1.65_191.0815m/z	191.0815337	1.6536	neg													880.3509513	769.665718	914.2006378	606.0092976	972.5520896	1624.886937	1036.935046	308.3572168	444.2509136	1870.914503	776.8776744	278.3687301	1185.517989	924.8645435	843.1708158	805.7060182	990.9536302	702.019682	656.9918652
1.65_208.1906m/z	208.1905608	1.651983333	pos													7112.411079	7534.865181	6911.247604	6464.617337	6324.294504	7630.913645	7404.975355	6774.533547	6708.648818	6977.455544	6575.248531	8488.027541	7577.232311	7641.237236	7036.975922	7443.801689	6599.714575	7222.836903	6717.585501
1.65_216.9667m/z	216.966722	1.651983333	pos													2489.628465	3476.522741	2981.457938	3394.486393	3315.38976	3005.644038	2373.851808	1860.117898	2662.39525	2699.466835	2709.012426	3713.818406	2787.834012	2567.107998	2458.553929	2805.500834	2539.564688	3086.793598	2356.702796
1.65_242.0108m/z	242.0107524	1.651983333	pos													1720.792809	1684.142897	1983.045192	1730.78196	403.2041124	1393.250836	227.6766407	4103.245795	3486.666679	587.0295773	926.7053076	7709.088188	1179.50162	1169.360786	1012.039079	1286.261566	1635.192951	2410.674952	1934.416548
1.65_245.9819m/z	245.9818643	1.651983333	pos													1722.459474	1850.420264	1718.164919	1311.174187	770.7528622	1216.115607	1014.309518	2382.09042	2505.187501	739.0691031	1170.826947	4875.326998	1340.977116	928.8307795	1305.174288	1294.618084	1281.687339	1938.50892	1625.372846
1.65_289.9731m/z	289.9730685	1.6536	neg													695.0995188	607.7917856	1009.328251	561.1920092	411.1764675	629.4498203	551.8956919	949.6419603	905.5414921	549.7559711	529.9774132	1313.373141	480.5670635	670.1166744	502.0006348	632.624071	580.6145826	750.5160407	624.9732905
1.65_292.0559n	337.0544316	1.6536	neg													217.1067364	195.5038916	282.2443689	80.17712062	210.2312673	246.7667872	238.2556992	57.7299716	3379.92388	336.4061079	157.9033749	3830.494809	231.4679327	187.5317671	149.8241526	174.0998142	168.4561076	129.9158266	100.8812696
1.65_93.0105n	131.9742731	1.651983333	pos													110090.817	114346.5641	113871.0276	119054.1979	108572.0618	110936.7768	113252.4367	109802.5296	113026.7497	113755.9544	115649.513	122634.1201	119778.4011	118827.5632	126610.9232	123822.2996	120111.2637	122363.6093	110979.3505
1.67_118.9428m/z	118.9427519	1.670633333	pos													3899.040979	3742.388943	3691.963499	3713.742863	3533.346637	3541.678166	3789.331197	2969.783178	3547.107194	3532.181194	3675.86375	4009.216175	3796.262678	4064.283578	3988.823933	3837.909627	3928.658678	4168.79681	3945.836861
1.67_154.0584m/z	154.0583857	1.670633333	pos													4294.277075	4129.230592	3995.563234	4021.600704	3612.342425	3737.399507	3743.114843	4096.714812	4424.896425	4105.857055	4099.268685	3943.724223	3973.496766	4271.160341	4030.427261	4230.649491	4074.022375	4226.432564	3542.128439
1.67_156.0654m/z	156.0653685	1.670633333	pos													954.4733621	941.7235353	883.0280546	1123.129669	885.225545	908.0731106	967.16388	804.2141769	1043.865617	792.7149706	966.5909514	1057.428315	1058.564701	862.8165783	1045.596414	1137.705392	842.5564767	865.1830578	896.1173606
1.67_182.9621m/z	182.9621282	1.670633333	pos													9738.888369	10053.00777	10142.24242	11162.21497	10451.15362	10054.78258	10164.04842	9924.73757	9420.506396	10124.88458	9992.958082	11251.0646	10538.85452	11184.0556	11168.94684	11840.88681	11177.84226	10819.21906	10259.53623
1.67_184.9608m/z	184.9608045	1.670633333	pos													1204.685096	1028.851797	1236.329141	1282.551027	1208.74103	1087.630859	1298.857364	813.1972215	898.7773537	911.6986396	856.6504061	921.8652931	1248.914143	753.4693792	1387.204296	1103.473052	1311.156487	1024.949206	942.6672783
1.67_186.9924m/z	186.9923793	1.670633333	pos													2121.317985	1946.454531	1853.838965	2010.961986	2130.891944	2000.455561	1910.736008	2014.385375	2809.736092	2798.241124	2221.839978	2147.064459	2098.237198	1839.01233	1995.492595	2128.267553	1818.097753	1816.381444	1738.43048
1.68_264.9143m/z	264.914259	1.67535	neg													1553.351454	1650.536462	1466.747708	1516.074204	1549.574036	1614.022078	1670.214612	1546.110563	1519.210878	1476.568955	1576.250916	1553.079083	1531.431898	1410.16342	1642.638956	1787.569394	1543.456764	1779.946947	1576.111037
1.68_376.8518m/z	376.8518137	1.67535	neg													2854.962229	2445.823044	2461.272658	2634.350202	2385.28208	2636.513157	2885.96148	2885.886415	2468.675826	2457.748563	2552.895012	2173.31001	2385.880915	2897.019209	2569.499041	2572.724569	2399.585953	2685.172698	2221.85085
1.68_507.8759m/z	507.8758933	1.67535	neg													3586.074761	4445.169818	4175.439201	4727.668757	4383.436164	4504.723044	5094.10607	3898.955559	4280.259426	4666.937323	4973.47024	3183.42977	3905.502246	3782.045814	4191.535097	4454.906938	3871.991594	4725.167126	4176.707236
1.69_111.0531m/z	111.0531422	1.689733333	pos													1340.111886	1213.381836	1241.76374	1249.795836	1120.718294	1252.926087	1341.708012	893.7131949	1269.060475	1297.414309	1208.504919	1356.529554	1241.621288	1308.439585	1345.813171	1240.853624	1338.513124	1225.165416	1292.731371
1.69_113.9606m/z	113.960634	1.689733333	pos													994.6752995	1619.504144	1103.329318	961.0815285	1029.052189	875.2462571	1121.490129	1248.795981	1484.219756	1302.425188	1211.198908	1354.325631	1250.467427	1562.951929	1410.525636	1336.443419	1354.343894	1199.72484	886.2662751
1.69_154.0441m/z	154.0441105	1.689733333	pos													183.2364239	257.7232224	289.8741771	135.8939548	187.8463487	270.8269397	173.5172004	152.0145645	99.7465288	192.0078859	99.01265632	333.1178629	187.3499208	176.8793995	254.944107	255.164145	227.7562647	203.2353732	250.7392182
1.69_211.0311m/z	211.0311455	1.689733333	pos													1419.985877	1315.895218	1138.322399	1382.16257	1456.660531	1648.000768	766.6232512	978.9152223	1035.615862	1469.639271	992.5613871	1994.1698	1642.407839	1224.598277	1806.905998	1601.854208	1369.129192	1426.473981	1695.884425
1.69_284.0754n	285.0827089	1.689733333	pos													206603.5864	222565.9032	211128.8311	179449.0574	223115.5023	239727.6809	153245.7328	148188.6654	140237.1413	234758.2113	140165.3532	293529.5533	221540.1992	206124.1978	268433.2495	228222.8967	245235.2956	225628.1747	284857.364
1.69_328.9150m/z	328.9150056	1.689733333	pos													5471.205796	4814.967061	5353.079616	6657.977366	6265.623471	6240.395318	5876.404452	4711.98899	5728.384187	5435.779887	6356.161037	5651.821266	6555.437025	5747.148357	6166.316648	6515.505527	7230.813284	6149.323215	5288.985666
1.70_144.0413n	189.0394581	1.696866667	neg													1499.113872	1174.176841	1311.812739	1495.4831	886.5957501	1183.258158	801.8968884	1828.881265	829.3765599	757.4605137	1006.18153	1251.94025	1112.399321	873.5371684	948.3151927	1285.677305	1466.72644	1893.553405	935.7888218
1.70_192.0326m/z	192.0326108	1.696866667	neg													4262.705045	4529.537481	4446.490363	5094.918323	4292.511822	5631.090345	4241.932394	5349.244746	4916.780962	4624.566793	3984.638308	4319.238678	4275.003434	4123.641524	5096.291234	4552.890517	4725.815302	4346.389021	4097.662097
1.70_341.0269m/z	341.0268631	1.696866667	neg													2546.329298	2708.603066	2675.087628	2014.941332	2646.450565	2975.807737	1710.913619	2133.707525	1801.255523	2893.510526	1776.222432	3460.879763	2620.589195	2412.734855	3032.776406	2739.498001	2951.994529	2885.405428	3197.551767
1.70_346.0639m/z	346.0639109	1.696866667	neg													1110.592279	1151.21136	1186.108153	995.6245802	1101.850928	1432.315724	783.3973155	824.9549011	999.3580367	1333.93414	844.1066321	1366.002353	1144.91769	980.6078271	1414.740161	1272.185638	1308.286185	1160.026467	1371.595212
1.70_368.0459m/z	368.0458579	1.696866667	neg													6038.958552	6397.849418	6696.738619	5346.507545	6647.140915	6558.48689	4110.484812	5732.756818	4647.203589	7193.644292	4782.99102	8114.93003	6212.73834	6173.191188	7674.030052	7124.713771	7585.34587	7170.852596	7998.815361
1.70_380.9670m/z	380.9669613	1.696866667	neg													1412.027539	1315.986699	1215.645523	1238.249489	1414.49422	1228.186231	934.6873387	1313.786796	1041.446298	1529.165537	1047.911878	2060.593226	1361.172945	1392.618585	1271.478527	1284.520319	1436.544285	1423.301174	1586.016982
1.70_382.9932m/z	382.9932128	1.696866667	neg													2453.595734	2416.923346	2748.414962	2051.234614	2496.714154	2669.982463	1456.370075	2396.042566	1828.08812	2524.150011	1788.180776	3010.795099	2200.305143	2327.468845	2718.216904	3157.414206	2863.369154	2607.861306	2964.426989
1.70_409.0145m/z	409.0145313	1.696866667	neg													1188.991544	1185.10697	1323.386695	870.7106882	1094.919325	1342.708108	639.7517146	1018.097603	776.3346458	1233.65184	885.683666	1298.559897	987.0382028	810.8380741	1327.624017	1376.208595	1200.276842	1513.946592	1333.063632
1.70_436.0334m/z	436.0334358	1.696866667	neg													800.5256757	1095.528943	1148.159241	708.0321454	1067.295779	1070.164492	643.9782151	850.2975285	552.8762655	1121.163607	586.3491325	1056.35404	891.3812427	831.3699242	1164.331805	1279.807603	1285.378326	1060.529748	1157.083875
1.70_441.0253m/z	441.0252542	1.696866667	neg													3879.951303	4442.378026	4498.252394	3987.096596	4511.48856	4387.098794	2853.471041	3907.149444	3586.998241	4567.879892	2875.815317	5635.153295	4294.612882	4090.196742	4741.51975	4442.053567	5271.240487	5128.400038	4981.596016
1.70_518.9680m/z	518.9680324	1.696866667	neg													3778.887394	3673.842365	3880.304589	3232.298148	3969.808966	4240.786455	3085.732516	2603.387707	2298.458769	4146.940682	2254.465497	4287.284935	3765.525762	3576.022708	4698.175128	3605.065552	4360.835752	4156.522118	5291.78672
1.71_129.9515m/z	129.9514842	1.70895	pos													536.3876716	816.9103967	717.9219655	620.7890198	484.7768872	440.8844063	416.7112659	532.8007908	489.3048223	659.2747857	595.0491273	667.4799256	763.628975	533.0492324	695.0188465	551.5906869	628.1490431	638.0569892	647.7809408
1.71_129.9542m/z	129.9542172	1.70895	pos													431.3806509	661.8320521	552.4223901	464.2930833	374.8848194	496.5399582	345.5046926	344.1996722	182.3865077	215.1392007	350.8570171	425.5358393	492.4572333	226.8482718	431.8708414	453.7230149	525.4256811	584.6538253	299.2536869
1.71_178.9707m/z	178.9706581	1.70895	pos													5484.781015	5835.234823	5003.724783	5458.273015	5559.920833	5061.006614	5436.571168	5302.870281	5531.939968	5236.248224	5691.845056	6026.317359	5919.825472	5732.162653	6648.60411	6095.010369	6256.450525	6284.348068	5680.564132
1.71_186.9924m/z	186.9924228	1.70895	pos													1083.2165	1229.231071	1098.569464	1010.194677	1222.114477	1134.704153	1121.231996	1190.014455	1253.804742	1399.283968	1195.870233	1123.888381	1264.479244	1142.751144	1119.245713	1232.670202	859.3179161	921.0206945	826.4144224
1.71_187.1324m/z	187.1324156	1.70895	pos													7497.070461	8410.068129	8937.405376	8582.803744	9308.051988	9572.332993	9039.432861	9796.641973	9668.727679	9044.778524	8845.457502	9032.377631	8685.953403	8684.088372	8789.159056	8318.261927	7383.375581	8875.428982	8334.384149
1.71_200.1159n	183.1125998	1.70895	pos													7642.148274	7618.025484	7757.630182	10092.09385	3389.308647	3554.885729	9688.242898	2441.146982	2789.748034	4248.502673	8517.170364	4357.98085	15760.36287	18935.75957	6141.400898	5308.442431	6092.217138	4330.159903	17148.93485
1.71_214.0034m/z	214.0033995	1.70895	pos													3313.704555	5252.41771	4313.507269	4515.157536	4657.829556	3896.582906	3531.792285	2818.755854	3664.211219	3888.318099	4008.223985	4998.838792	4070.864713	3821.668143	3590.002334	3770.285636	3960.873405	3828.652308	3741.827942
1.72_162.0477m/z	162.0477179	1.718133333	neg													53.35798616	41.98301524	35.29307985	84.68646826	104.2729397	17.38009264	42.29136611	128.9077465	115.824835	16.77100614	61.39460856	86.13525388	56.80548212	16.27391691	88.42690571	44.64236233	50.73886553	36.57352832	71.01621725
1.72_186.9284m/z	186.9284321	1.718133333	neg													10279.82131	10181.72149	10592.31358	10540.1169	10309.51589	9935.84035	10471.0165	10419.49777	10521.90785	10364.79246	11060.43177	9869.842839	10174.69879	10561.78717	11044.0878	10584.7797	10993.79383	10899.87821	9691.245744
1.72_197.9014m/z	197.9014073	1.718133333	neg													16003.42331	15585.66386	16185.76236	15923.84908	16059.34053	15820.34129	16986.48724	14404.1623	14666.89481	16000.42116	17025.26906	14530.55389	15706.67214	15839.37613	16055.30174	16829.28813	15977.57283	16830.44027	14975.53256
1.72_211.0216m/z	211.0215824	1.718133333	neg													428.2077219	555.5410523	440.9090605	240.1432954	661.2374673	276.4949785	214.6320158	2869.492583	839.5070242	295.810104	193.6343991	315.6282097	377.9321741	185.0220513	186.242078	175.0327679	319.0401407	319.463298	293.8500829
1.72_273.9032m/z	273.9031763	1.718133333	neg													4767.687198	5157.832064	5088.73888	4949.036468	4700.221674	4967.142075	4668.626572	4694.53389	4976.256829	5053.290968	5406.584626	4759.336448	4649.212565	4891.936571	4586.012019	5253.383468	4958.325538	5267.470952	4979.844864
1.73_120.0237m/z	120.0237339	1.728933333	pos													33185.25685	30864.77145	32157.78538	32884.63752	31029.85855	31687.73538	32974.16006	31577.59797	33667.57914	33284.27855	34248.22293	33716.85595	33150.40166	33255.73862	34811.64136	34935.79789	33762.90915	34241.18165	31228.52939
1.73_125.9863m/z	125.9863391	1.728933333	pos													21487.95056	20721.00944	22732.78215	22754.19715	20221.6848	21553.46021	21806.04843	19899.94163	21602.60313	21773.81434	22140.45112	22028.27681	22886.76865	22089.61762	23870.29712	24307.55754	23475.19953	23614.99742	21355.16482
1.73_231.1589m/z	231.1589095	1.728933333	pos													7633.24517	6593.252054	6767.253455	6711.777881	7114.218273	7099.523088	6866.992453	9001.616006	8860.107497	6616.088914	7536.933152	6014.727905	5923.04159	6651.233717	6209.941886	6784.638256	5972.756158	6936.424585	6220.320444
1.74_123.9450m/z	123.94498	1.739283333	neg													13345.54202	12739.94827	13426.5493	13331.12034	13287.28306	13174.3789	13736.41439	13131.33065	13219.8318	13362.18975	13981.26604	12776.30231	13115.81131	12780.45616	13430.76997	14076.44367	13399.56815	13694.30438	12976.1738
1.74_177.0758m/z	177.0757514	1.739283333	neg													1785.954848	1756.985105	1824.412401	1008.651068	2919.902147	3929.869692	727.3797173	2425.312094	1404.50039	3259.974022	487.5023907	792.4155554	2165.132606	978.1676794	2346.574546	1140.021727	1916.460013	1551.619191	1167.766598
1.74_203.9359m/z	203.935925	1.739283333	neg													12422.06328	13109.58581	12212.28317	12467.19132	12837.34458	13128.68917	12994.78821	11682.81085	11790.126	13101.79948	13784.46997	12543.01416	12564.28514	12398.62957	12562.28063	13559.17535	12432.78964	13515.65941	12083.29103
1.74_222.9150m/z	222.9149917	1.739283333	neg													1374.007654	1261.319232	1392.999244	1318.513781	1354.627398	1338.662063	1410.234175	1323.206831	1168.530378	1298.468401	1465.252103	1071.223401	1327.499701	1387.655084	1300.517186	1428.834582	1479.616725	1479.765628	1351.816131
1.74_230.8808m/z	230.880804	1.739283333	neg													3671.575595	3749.851921	3413.89037	3813.719576	3704.174575	3731.007483	3847.372045	3597.810171	3505.075851	3926.331552	3537.144854	3363.785697	3671.1415	3567.050802	3561.218672	3665.426065	3839.611368	3888.069568	3355.1973
1.74_244.8880m/z	244.8879609	1.739283333	neg													1842.509959	1782.206659	2024.802862	1874.268758	1503.178644	1819.096242	1973.810141	1593.610006	1703.592544	1600.075542	2251.489497	1608.33811	1794.002243	1791.592628	1988.152471	1652.6017	1915.544894	1902.072406	1465.797664
1.74_248.8869m/z	248.8868921	1.739283333	neg													28244.3217	25510.28548	26313.09321	26100.19939	25829.11087	26678.48748	28152.78327	25434.32639	25915.08912	26621.98694	28232.81043	24609.80659	26823.57584	26800.0186	27009.62151	27322.69062	27426.65789	27495.62911	25626.22588
1.74_285.9085m/z	285.9085296	1.739283333	neg													12785.71298	12168.24376	12178.03305	12038.61598	11696.7906	12051.79313	13067.08245	11672.02639	12013.68344	12323.54408	12786.96174	11206.67026	12046.23549	12147.46588	11775.45852	12827.27311	12326.9454	12656.77024	11219.92473
1.74_318.8713m/z	318.8712655	1.739283333	neg													11651.01292	9980.234171	11122.64014	10406.96794	10696.5572	11199.04143	11298.54508	9853.212265	10531.90088	10941.43224	11688.74023	10420.82181	11098.08408	11782.44712	10857.6864	11609.31767	11389.97873	11891.79928	10310.61556
1.74_343.9057m/z	343.905668	1.739283333	neg													55951.50452	55710.69761	55880.82168	57211.28358	56977.88387	54405.70995	60889.56723	51821.42106	52042.02112	55301.347	57832.10655	50466.18665	55807.23236	55850.45757	56133.30562	59761.31069	55231.61554	60861.63463	51211.16807
1.74_358.1257m/z	358.1256715	1.739283333	neg													1080.116458	1019.821593	1214.195363	1126.321003	1004.146312	1087.212551	884.5225288	1121.640975	1046.32692	803.4311967	1006.360244	1261.212236	1041.015655	1004.980028	1020.700452	1101.102279	1009.440181	1159.255106	1508.951677
1.74_375.8430m/z	375.8430017	1.739283333	neg													34806.27578	32345.09964	31624.0892	30394.61535	30697.17117	30954.44485	35126.36433	30115.58714	30045.89169	32181.58979	32886.694	29685.20031	31793.68436	31908.92785	31812.47537	33676.80303	32546.68111	34899.13975	29706.37721
1.74_411.8937m/z	411.8937375	1.739283333	neg													5592.308419	6057.033129	5944.753067	5378.598784	5775.358523	5515.929191	5901.903435	4607.566568	5537.313997	5447.741114	6344.352163	5264.470934	5948.166097	5802.918286	5604.682132	6030.252114	6261.374957	6044.98608	5386.58305
1.74_433.8755m/z	433.8754694	1.739283333	neg													24589.70599	25621.47209	24403.2466	27367.11786	25301.67304	25511.41485	27856.72034	24946.42262	24076.05212	26860.70365	28873.2973	22567.61539	23648.20101	25009.73964	25795.26928	27517.87616	24755.17078	26347.04619	22094.43582
1.74_615.8419m/z	615.841941	1.739283333	neg													15709.28403	15357.34745	15253.15412	18159.74301	15767.26348	15312.54773	17861.54784	14174.63031	15946.84324	16994.61255	18908.51519	14341.4674	16530.98684	17853.87556	17100.59598	18135.30942	15715.25884	17896.38171	15045.37791
1.75_162.9927m/z	162.9927116	1.748516667	pos													844.6172984	1292.278112	947.8842034	1082.672698	967.7430715	813.5789956	390.2345466	786.6818964	900.163053	855.9748986	1106.554219	1136.031857	932.6388339	979.9972214	955.0348453	953.8726292	622.8973979	778.6100182	875.4999148
1.75_426.7100m/z	426.7099896	1.748516667	pos													2932.009748	2552.347431	2726.69544	1715.650511	2476.634258	2416.147544	1985.398969	233.0436119	1024.869486	4213.577716	3634.558363	221.9032874	4416.785975	4993.465236	2598.774523	1620.062921	3095.164725	1981.408229	2788.026981
1.76_104.9264m/z	104.9264494	1.760316667	neg													345.4991773	326.1811179	332.6986505	321.0620414	396.2912339	385.5175702	352.6452466	363.505278	332.9091486	358.1968468	419.1234832	345.1232005	352.7126683	346.3082679	361.3466607	356.4473746	341.9249526	375.1468628	339.5180832
1.76_121.9425m/z	121.9425237	1.760316667	neg													692.9387485	757.1775283	747.6188636	786.8612215	800.7701899	829.6599948	830.8369459	754.1091309	761.1599046	869.5390652	842.1937041	722.6763485	666.6239012	827.1264027	763.4975052	758.9616208	737.0583762	826.0606728	757.9779942
1.76_147.0649m/z	147.0648953	1.760316667	neg													846.6824957	912.1129238	865.4495981	689.0122579	1131.961879	998.7033136	659.4484154	1920.934076	1494.838403	940.3337982	712.2539667	1078.204304	838.5336329	681.6559246	650.2303257	484.4425312	606.091293	680.5771768	642.9909671
1.76_181.9365m/z	181.9364636	1.760316667	neg													2599.365929	2679.119395	2760.809041	2839.708369	2833.772944	2253.660645	2978.965542	3077.248844	2570.260021	2702.344785	3096.008327	2773.978604	2447.508694	2872.099402	2935.399659	2790.77791	2667.240995	2976.305533	2510.073596
1.76_210.0374m/z	210.0374203	1.760316667	neg													1238.254037	1138.075312	1322.864865	1008.051646	1007.621274	975.2597322	1006.41358	1804.559386	2243.490027	947.8294587	975.3593306	2104.923238	1121.176587	1113.424351	1167.534056	1134.731232	992.3089099	1012.2109	986.0310485
1.76_223.9784m/z	223.9783525	1.760316667	neg													833.6883232	779.2231719	919.2414423	784.0097311	1027.787639	826.0300377	1007.07136	589.5934998	617.0892353	622.3695367	881.3747818	710.5833005	718.8855941	828.2758815	734.7058272	876.2133608	716.6591542	754.063343	688.1712989
1.76_376.8859m/z	376.8859001	1.760316667	neg													8832.663437	9085.549994	9025.772831	9257.682686	9248.504673	8332.333899	8715.808204	8481.172962	8479.217914	8652.097921	9909.690717	8615.702733	8471.053339	9343.150119	9482.403807	9776.50145	8346.927917	9758.070698	8116.650369
1.76_472.8335m/z	472.8334731	1.760316667	neg													64635.52389	55141.20996	55328.37251	56983.86536	56260.80786	55349.89073	63060.17508	51637.14671	53406.79719	58392.03218	61582.10272	55921.30295	59526.76073	60466.99813	56871.45835	61102.19579	59049.77325	61475.35997	53871.52242
1.76_509.8028m/z	509.8027969	1.760316667	neg													8025.59252	8518.760654	8691.689627	8354.236752	7946.283469	8571.620012	9836.366955	6913.074579	7448.432043	8618.986258	9065.17721	7819.724356	8933.01836	9285.533761	8050.407061	9506.4642	9035.578375	10106.44186	7509.276869
1.76_512.8254n	511.8180925	1.760316667	neg													40728.30861	39487.30446	38854.48543	39473.24191	38651.28505	40029.22754	45555.71109	33997.47569	34565.7349	39810.33091	43148.08752	34492.21093	41172.97839	41301.76766	40013.05312	44796.971	39086.63594	42332.17093	34963.49177
1.76_540.8212m/z	540.8212398	1.760316667	neg													50335.91997	45732.19555	42888.81482	45233.94937	44612.47712	45588.3694	50517.09501	39839.60496	42013.08029	46855.97288	49118.14724	43417.3976	44991.25369	47907.48528	47307.1396	49912.03875	44603.66085	47730.58655	40821.66734
1.76_547.8553m/z	547.8553295	1.760316667	neg													23908.84814	24442.75755	22801.44174	25094.10345	22805.74636	21553.74833	25998.01929	21228.54532	22326.80327	23380.67561	26821.77622	21048.83265	24092.02516	25212.96397	23744.80128	26550.06223	22958.11933	26146.49574	21031.33519
1.77_105.0338m/z	105.0338391	1.768516667	pos													934.4746263	1095.720246	1102.33716	1184.215595	1089.399529	1108.460029	1243.411968	1211.602024	1151.988685	1083.083733	1335.405466	1104.612063	1075.264449	1054.979989	1099.083028	1152.988059	949.9804399	1231.992815	1075.787081
1.77_166.0723m/z	166.0722841	1.768516667	pos													4355.377104	5086.855874	4791.403161	5103.751187	4397.495171	4191.076136	4057.272393	4721.333545	4789.785246	3904.200893	4372.312684	6066.624221	4512.355347	4418.381021	5512.571754	4652.706156	4366.480716	4827.490701	5154.003683
1.77_272.2661m/z	272.2660992	1.768516667	pos													20120.67898	16298.88759	16954.81131	18321.89316	17329.7118	18116.05619	19170.33012	19516.73927	19262.78069	20698.27012	20049.64873	16895.05118	16016.28678	17354.31217	17501.91027	18404.89241	18740.44395	18032.9115	17825.44752
1.77_426.9608m/z	426.960764	1.768516667	pos													2916.322012	2502.173475	2217.904608	539.2426891	2175.110684	1322.564489	3869.602784	974.6390173	1103.663246	4152.888186	2656.688965	756.6069877	5471.652673	2870.591765	2523.481776	1939.936141	2339.173744	1014.136884	1803.580648
1.77_427.2115m/z	427.2114661	1.768516667	pos													717.6728701	622.4498563	837.7046204	766.6702334	418.9979306	745.1103837	1180.983374	0.000297236	220.5069411	1521.779739	880.9205645	0.000297236	2082.693341	1062.512843	513.4142321	416.412432	863.2397347	521.4334414	1705.666906
1.78_113.9439n	158.9422646	1.781066667	neg													638.8960741	715.5002051	717.0379854	19.18072121	11.4878179	18.30035596	0.000297236	4219.92421	4420.326918	29.51630969	0.000297236	3236.691321	10.45356562	8.177210269	0.000297236	9.279934683	7.545893176	19.1620334	22.07548218
1.78_150.9816m/z	150.9815611	1.781066667	neg													610.1080742	557.8401793	573.5970281	569.4517851	572.6438737	615.4229097	572.4863555	580.419184	570.4918383	566.1866128	637.1463895	480.3654737	571.9409236	647.2835742	595.6412353	606.8237712	607.1672554	636.461955	588.7780281
1.78_208.9462m/z	208.9461909	1.781066667	neg													258.4326708	294.4275744	205.7582703	85.96917398	0.000297236	0.000297236	0.000297236	1659.358276	1700.462188	0.000297236	0.000297236	1222.700862	0.000297236	0.000297236	21.47878223	45.67742773	20.26623424	30.56295135	0.000297236
1.78_218.9751m/z	218.9751178	1.781066667	neg													1273.982018	1264.438478	1171.186162	26.10227944	63.64229528	41.4189874	44.48703306	6484.138324	6890.738835	68.22444244	87.39833753	5196.458178	78.58169398	39.97556305	95.35003091	77.51245516	39.13512416	85.84525479	68.99960551
1.78_221.9022m/z	221.9021883	1.781066667	neg													3246.114189	3124.860684	2976.899238	3346.285555	2884.203797	3008.691032	3141.003861	2656.271609	3172.866139	2841.585522	3201.073219	3013.853385	2826.023107	2981.769199	3405.409085	3396.621133	3280.661276	3467.056296	2753.324713
1.78_233.9685m/z	233.9685098	1.781066667	neg													615.5796592	521.4941458	602.0194092	30.00411412	26.0320814	0.000297236	0.000297236	3010.576134	3238.649051	0.000297236	0.000297236	2704.451539	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
1.78_235.9656m/z	235.9656008	1.781066667	neg													366.7008264	358.8856722	377.1496124	3.652410629	0.000297236	0.775221725	0.000297236	2006.017742	2093.597222	1.022994349	0.000297236	1777.063059	0.000297236	2.960441729	3.518237877	4.308710192	1.924734631	10.94423024	7.348646016
1.78_244.9145n	488.8281219	1.781066667	neg													18859.72009	18630.59029	17186.13247	17280.95892	17085.65094	17108.96502	18261.20021	15442.25631	15006.40733	18236.68978	20195.95407	16234.93495	16496.94599	17766.16214	18461.34616	19796.66203	18376.13167	18803.61549	16602.40865
1.78_364.0876m/z	364.0876339	1.781066667	neg													1516.665031	1441.978931	1587.891371	1836.866911	1277.646468	1422.672316	1382.932035	1678.249923	1604.011563	953.5607187	1241.177539	2630.899489	1165.397913	1282.232652	1735.868378	1371.442418	1439.324436	1375.459144	1782.098416
1.78_536.8304m/z	536.8304193	1.781066667	neg													18601.83726	16419.04227	16776.87084	17473.00126	15339.34084	16242.44605	18592.17934	15033.77281	14388.11316	16023.34584	18356.26749	15988.67188	16157.64838	18251.6827	18981.58563	18805.83192	16981.25064	18865.41891	15446.45878
1.78_579.8060m/z	579.805973	1.781066667	neg													21976.44616	21933.97735	21462.89203	20924.61964	19649.54288	19377.15845	24028.54357	17288.87122	19025.20316	22189.53095	23757.62644	18400.6107	22218.77326	22472.6069	20874.88904	21611.36238	21498.2677	21347.93417	19176.69812
1.79_114.5252m/z	114.5252042	1.7881	pos													1829.862762	1940.920032	2384.664023	2609.565683	2278.799068	2353.214041	2509.772742	1858.210362	2292.127276	2438.787479	2538.502056	2261.82368	2334.440857	2213.214447	2403.869222	2529.918189	1754.838429	2451.512708	2117.792517
1.79_118.9427m/z	118.9427183	1.7881	pos													1672.180719	2030.673279	2274.109039	2033.661598	1934.500193	2157.611248	2223.27666	2147.71448	1917.635669	1989.250618	2115.623758	2238.967623	2357.033111	1963.789794	2191.902581	2176.216857	1637.415193	2064.014497	1797.01872
1.79_135.9453m/z	135.9453053	1.7881	pos													3483.751125	4526.511314	4194.856293	3984.624669	3962.504022	4111.81287	4276.292714	4024.736138	3838.264987	3707.294654	4020.066879	4282.799712	4711.107073	4280.542582	4421.45237	4468.69137	3508.869219	4247.983389	3759.37396
1.79_137.9868m/z	137.9868184	1.7881	pos													8776.218202	7615.856097	8886.514222	8860.632706	7593.434975	8186.686884	8821.224065	8417.093741	8623.524973	8275.015525	8610.09972	8329.542423	8672.809524	8821.574212	9076.080965	9399.767236	8685.665289	9578.106182	8551.333734
1.79_156.9744m/z	156.9744342	1.7881	pos													3853.473342	4506.416517	4494.495681	3758.121411	3723.237896	3569.686838	3541.076597	8155.039375	7887.401558	3936.900803	3940.658287	7298.257048	4331.555341	4004.241639	4435.658187	4291.523233	3596.03601	4026.095944	3802.282894
1.79_229.1433m/z	229.1433432	1.7881	pos													5734.997163	5785.659489	6115.257275	6580.707483	5439.094254	6544.514718	6163.13446	5062.901353	5317.562114	5628.314237	7115.755481	5500.906634	5759.972164	6094.796913	6880.490188	7538.780807	6591.600704	7558.331154	5584.277186
1.79_429.7135m/z	429.7134508	1.7881	pos													1930.330729	2487.884687	2433.698273	1585.473497	2218.794048	1910.905915	2123.415439	1944.901076	1699.454909	1183.694729	1895.939728	3374.893926	1690.658871	2240.860533	2368.143241	2825.57161	2083.371671	2751.75979	3521.503224
1.80_105.9343m/z	105.9343032	1.801683333	neg													1768.0326	1747.185866	1668.055134	1734.223663	1662.662006	1736.601694	1744.955816	1687.262552	1725.734817	1703.542701	1721.839404	1640.73072	1701.267224	1613.509508	1622.634313	1850.102993	1681.759162	1854.361846	1696.925538
1.80_132.0369m/z	132.0369136	1.801683333	neg													132.3201351	88.1745131	77.44186974	64.05571767	87.00326819	67.59744624	66.64363992	212.1702091	382.5331889	118.568891	42.38381666	168.1389982	44.13553433	74.37537754	116.8816671	41.61311106	69.52264535	69.86762399	60.13706836
1.80_154.0245n	153.0171774	1.801683333	neg													2205.904717	1849.989703	1762.32015	1589.953272	1737.22351	1537.030636	1504.862972	2605.20052	4421.996968	1913.792021	1476.481808	2661.156217	1776.401458	1928.227571	2019.070436	1474.306432	1687.92736	1712.391556	1487.330961
1.80_200.0555m/z	200.0555268	1.801683333	neg													559.1780846	532.4889504	566.6345052	562.4850576	743.9897537	267.2801335	495.8288253	449.6720515	285.1025081	378.6122627	505.9566649	748.8664733	580.628175	567.7429024	503.9518407	559.5639794	793.1578965	891.0124494	472.3602581
1.80_230.9592m/z	230.959232	1.801683333	neg													111.0656614	148.1583287	118.0351339	27.09888322	67.50828947	65.45583665	51.60010764	329.2289499	601.8858514	153.8078393	0.000297236	245.76628	30.22301609	82.60287074	41.0885817	68.12712272	96.0769103	37.93131749	24.76772636
1.80_288.9917m/z	288.9917295	1.801683333	neg													444.730605	606.0249396	432.1255951	299.6761789	448.8206203	321.6413651	327.0633709	1124.453329	1896.584876	541.5675437	328.7661123	907.1040435	257.846035	386.6440693	448.5580469	281.3919129	366.4006047	310.9074974	239.4238401
1.80_314.8802m/z	314.8802344	1.801683333	neg													3310.589654	3109.191763	3075.092799	3421.040686	3462.662814	3251.66913	3046.878103	2315.735518	2931.072729	3043.385368	3073.037226	2943.067988	3084.415861	3370.044078	3200.845741	3717.614383	3384.894231	3454.389621	3076.924388
1.81_139.9821m/z	139.9821196	1.807683333	pos													42478.98438	35520.4846	41068.44246	41384.94229	36924.2672	39378.22557	42707.55028	40223.04462	42084.17977	42552.117	42932.38307	37915.53572	40718.61511	43472.8519	46214.1619	43819.74275	44368.402	45518.93425	40460.05647
1.81_154.9776m/z	154.9775593	1.807683333	pos													2730.769523	3971.812286	3515.352736	2653.689126	2566.728578	2813.374337	2698.959328	8379.295621	7659.662265	2842.302507	2730.989107	7358.586533	3147.659598	2926.138105	3120.533826	3494.690566	2386.378359	2997.770642	2671.530053
1.81_171.0651m/z	171.0650596	1.807683333	pos													1117.320068	1712.914744	1620.13942	1604.491131	1060.881322	1429.425134	1222.021955	1425.503886	2192.754026	1436.205372	1579.750958	2264.173187	1039.011176	1103.528603	1562.446148	1301.166087	1029.045449	2167.885119	1896.914054
1.81_227.9952m/z	227.9951675	1.807683333	pos													1539.030961	1209.346783	1552.621737	780.1270317	774.9486011	879.2075799	805.6327328	2646.722186	4963.108939	1497.8653	808.5674076	2372.805587	865.4084871	1073.068	1264.022998	700.2485434	903.1043423	901.5168703	842.7672789
1.81_355.0695m/z	355.0695275	1.807683333	pos													19613.62995	20144.18981	19492.2845	18517.12816	18281.83553	19411.73313	19545.58576	19713.42227	18168.77691	18500.09479	20561.4399	21828.87966	20577.79277	21689.49865	20703.0272	21329.49205	19500.5669	19160.04369	17934.00364
1.82_183.0263m/z	183.0262848	1.822516667	neg													984.4988078	968.6298998	864.1765938	796.2127949	876.4839936	751.8453697	425.9122724	3126.549318	1728.534909	613.3511026	678.0388278	1546.688709	566.2504239	475.512251	667.2001352	677.6127517	703.4560342	968.2672375	559.4175369
1.82_199.9354m/z	199.9353514	1.822516667	neg													2971.915706	2936.141699	2785.070694	2688.208312	3088.519051	2808.082203	2926.15231	2970.894152	2649.273029	2895.029546	3219.186372	2774.055399	3114.470032	2961.652338	2949.939248	3194.447268	2884.655624	3239.241694	2821.230791
1.82_258.0850n	303.0833431	1.822516667	neg													2986.892499	3072.607579	3168.454882	3670.017343	2759.490887	2674.407097	2688.636763	2040.619918	2334.807192	1981.841656	2205.395322	5200.193888	3301.14708	3436.831112	4397.376467	3581.975784	3383.443921	3426.003676	4046.221238
1.82_264.9940m/z	264.9940335	1.822516667	neg													295.7875269	458.7237365	308.8694153	374.6085951	540.1723694	738.4130599	193.9652369	1103.411971	950.6109452	704.3758338	308.6206483	514.3223847	347.1537956	263.4821949	431.0956697	223.0854178	257.1948427	129.1904547	279.0142611
1.82_282.8794m/z	282.879393	1.822516667	neg													1203.906842	1069.920111	1140.525233	1215.544159	1270.284494	1286.139316	1275.033159	1143.542008	1270.590221	1232.206872	1340.155061	1069.583244	1107.84826	1152.547111	1191.78557	1176.94	1175.913332	1408.961818	1130.734836
1.82_336.8585m/z	336.8585414	1.822516667	neg													8209.161053	6510.181781	7076.167347	6829.863435	6665.949218	6991.61644	7348.304139	5942.320789	6773.598014	6899.888924	7203.650279	6743.156226	7069.619142	7679.436174	6672.059897	7329.699571	7342.774216	7818.836755	6807.937009
1.82_401.1120m/z	401.1120061	1.822516667	neg													864.6203369	898.4595277	704.4842377	765.4969604	789.1424951	666.2428441	898.1604071	1726.858386	1365.516988	685.9011221	766.7522934	1611.994076	608.9006725	836.2871123	606.6894201	664.6711512	704.0533084	752.7207342	692.3985984
1.82_450.1128m/z	450.1127665	1.822516667	neg													613.4419185	796.4891412	761.597844	602.5569307	992.1601982	664.9756397	835.3421545	1614.078808	1476.096066	663.7841455	630.428866	1529.94806	710.5558016	801.0150605	642.174011	606.4085273	495.5679566	613.0344811	626.6539642
1.82_454.8473m/z	454.8473291	1.822516667	neg													5616.454428	5375.30755	5636.696515	5754.379962	5954.038442	5549.738333	6176.625925	5520.44084	5910.364345	6002.149904	6512.667293	5009.853247	5848.686588	5632.624155	5931.448501	6032.81016	5913.36809	6224.306288	4680.676484
1.82_465.0600m/z	465.0599729	1.822516667	neg													955.1056352	988.0831594	767.053932	786.9078794	849.5952983	647.876104	930.8965414	1851.552246	1501.378399	591.992409	751.050886	1763.973466	719.4356702	824.4313533	624.4649116	1160.523813	655.7552416	704.5427853	748.0542335
1.82_501.8632m/z	501.8631533	1.822516667	neg													24750.16715	26008.6169	25566.52628	25294.79572	24719.46688	26125.33548	30198.7209	22214.23535	23436.87468	26745.17975	28724.05467	23164.79679	25627.49476	27260.0232	25061.38329	27163.61984	25743.95344	26641.1943	23864.40485
1.82_505.8602m/z	505.8601816	1.822516667	neg													9987.736245	9693.970717	10181.571	9958.076793	9837.264925	9303.367176	10988.73398	8452.107922	9247.31999	9897.170376	10146.69562	9400.083778	8966.846167	9982.916703	9276.525338	10503.62366	9818.160947	10261.33429	9315.224605
1.82_533.0476m/z	533.0475738	1.822516667	neg													885.0585463	670.078161	739.0442982	675.9563195	560.6882446	505.2335146	746.5347446	1272.003977	1383.768327	409.5227027	517.2660804	1799.886577	459.5881446	519.5164814	612.3444223	680.3475772	522.4231034	645.1660989	530.8863564
1.82_569.0978m/z	569.0977634	1.822516667	neg													2715.606769	2476.524551	1804.147577	2191.454331	2542.630652	1941.29694	2562.243833	3894.822308	4017.64385	1728.243527	2143.476087	3878.397352	1941.737344	2073.989543	1646.325695	1854.506509	2095.875594	1302.880183	2209.843705
1.82_569.8504m/z	569.8504324	1.822516667	neg													3054.461083	3523.875665	3259.553935	3429.161817	2973.804026	3322.76656	3404.728621	2606.004575	2995.866694	3483.006574	4400.144221	3251.707012	3083.009655	3401.373851	3812.05001	3256.171571	3444.360205	4018.508654	3438.255976
1.83_181.9775m/z	181.9775192	1.826466667	pos													3457.458966	3920.897823	3318.91352	3594.125485	3379.113759	3192.763442	3362.111202	3594.197339	3563.33824	4149.363972	4096.076934	4346.170193	4352.482428	3946.117035	3773.822047	3851.545714	3663.938518	3384.318559	3255.930859
1.83_276.1439m/z	276.1439463	1.826466667	pos													4113.706769	4175.991198	4440.355412	3677.540504	5015.86959	7538.525502	3631.906983	4257.109709	3042.701186	5086.09842	3690.7826	6429.603324	3356.114497	3415.052499	4260.952513	4481.002597	4147.07996	3663.639978	3281.32942
1.83_309.2033m/z	309.2033004	1.826466667	pos													24413.25575	23984.51519	23711.17878	23156.07962	21532.57973	24974.05084	23933.73036	21625.23204	23185.70074	24459.60035	24423.77447	24738.14388	21688.06398	23435.76176	21063.76072	24004.72763	23787.71952	24086.96455	21805.18785
1.84_170.0447m/z	170.0447295	1.8434	neg													358.8548329	247.3420782	293.6249575	367.0349135	285.043601	288.5403226	84.44726442	397.8882728	516.7747042	246.0330073	232.6666438	537.1743665	168.0481515	227.5292463	278.0284068	382.5032219	242.0042859	459.6931976	351.0063379
1.84_188.0918m/z	188.091789	1.8434	neg													367.4155125	329.3294135	409.2277658	499.1314664	490.8136618	666.3836131	442.6925899	377.8733113	354.4938013	683.055333	306.9825007	363.2644903	539.8475575	448.8487813	326.5520259	253.7324523	303.782727	329.6529125	442.6069289
1.84_197.0058m/z	197.0058405	1.8434	neg													746.5349258	862.3873232	875.1492128	685.5363241	941.162827	1454.618635	566.6364042	2344.14704	1305.284999	1404.05723	473.3527068	1044.151599	758.7951039	628.7682982	679.257906	480.2201137	633.3934511	695.6876408	644.1547555
1.84_334.9113m/z	334.9112846	1.8434	neg													13254.19403	13241.60703	13941.82628	13721.64309	13897.84167	13126.47627	13916.03178	12501.26412	13107.70951	13933.73169	14039.31365	13556.70387	13868.92573	14624.23095	14027.69922	14801.64599	14360.16126	14640.54647	13150.54512
1.84_507.2307m/z	507.2307104	1.8434	neg													1500.138963	1218.21662	1270.931031	1675.778349	1390.057037	1152.768572	1279.932886	1986.92487	2330.2137	631.1502741	1318.470469	1943.789532	878.8163179	1025.192532	1314.163189	1295.253176	1223.970591	1434.64939	1614.46049
1.84_588.8245m/z	588.8245119	1.8434	neg													11688.79682	11676.45249	12476.79769	12518.54639	11859.90556	11679.75859	13848.43887	12070.04308	12063.38815	13121.65728	13321.64289	10987.34219	12190.59923	12992.60102	12480.07243	13483.84414	13963.03703	13882.71171	11580.28109
1.85_183.9326m/z	183.9326368	1.8459	pos													36383.9561	36588.0087	37695.23969	37790.56264	34014.7628	34156.16595	37093.24318	34818.38663	36752.95297	37033.90193	36422.33334	36679.53394	37744.49686	37751.32638	39370.8696	40555.60704	38664.08695	38404.39114	37314.89709
1.85_216.9667m/z	216.9666755	1.8459	pos													3085.232752	3587.693514	2667.733101	3150.795507	3079.986686	3074.102824	2268.403757	2520.469992	2600.736293	2850.701585	3038.564466	3847.902782	2811.816079	2833.157482	2868.870037	3013.565869	2616.268561	2706.760709	2429.303657
1.85_369.1551m/z	369.1551125	1.8459	pos													2785.095991	2613.883029	2983.741394	2750.062793	2426.964997	2632.1607	2864.407052	4690.084064	3521.486183	2144.448343	2772.164102	4751.821612	2767.50529	2161.054547	2320.773262	2693.095811	2534.682661	2197.215418	2529.901035
1.86_155.9669m/z	155.9669479	1.8645	pos													152.4879148	272.8933698	203.787005	258.4975602	397.0237882	382.0851019	483.5876492	358.2980086	248.1428799	424.4367389	316.1235899	219.7350557	191.9332515	197.5954152	278.9000071	358.0480694	483.677086	437.0266428	384.9140682
1.86_241.2523m/z	241.2522664	1.8645	pos													3856.066422	3736.655772	3938.064164	3689.383897	3887.160208	3612.521843	3525.181572	3817.531977	3421.663188	4182.907925	4250.4925	3326.50215	3861.495036	3822.442704	4131.42748	3974.640958	3902.933595	4073.913981	3559.524363
1.86_304.8934m/z	304.8933711	1.8645	pos													27908.71004	26798.39975	28102.89108	30903.95119	27819.59757	28602.59609	28694.01846	22742.37992	24660.33684	28573.05781	29721.80931	28584.44143	28994.68103	28307.24966	28493.38828	32124.35197	29106.36902	29269.60159	25580.30531
1.86_638.2148m/z	638.2148407	1.8645	pos													26297.49894	21821.76992	25081.12511	26423.62368	26832.08491	27452.16164	27377.65186	27769.48293	28845.77715	25206.88646	27676.30936	22919.33798	22415.04643	25491.99469	26911.08829	26706.55751	20715.21926	29021.99992	26360.34212
1.87_190.0170m/z	190.0169888	1.865066667	neg													504.8753148	510.5881259	518.7789478	643.1915323	407.97358	525.7230525	355.0361986	938.0404112	852.3669018	393.3502984	437.0747066	1029.092994	377.0860206	317.4027196	510.9484888	406.6565752	441.4149703	659.7220084	529.080786
1.87_279.0112m/z	279.0112043	1.865066667	neg													318.910802	318.1142447	200.9887199	99.3453235	136.18009	290.4371886	106.5520362	1258.880648	1794.304032	143.0630961	0.000297236	763.1338865	123.8271031	0.000297236	169.1479058	100.7633173	144.7449205	45.7660981	179.3246728
1.87_332.9222m/z	332.9221694	1.865066667	neg													2037.34445	2106.997309	2054.004282	2025.56206	2031.340276	2191.179343	1597.516501	1814.965393	2084.777559	2250.013782	2110.26022	1856.905041	1919.838977	1927.338	2013.362794	1935.24585	1918.95502	2163.236955	2143.416663
1.87_333.1069m/z	333.1068915	1.865066667	neg													203.9126559	179.4490332	142.4413151	70.57225224	251.626051	240.3448669	354.8744596	0.000297236	119.0602689	328.4171463	212.1395452	46.04792361	232.9001892	185.3192888	230.5442553	181.0297304	177.136967	125.1296398	251.0058371
1.87_444.8369m/z	444.8368514	1.865066667	neg													10163.61272	9751.948437	9271.670391	9862.299564	8942.737492	9561.410615	10400.53391	8943.071953	9112.338488	10260.31122	10554.9018	9557.851584	10000.2541	10444.71254	10400.7261	10773.84435	9999.034743	10339.91953	8936.464954
1.87_507.8757m/z	507.8757076	1.865066667	neg													4590.991721	5635.493835	4634.963672	4486.193242	4933.659309	5504.598975	4583.241603	3931.752133	4075.736956	5258.99645	5230.819968	4309.810048	4575.702229	4920.535369	4744.238672	4809.126318	4578.530392	5288.566115	5045.119574
1.87_520.8368m/z	520.836823	1.865066667	neg													20726.10567	19709.58062	20785.02335	20299.44598	19942.80355	19396.58482	21149.65694	17528.51983	20348.07302	20402.72221	21175.6927	16744.61981	19897.46166	19764.54034	19644.57291	20914.37184	20398.42844	22786.47947	19200.87489
1.87_676.7960m/z	676.7960419	1.865066667	neg													9943.58393	9031.163449	9531.470837	8527.330745	8743.877607	8486.775047	10061.13966	7332.576505	8650.017644	8036.984717	9000.949817	7816.795832	9889.447873	9515.721492	9389.371062	9374.821041	9216.192396	9471.982585	8536.785422
1.88_118.9427m/z	118.94269	1.883166667	pos													2403.804198	1979.751182	1978.147988	2054.378982	1898.920955	2003.55443	2043.09426	2031.130904	1930.8706	1880.742018	1787.427762	2201.680376	2076.26106	2279.684596	2226.348241	2186.976195	2683.108392	2140.852919	1993.373656
1.88_184.9608m/z	184.9607545	1.883166667	pos													813.7157348	739.4665903	688.0808764	812.4514989	768.5917751	738.5590455	763.8337716	652.2327611	622.5885794	691.3621979	415.6280851	517.1771088	791.4204247	847.6222974	942.3072167	752.2836834	1006.265959	1054.12046	825.2005967
1.88_227.2367m/z	227.2367421	1.883166667	pos													21547.82892	19498.60581	20097.64008	20621.69216	20344.43111	19188.45661	20473.49308	20167.00111	21137.58493	21955.6314	21361.54596	19620.40232	20217.97305	19677.31817	20332.87255	22422.76608	19067.43781	20836.55893	18444.57901
1.89_251.0145m/z	251.0144655	1.886633333	neg													314.9742553	281.4809044	322.6744726	295.0473961	387.0952195	282.5635003	157.2875668	1013.136856	278.5623804	213.4567766	224.379407	368.1733315	239.1019381	233.2904108	223.0116384	261.414291	173.6143439	323.4788473	259.2439869
1.89_314.8865n	295.8686798	1.886633333	neg													3824.866168	4397.898387	4066.300663	4115.449866	4031.285849	3751.888181	4071.462301	3426.532747	3958.102916	4006.214346	4546.142102	3454.689756	4136.561345	3981.585599	3856.54497	3744.946593	4087.933394	4193.623413	3880.64808
1.89_403.0708m/z	403.070765	1.886633333	neg													1282.435616	1531.650494	1572.6241	1467.990299	1554.512889	1417.126121	1425.579744	1781.109323	1807.766475	1449.616447	1248.878309	1818.222556	1205.213202	1513.568664	1185.733773	1136.593283	1430.243173	1323.107991	1653.258075
1.89_471.8370m/z	471.8370293	1.886633333	neg													3965.061807	3707.475729	3952.908723	3787.98287	3271.284339	3517.161689	3743.580685	2582.149371	3520.485573	3152.378235	4028.591279	2990.260662	3597.922446	3833.918574	3386.125748	4026.990364	3283.004852	4051.148935	3042.57983
1.90_114.5252m/z	114.5252315	1.903316667	pos													1515.088934	907.19549	966.9457078	1104.870569	1083.696255	1075.737122	1193.00581	940.5265275	1058.573051	985.6651601	1103.186929	1023.523719	1271.349848	1062.985716	1085.667421	1265.479362	1183.030741	1131.891204	1101.936118
1.90_122.0194m/z	122.0193837	1.903316667	pos													2937.52109	2529.627951	2652.280016	2624.314306	2495.902347	2453.904919	2512.682328	2718.886743	2669.542834	2794.224287	2733.067749	2812.567395	2782.409464	2582.451632	2928.263006	2964.614795	2778.129093	2669.071426	2556.480229
1.90_147.1166m/z	147.1166044	1.903316667	pos													1814.892271	1553.750062	1880.394886	1543.887881	2144.978175	2011.453605	1836.725285	1344.365777	1525.786408	2058.624625	1315.796401	1285.024119	1826.036347	1640.591987	2033.106967	1627.249346	1846.783671	1522.673553	1763.232067
1.90_186.9924m/z	186.9923967	1.903316667	pos													2027.414132	1958.465657	1647.078499	1905.259464	1808.219146	1815.26306	1801.175772	1888.891092	2106.926161	2231.09584	2008.115197	2028.748327	1982.23038	1664.687801	1835.202017	1934.783407	1948.988073	1702.589023	1576.023782
1.90_212.0004m/z	212.0003689	1.903316667	pos													1267.604458	844.1162642	1086.949194	995.154174	1884.6055	589.3303661	878.2289222	3571.49188	834.3651293	790.4259773	659.0399752	1187.733922	1189.610217	999.6957748	763.8830429	1006.453427	1011.403003	744.3336286	801.6914842
1.91_125.0229m/z	125.0229238	1.90785	neg													595.6055314	741.6904718	690.2641458	517.8258409	595.8063844	516.4426271	449.317189	390.0215953	391.2485261	484.6332134	558.8455392	481.825079	503.8950693	507.0463593	551.791026	544.9438575	487.5376867	519.7722587	556.9033637
1.91_226.8007m/z	226.8007112	1.90785	neg													1404.129652	1536.664825	1594.500973	1670.068462	1699.868433	1510.021681	1719.651142	1110.371271	1340.973842	1699.819196	1550.946727	1415.129266	1594.422624	1631.464075	1577.703294	1775.759314	1703.858636	1812.888968	1594.475992
1.91_227.8808m/z	227.8808157	1.90785	neg													5394.996131	5537.308468	5661.914414	5876.843406	5712.630273	5659.224798	6295.713685	5958.150834	5416.830732	6279.292754	6524.948187	5390.838043	5820.965944	5386.347196	6022.578813	6285.818726	5643.950105	6055.994303	5107.453827
1.91_275.9060m/z	275.9060178	1.90785	neg													9156.085005	7784.983381	8992.057156	7531.611633	7977.646612	8107.721557	8572.332582	6456.264666	7492.456303	7598.961191	7880.188827	8009.428014	8243.260617	8871.009405	8087.977236	8330.865809	8763.781792	9675.519536	8491.81415
1.91_386.8594m/z	386.8593752	1.90785	neg													25046.58512	24229.29872	24453.42546	25195.80706	24326.61913	24117.44114	26818.5534	22516.36073	24688.86555	25493.54298	26577.19879	22718.72133	25390.62274	25573.40961	24294.98582	26403.89103	24809.68682	26332.58024	23305.46499
1.91_462.8050m/z	462.8050059	1.90785	neg													1807.988435	1288.097722	1510.033089	1590.114882	1525.488557	1562.199246	1264.897996	909.147018	1452.641783	1461.508139	1471.847869	1571.841594	1483.46577	1589.792229	1658.66354	1600.414173	1629.648641	1526.237956	1790.449562
1.91_481.8705m/z	481.8704578	1.90785	neg													2012.644581	2243.056143	1996.432385	1379.115788	1671.638807	1153.828118	1798.94476	1633.362565	1386.340951	2125.607818	2025.885017	1840.126251	1958.538557	1631.057253	1771.798654	2060.293135	1983.084785	1981.277257	1637.123078
1.91_608.8089m/z	608.8089091	1.90785	neg													32306.31095	30647.17264	29239.39858	31567.55327	29985.83991	29740.48619	32763.90299	25418.85846	27740.46623	28851.22821	32974.27494	27046.83022	31712.60706	32310.25085	30118.04382	33033.20159	30463.07558	31106.53943	26131.983
1.92_116.1152m/z	116.1151832	1.924716667	pos													160.7484443	135.3995711	158.7924891	171.6221481	204.8335557	156.2559937	112.5204564	64.60350923	87.40301203	186.8081758	127.1556737	183.6225634	89.72757096	99.33200107	94.37184662	79.81384803	116.16782	69.83363432	99.98365665
1.92_174.9533m/z	174.9532738	1.924716667	pos													15516.46674	16697.48517	16430.08876	16468.0816	16012.53037	16038.08728	15904.71761	15251.32794	15382.34946	16251.75063	16530.34462	16851.2896	16990.1959	17675.0402	17098.59322	18872.46293	16941.35892	17012.10035	15260.13948
1.92_255.2680m/z	255.2679662	1.924716667	pos													6871.404021	5944.083611	5944.872484	6770.896788	5551.390118	6493.894511	6544.378595	6893.787628	6484.913318	6800.695116	6813.614672	5961.446029	6337.221212	6796.118976	6763.644968	6954.197666	6900.136073	6514.616176	6071.674634
1.93_246.9445m/z	246.944482	1.929083333	neg													1314.273894	1174.191241	1221.540215	1258.022035	1217.151617	1304.73372	1165.489955	1065.569384	1336.320608	1235.327632	1283.875787	1327.623189	1308.269599	1215.815184	1268.697225	1175.160823	1199.302131	1213.671302	1356.911343
1.93_264.9143m/z	264.9142526	1.929083333	neg													834.2272631	847.6527629	700.4409904	725.3301777	628.5119383	670.3766183	605.8451977	456.8547728	537.0129481	775.993082	705.2150233	714.5801496	702.5260739	649.7944274	716.4123321	905.3145394	777.987477	899.3579834	866.1065225
1.93_347.0861m/z	347.0861481	1.929083333	neg													1051.92381	865.530421	1047.384153	538.8543088	1305.821383	712.2631324	1609.102792	859.3493162	399.2470871	1026.022462	1026.04178	292.7359672	989.9038602	1244.887878	1067.905877	1072.433023	1038.190202	523.823505	1054.355587
1.93_376.8517m/z	376.8516755	1.929083333	neg													4304.069984	2727.068086	3378.689023	3027.760278	3433.879526	3161.132314	3274.109349	2489.506666	3082.773759	3035.642297	3070.432042	3035.573381	3620.412458	3694.694262	3496.092729	3289.386377	3854.359623	3641.396307	3337.882734
1.94_115.9679m/z	115.9678718	1.94375	pos													426.8897263	353.4021948	339.697912	365.6936668	355.1414447	291.4464332	402.0131776	374.116273	359.079207	402.5377779	421.6505869	324.3350047	298.7199721	526.2873534	488.1779796	589.6722042	407.8043663	381.464813	368.3277298
1.94_299.0616m/z	299.0615709	1.94375	pos													3480.19565	3631.839844	3163.406607	3837.287597	4105.167555	3344.798532	3884.870099	4235.503456	3339.986657	3627.60138	3839.280633	3787.125829	4074.428107	3922.980075	3162.51124	4136.250763	3777.20692	3480.364894	3596.216724
1.94_507.2163m/z	507.2163159	1.94375	pos													2597.801589	2026.995044	1655.847122	886.6208599	2030.441935	1929.186082	809.9290238	2766.507437	3692.667678	974.5511213	2780.868522	4514.809312	1844.940549	785.6088641	2671.462964	1582.909044	1117.907332	3125.347146	3076.728527
1.95_214.0712m/z	214.0712467	1.949816667	neg													261.4859712	303.748033	284.0111635	136.9857515	466.899245	461.4245966	71.0747296	874.8094408	753.7515631	470.7997917	97.69701612	358.3552616	109.0259731	110.5900006	171.6430748	163.0753433	208.8131275	248.3980288	154.8624381
1.95_236.0891n	235.0818113	1.949816667	neg													68401.05368	69380.65088	70509.929	5843.228263	17876.16436	9334.976532	7305.741729	884072.6208	142280.3069	4830.629107	6442.225456	25516.42434	8144.015113	8424.195954	3651.807656	5221.004172	5991.695878	7575.301384	8038.153806
1.95_295.0377m/z	295.037746	1.949816667	neg													625.0725823	579.3564837	462.4733601	0.000297236	46.27434882	80.37581992	0.000297236	7003.978558	1174.310514	120.0537475	43.54081175	79.42843789	108.5848429	30.23162974	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
1.95_320.0597m/z	320.0597344	1.949816667	neg													2522.546517	2664.089413	2354.210183	259.9890604	637.3632245	343.4704427	323.4825927	30185.55286	4970.874319	181.4324123	250.6974452	1078.530429	284.2279567	479.4468008	217.6328687	242.1726394	229.0452019	285.8759643	358.5003668
1.95_361.0283m/z	361.0283	1.949816667	neg													1158.0848	1018.864281	1081.474833	0.000297236	193.1988979	57.9884751	0.000297236	12211.04601	2820.281134	0.000297236	0.000297236	338.7087669	55.80540988	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
1.95_470.9816m/z	470.9816399	1.949816667	neg													1779.228659	2061.281161	1941.421116	0.000297236	340.9052056	85.91404632	112.5305334	21754.08085	4356.800043	0.000297236	109.0904872	552.5753184	0.000297236	215.1169963	0.000297236	0.000297236	0.000297236	97.79351491	252.9394206
1.95_575.0194m/z	575.0193896	1.949816667	neg													2096.191947	2670.501855	2038.580864	0.000297236	559.3789467	288.8455036	0.000297236	21434.87904	5471.104929	0.000297236	0.000297236	636.7549247	102.5536824	142.0326242	0.000297236	0.000297236	0.000297236	114.0493778	279.2916795
1.96_113.9606m/z	113.9606259	1.9633	pos													705.9517852	648.1122658	522.8101624	588.8558982	474.0892097	446.1394667	429.4223945	614.5627628	586.155413	662.0211857	760.4231391	751.5394921	542.9086822	639.0697695	657.1514351	764.2593925	778.037544	708.2432199	445.9219613
1.96_199.9275m/z	199.9275346	1.9633	pos													3052.676785	3331.719608	2759.171923	2712.965279	2762.437637	2732.624978	2849.01414	2404.301969	2467.143167	2731.901335	2933.208694	3250.627664	2920.115049	3050.109512	2949.144546	3180.651559	3187.637313	2931.350668	2960.624343
1.96_236.0895n	259.0787079	1.9633	pos													32821.32867	37824.22312	33499.15678	2270.020399	8208.558186	4054.372278	2703.054313	405926.5597	71997.74983	2211.108046	2608.068776	13438.10739	3902.325899	4197.595065	1565.766803	2071.607327	2666.933133	2649.919383	3289.908042
1.96_332.0424m/z	332.0424356	1.9633	pos													7949.368766	8077.82425	7554.183844	574.0015806	1805.052416	815.4437368	628.8807729	84926.61044	16232.58515	319.1705573	578.7021934	3067.786706	548.6879254	552.9069677	470.0983473	262.4005493	476.4049365	556.9347034	869.1615134
1.96_336.0136m/z	336.0136246	1.9633	pos													1077.80341	1693.72072	1579.786051	125.7194629	412.3842684	0.000297236	0.000297236	18547.48482	1159.590245	0.000297236	0.000297236	786.0873892	141.0233468	145.8752612	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
1.96_336.0142n	337.0214472	1.9633	pos													10623.60173	10443.27301	9610.48893	689.3549637	2086.207256	1250.363439	687.2951791	105156.0261	21794.31097	151.313684	676.7350446	3961.262133	714.5269611	1141.541299	276.88703	434.4150279	565.3551641	839.419959	1201.699945
1.97_121.9425m/z	121.9425416	1.971233333	neg													538.3759991	549.1783333	579.874649	571.0428338	582.5643647	591.5587065	587.3825697	496.5697401	618.6632352	609.5667993	622.7017097	513.9867362	533.6719697	524.3167377	580.1912441	600.2877058	574.147351	614.6226787	687.058175
1.97_147.0649m/z	147.0649276	1.971233333	neg													648.1446939	645.9582588	639.7955438	443.2020152	1085.23815	707.8645858	475.6671712	986.7818495	1109.863637	730.0863194	350.1706696	1147.177447	879.9577163	757.2990233	522.5349109	323.3186423	571.5793648	566.7677671	525.2606887
1.97_289.8904m/z	289.8903572	1.971233333	neg													4956.814232	5461.300639	5105.796163	4947.014711	4932.619041	4981.724605	4954.099319	4488.456513	4635.414649	5059.374232	5303.501559	4890.754263	4812.686897	4965.885712	5429.3042	5206.23074	5058.694379	5256.849515	4534.917403
1.97_332.9221m/z	332.9220504	1.971233333	neg													2089.476	1711.258237	1862.931701	1494.93457	2104.823419	1777.712944	2542.285942	1266.459044	1487.949646	1856.740695	1708.998113	1468.635918	2097.922152	1842.520711	1600.529043	1836.704484	2272.092749	2218.127335	2013.462654
1.97_341.8899m/z	341.8899384	1.971233333	neg													7274.082211	7847.892232	7465.037898	7426.363447	6992.946931	7425.624113	7822.588256	6685.954312	6899.452511	7478.133539	7722.997094	6841.354676	7134.937072	7682.672327	7284.666444	7844.843711	7425.793703	8777.544672	7173.28784
1.97_388.1725m/z	388.172544	1.971233333	neg													1304.823953	1327.97323	1271.224825	1032.115111	2621.897133	1333.871311	1444.71232	804.5645554	593.5767877	1973.584361	1280.393716	394.8975863	1102.172468	1487.644143	1601.443375	1361.070158	1275.787193	997.3754995	1988.274623
1.97_480.8707m/z	480.87072	1.971233333	neg													2052.761532	2023.860815	2347.997484	2744.901486	2248.820349	2324.203217	2622.968836	1469.266911	2445.512444	2500.545634	2693.0952	2426.792296	1581.739108	1908.475639	3328.179265	2762.485068	2414.013292	3174.990914	2641.686772
1.98_135.9453m/z	135.9453208	1.98295	pos													1827.321096	2751.489465	2514.178588	2318.537275	2250.498179	2324.019815	2394.096814	2474.567726	1987.256063	2550.533353	2323.477131	2453.570541	2717.689058	2771.964367	2727.509464	2859.913834	2384.219007	2469.256707	2165.675687
1.98_211.9405m/z	211.9404815	1.98295	pos													1900.917486	1631.127092	1497.579605	2050.521927	1955.194865	1680.065915	1601.588978	1541.350788	1717.277316	1994.277962	1534.300571	1846.728254	2031.987039	1589.783793	1632.542838	2283.777315	2322.612416	1850.116856	1751.940272
1.98_212.6228m/z	212.6227782	1.98295	pos													899.1015001	967.4381457	1199.725661	989.3896993	1469.176849	1358.664263	1457.147176	571.2046815	624.3368233	1436.933848	1326.265797	373.7188985	1432.526344	1253.866209	1072.275692	763.6053876	931.1149475	937.8676882	1260.125917
1.98_390.1867m/z	390.1866555	1.98295	pos													7794.009357	9012.296858	8253.205547	6837.234798	14285.66084	8088.957059	10068.32171	4989.270313	4285.504888	10855.70376	7891.913975	4086.193987	8794.411455	9227.24228	11101.37209	8163.454011	8956.256022	7254.551973	11141.91353
1.99_177.0215m/z	177.0215428	1.9918	neg													740.3367747	808.8621283	792.9639056	694.2229069	846.1830687	507.9819816	910.3980945	1228.851195	1118.221979	544.6441077	570.1757907	1073.137694	699.6223829	582.874327	583.0508038	522.8719223	668.0193962	596.7156049	687.9527066
10.00_173.0219m/z	173.021931	9.9998	neg													2152.164705	1986.978197	1868.822281	2029.615084	1863.335658	2023.231157	2072.921316	2036.866667	1995.197506	2064.327964	1930.876304	2230.870474	2060.610337	2082.856018	2128.736278	2176.731264	2157.994943	2340.383948	2002.944488
10.00_315.0073m/z	315.0073263	9.9998	neg													2734.217121	3203.587787	3089.465303	2794.571529	3196.287988	3000.096542	3719.008001	2916.441978	3308.966924	3344.936127	3689.995503	3107.016918	3183.832142	3078.519262	3167.879067	3327.122156	2873.530009	3275.76605	3049.941745
10.00_360.0256m/z	360.0256397	9.9998	neg													725.6468081	523.502288	710.1259689	827.1807327	428.3684789	721.6583931	745.0468167	858.7902234	722.7051889	791.443036	784.9666956	613.1021882	540.5121302	562.0686014	887.2745431	422.7711768	917.2775992	886.6812786	287.8940279
10.00_377.0224m/z	377.0223516	9.9998	neg													8500.26579	8264.607153	8181.289411	8500.754117	9638.973219	8821.576247	8670.878833	10033.28249	9436.694702	9171.69954	9364.21622	9058.326358	8578.18421	8277.764838	9243.26491	10104.33019	8169.535651	8382.837613	8744.772853
10.00_393.0163m/z	393.0163038	9.9998	neg													8247.34653	7306.864886	7034.404539	7559.167818	7380.584646	7641.116665	7383.985441	7312.110901	6836.606287	7489.871916	8685.094227	8157.716367	7181.338741	7230.321215	8052.787237	8042.557163	7038.834678	8226.885568	6558.198888
10.00_439.0201m/z	439.0201039	9.9998	neg													34563.06826	33848.63788	34427.11211	33620.15379	34517.38651	33253.77452	35368.51637	36181.488	33559.39842	35892.38802	37637.91898	36544.89473	34252.59685	34642.37425	35743.40772	36653.75801	35958.24227	36076.82649	34263.19282
10.00_483.3188m/z	483.3187654	9.9998	neg													5115.97808	4993.161367	5611.922586	5403.265478	4144.144374	4927.266679	5346.709342	5510.475221	5908.125041	3665.090786	5537.446139	8968.758301	5339.154606	5716.856298	5996.536888	5340.157593	6389.532433	6758.099495	6046.573184
10.00_502.0424n	547.0205083	9.9998	neg													37901.77933	37967.64585	33577.77184	39235.06344	38593.58722	38490.35619	41406.17881	37760.8395	38121.62433	38835.82715	43197.57379	35966.1775	39492.67477	36784.90817	38916.35006	39918.1815	33975.20734	40177.11705	38119.81198
10.00_600.8536m/z	600.853609	9.9998	neg													35243.75065	35546.65417	33481.66186	36808.81213	35398.83787	36201.70281	37376.97428	37468.32896	37750.9062	38481.28124	41768.47068	36354.92951	36889.50258	37653.24184	37000.95966	39664.60028	34078.84585	39893.56736	34816.03558
10.01_485.3326m/z	485.3326088	10.0055	pos													5463.738114	6070.730067	5363.648951	6233.032452	4496.781243	4953.226602	4789.255472	5558.75417	5111.511536	3864.472267	4562.167059	9578.485791	6206.096531	6086.683005	6806.445903	5233.085707	7079.0114	6510.07277	6281.925473
10.02_374.9891m/z	374.9890965	10.02045	neg													1396.491132	1571.844489	1518.044497	1405.760315	1334.193524	1551.096007	1602.827633	1589.09485	1691.397932	1610.109744	1743.25618	1607.323125	1436.354488	1487.521532	1294.678619	1998.619101	1409.469872	1903.423214	1268.014067
10.02_410.2678m/z	410.2678377	10.02045	neg													5280.613949	4126.033886	4517.414158	5726.546454	4930.236077	4144.738424	6679.773889	2254.749311	5381.462594	4026.256462	6503.346371	6007.036766	8234.844518	8880.871048	3622.732689	4068.745747	3902.205478	3876.700738	7640.859715
10.02_416.9978m/z	416.9978097	10.02045	neg													2421.311081	2856.34893	2714.815663	2966.580234	2842.071343	2959.315048	2819.331229	2654.791478	2855.418444	2746.747175	3091.735794	3146.828367	2771.10586	2714.786981	2706.341591	3602.473058	2677.952623	3604.394516	2337.531165
10.02_432.9922m/z	432.9922185	10.02045	neg													11137.5979	9577.624466	9875.713797	10671.62769	10404.83712	11395.96074	11276.01727	9338.135827	12009.64521	12031.60692	11319.38816	10998.83257	8901.063165	10537.62932	10218.15926	10646.8643	10342.3086	10667.92963	9854.008182
10.03_256.5820m/z	256.5820298	10.02715	pos													1262.285194	1743.011911	1900.429798	1037.976143	1535.707559	1129.953093	893.8940905	969.0293524	543.2258917	820.6620449	933.5156851	950.1489377	935.2804895	1123.722661	1098.909806	812.7831081	987.4805434	1581.541488	1131.509911
10.03_295.2507n	318.2397917	10.02715	pos													74148.36291	75413.81203	71133.31055	43116.57605	139481.1048	25456.59308	193379.9653	170416.7377	41670.61249	142857.6039	49449.55564	35163.20806	112369.994	122549.3433	32173.44167	23622.04335	38819.05231	37390.3881	61284.61856
10.03_732.4433m/z	732.4433189	10.02715	pos													5241.943655	7354.462375	6960.463243	1958.391403	10921.91698	1555.779242	13385.37701	10764.73008	2183.85733	7993.94223	1334.598635	1565.469939	7360.260789	8971.785006	1304.032449	494.4286331	2038.248242	2705.241949	4585.125178
10.04_398.8862m/z	398.8861797	10.04158333	neg													24512.94379	25670.09949	23949.7034	25275.12792	26943.62068	25824.9385	26717.92765	27413.15262	26874.56761	27959.70982	29783.7629	24471.03905	25651.44485	25947.34232	26030.24789	26690.27125	24396.08997	24876.91762	25294.98515
10.04_427.0014m/z	427.0014066	10.04158333	neg													5610.75629	6041.000475	5783.049043	5771.458759	5520.126609	6100.912154	6055.416948	5721.441002	5687.510015	6129.634297	6447.209929	6497.974561	5432.907203	5868.031568	5345.993013	6120.190778	4916.027618	6114.616454	5908.262181
10.04_433.0675m/z	433.0675069	10.04158333	neg													1104.122658	895.2534293	794.8988342	745.3544661	866.5801711	493.6668098	1085.910565	754.7075402	803.1862879	929.350279	870.3667314	1311.271037	1358.896586	918.1333294	1110.541029	1156.45797	1092.467712	1159.326646	921.3375753
10.04_479.0142m/z	479.014157	10.04158333	neg													20309.47725	21298.67584	19677.61625	19106.54545	22601.45129	21929.15871	22613.99116	21876.92909	23791.80535	23460.08248	23813.20941	19302.1283	19985.24663	19421.03628	20556.54631	21290.9312	19314.9882	22829.9805	20763.79385
10.04_519.0256m/z	519.025597	10.04158333	neg													105440.9824	100924.7207	101682.2261	104010.8801	105518.2788	104927.237	105615.942	102083.8199	105995.585	106265.8228	110248.0675	98955.78044	102523.7938	98989.46461	102848.4678	106551.6111	101163.9775	104259.9221	98248.53026
10.04_526.3381n	525.3307367	10.04158333	neg													3850.239047	4977.989764	3900.350574	2542.999825	3387.603894	2911.65865	3199.227471	749.4884735	448.030797	2792.06894	2850.792155	2209.90423	3971.676524	3817.449346	3397.19909	3255.998265	3200.034826	2742.907075	3331.916282
10.04_533.0058m/z	533.0057933	10.04158333	neg													5347.643204	5714.679594	5575.241141	5965.609927	5686.00369	6582.617999	6076.822517	6451.54523	6797.819909	5981.680721	6772.565414	6421.502501	4947.835571	5358.93441	5518.272881	6418.336078	4947.76132	6215.425324	5235.829001
10.04_537.0170m/z	537.0169914	10.04158333	neg													121663.0416	116687.7156	116581.8297	119806.1903	122448.2866	120376.1441	123846.4652	120835.4358	118980.4264	124010.1601	129201.9994	115518.5945	119167.5557	113995.2859	121176.8615	126925.1963	119434.1524	123814.0223	118514.7191
10.04_575.3080m/z	575.308035	10.04158333	neg													1256.69999	1463.035042	1563.735619	709.8040817	839.1474685	1044.244565	1229.015669	333.4124698	162.7137635	993.823881	1035.523713	588.3988869	926.3541919	1081.467416	1004.321342	629.8747107	732.1821259	940.8231267	1292.7402
10.05_277.0954m/z	277.0953918	10.04785	pos													4387.983317	3938.174981	4053.778231	3189.631006	4130.690489	2472.147629	2680.199224	2748.099209	2829.286477	3217.053978	2558.165174	3132.669606	3176.847628	2135.874456	3394.058569	2352.262981	2991.47293	3924.69183	3085.367049
10.05_277.5970m/z	277.5969601	10.04785	pos													813.2473523	800.1701204	928.9636803	793.2341176	851.4348543	500.8794715	655.3966726	610.7066725	727.7077962	566.258959	245.5282904	619.725106	491.4742434	502.135906	819.9313314	606.054974	585.8226176	756.5818026	596.5866943
10.05_416.2097n	439.1989818	10.04785	pos													43912.24843	41596.80809	46116.12212	32949.94427	40419.85662	31056.38611	29695.75384	28757.09301	30639.86355	29031.54392	29056.17881	29815.56627	32669.97859	28601.45523	32019.15278	30793.01438	28911.35035	41911.41208	29174.58708
10.05_509.3346m/z	509.3345867	10.04785	pos													16944.7427	14619.78054	16910.76541	12655.08161	17586.71222	15276.22889	14403.2639	5615.298955	4711.338339	15239.75238	12630.13044	10751.48639	15411.74942	13978.13565	16148.9225	15635.69599	12520.32108	12382.44331	14667.47555
10.05_544.2664m/z	544.2664291	10.04785	pos													7594.376513	8933.540412	10014.86359	12797.9457	10741.56543	8825.373681	8886.986985	2110.646897	2073.388204	12304.01329	11181.25537	2215.864012	14047.03474	14808.22005	9513.382595	8891.025158	8588.792012	11376.94064	19926.30654
10.05_583.2542m/z	583.2541502	10.04785	pos													3896.478441	3174.14442	4989.309105	2090.67723	4653.414865	5850.319322	1180.059556	4521.838284	7052.163122	2987.733714	1680.96847	10743.89497	1503.262605	275.0251951	2520.770346	2484.026735	1384.469745	4101.737763	6841.594748
10.05_828.4069n	851.3961321	10.04785	pos													69689.3394	58038.80838	73172.61693	34111.59182	52961.31157	30568.96158	26142.29214	26405.44527	30443.1069	25951.04948	22948.40451	37383.36279	28296.85519	22369.37945	29201.2464	26656.71117	24565.25792	51768.6091	28639.09884
10.06_353.1792m/z	353.1792136	10.06331667	neg													1626.231511	1601.966438	1532.948247	1592.340484	1909.440652	1870.317935	1881.713548	1366.575942	1505.181438	1657.268108	1663.156751	1747.770137	1344.664544	1462.630997	1795.575002	1348.602201	1533.043927	1741.749755	1096.612806
10.06_419.0130m/z	419.0129516	10.06331667	neg													27867.43612	29015.1924	26052.29449	28461.18792	28092.47379	28354.48243	29911.76982	29547.08822	28665.65453	30223.70453	32136.78711	29403.57842	27379.51347	26619.3731	29021.86271	30159.38511	27147.46342	29895.7788	27306.71966
10.06_454.0253n	499.0198328	10.06331667	neg													147459.005	145052.337	140640.7852	145465.2116	147014.6978	144366.0955	148028.303	150193.311	148554.1874	150366.4387	152963.7701	139668.374	144545.5899	143175.0834	144657.9629	153685.0407	145934.7269	150638.0205	137563.429
10.06_467.0137m/z	467.0137036	10.06331667	neg													63815.12943	64586.48927	61263.24987	65045.24618	67032.10553	65195.71081	69064.42596	66359.01013	66841.01907	67611.3762	70549.1977	62390.05235	63821.28007	63595.76841	65202.33121	70202.07089	62609.73891	68800.89206	62021.1745
10.06_483.1590m/z	483.1589538	10.06331667	neg													1399.711773	1304.063764	1337.969475	2917.587746	925.8565777	2559.063754	810.3938904	1608.781735	419.6836754	1271.317721	1546.133693	1240.881007	997.4147827	1079.655678	1593.430054	1410.329148	2323.033484	2995.917083	1782.578297
10.06_523.0025m/z	523.0025203	10.06331667	neg													93530.99237	92390.57549	89717.60084	93210.50576	92497.98204	92423.82461	94767.27503	92736.14693	97352.43129	98107.69037	100156.7298	88196.30484	95501.97779	88595.8112	95535.73903	97570.94444	91200.89798	94753.226	91225.90935
10.06_686.3313m/z	686.3312688	10.06331667	neg													5706.431161	5467.747442	5769.226226	8410.969712	7690.638364	6181.642059	5644.131126	2179.942703	4067.744764	5393.545127	6828.213386	5743.014632	9465.870659	8918.767736	7520.38283	8035.765786	5588.092152	8049.438511	8965.482718
10.08_226.8006m/z	226.8005982	10.08475	neg													1072.494084	885.2803442	932.3609687	1000.568146	844.4426662	915.571113	975.9929908	940.2631075	874.8306656	1295.772189	863.7976321	1183.576919	1058.803277	1117.922616	950.1951396	1106.786415	1049.689709	1377.124763	980.077783
10.08_404.9977m/z	404.9977486	10.08475	neg													5369.187672	5504.097806	5084.440772	5255.979145	5272.239746	5591.794391	5561.684633	6518.832042	5498.530457	6306.987839	6104.902879	5668.967474	5376.317009	5325.615426	5803.43295	5802.207786	5453.67703	6116.509986	5273.637861
10.08_438.3000m/z	438.3000129	10.08475	neg													1675.522833	1662.535091	1363.072433	2241.487329	1613.33429	1621.626248	2013.310007	1372.463828	2001.899994	1243.661314	1742.197865	1868.29909	3119.712541	2708.700368	1546.463887	1471.387251	1625.496577	1645.97597	2654.700116
10.08_488.2915m/z	488.2914503	10.08475	neg													2908.043628	2439.8801	2429.879721	3258.966367	3740.112988	3011.474396	3904.921398	1768.151168	3363.626964	2072.471291	3198.706172	3172.184903	4194.812594	4237.201187	2387.510294	2471.120334	2242.514998	2593.475504	4196.934154
10.08_497.0240m/z	497.0239621	10.08475	neg													7412.03726	7511.613525	6615.311718	6745.097341	7566.880444	7501.903637	7949.912876	7629.918122	8170.569109	8830.653199	8391.923061	7992.884264	6858.541831	7604.301771	7912.617798	8082.532097	7705.992573	9189.553989	6317.181424
10.08_501.3289m/z	501.3288685	10.08475	neg													673.7908141	595.178086	584.9127128	672.6820727	607.0972162	644.482699	1001.427858	333.6782815	693.4651699	486.8406833	601.6976116	921.7168811	813.8934757	1027.876902	515.1672503	477.1995543	418.8025923	564.7598096	740.2028442
10.08_515.3100m/z	515.3100124	10.08475	neg													1722.623273	1633.432058	1631.020502	1947.790376	1931.006798	1646.190602	2119.653551	925.9094473	2320.056159	1231.441669	1602.392082	2409.290806	2508.378212	2635.082163	1758.834308	1067.620259	1241.075421	1595.61651	2248.43533
10.08_533.0412m/z	533.0411592	10.08475	neg													26425.69135	26925.32065	24163.19465	24108.21137	27358.46503	28950.61967	26969.01601	26862.2462	27175.2702	28360.11972	29818.28516	25925.10741	27176.83706	25119.2546	27276.08609	26817.07255	26216.61938	27623.98095	25271.31143
10.08_545.0057m/z	545.0056653	10.08475	neg													3848.341564	3640.549621	3185.689586	3888.177309	4092.987398	4132.688591	4062.46887	3644.070011	4182.187827	3815.083717	4142.925422	3640.058106	3522.99997	3739.488637	3874.400671	3820.113225	3832.152283	5055.237109	3680.897857
10.08_586.2379m/z	586.2378735	10.08475	neg													378.2286409	416.7856634	502.0279541	334.1657702	2139.884226	551.1980635	229.723478	354.4885853	411.0722343	897.1952059	255.8970917	543.7345494	1373.760535	1128.582839	513.9047663	552.4888316	395.1751544	527.9395332	420.8554287
10.08_634.2951m/z	634.2951284	10.08475	neg													7723.210376	6827.263505	6342.034231	8709.151576	8585.552712	7242.248304	9360.641191	5973.222895	9071.459891	6542.819087	8502.523294	8213.193161	11052.05477	12502.11253	6362.40238	6684.902893	6642.870175	6669.182009	10793.42284
10.08_702.2825m/z	702.2825439	10.08475	neg													3137.410298	2493.9254	2186.168076	3149.383503	3479.830664	2364.47963	3938.50815	2087.690765	3493.679738	2035.892254	3164.935654	2851.747	3783.494823	4850.712089	2583.107012	2535.576469	2346.061231	2361.109383	4385.202927
10.09_276.1409m/z	276.140905	10.08928333	pos													4190.954492	3650.396905	3928.375231	5510.718702	4283.463918	3592.662319	4704.936072	3073.442918	5158.188331	3509.810597	4437.948643	4793.794872	5308.968806	5632.136364	4372.168767	3409.958189	3286.973216	3487.611347	5310.464149
10.09_276.6426m/z	276.6425708	10.08928333	pos													474.7753096	662.4690175	620.349678	813.8608319	894.8917088	608.5280904	669.0569424	526.3190816	1129.008347	619.0603867	551.3824813	694.2795873	1288.79724	1195.533158	560.0536164	597.6185564	366.4476049	719.1950104	1349.792542
10.09_296.6541m/z	296.6540859	10.08928333	pos													1196.61894	1412.3635	1296.382056	1769.014805	1444.8987	1065.541534	1378.575298	718.8104153	1620.982842	1052.169695	1572.27775	1544.190798	1915.315642	1997.896306	1229.408388	1197.093959	1232.55474	1189.919207	2055.879156
10.11_148.9377m/z	148.9376799	10.10533333	neg													3425.879702	3619.319429	3376.472267	3632.171346	3668.427146	3609.676631	3811.023245	3733.401642	3759.594669	3849.282457	4020.380834	3357.206695	3568.391164	3292.383797	3533.671456	3632.340279	3296.831087	3528.100355	3309.113103
10.11_305.0029m/z	305.0029066	10.10533333	neg													2104.144384	1841.910568	1759.694011	1859.285727	1725.166999	1989.413294	1652.620568	1836.406329	1949.310469	2479.772946	1917.937662	1779.917493	1832.112767	1685.997934	1640.003343	1628.28016	1838.620016	2271.854437	1554.486529
10.11_324.1792m/z	324.1792163	10.10533333	neg													4165.162454	3286.723211	3698.253929	2965.731314	3728.543389	3216.477971	3417.672136	4165.02255	3620.94558	4012.033496	3556.850836	4136.592653	3579.475999	3649.936461	3831.327601	3760.137552	4139.59335	3858.455138	3163.643063
10.11_354.9315m/z	354.9314741	10.11088333	pos													60460.36528	62686.44351	60601.86131	61729.33082	58226.15202	59596.06727	58334.59505	58666.67935	58244.48719	58110.31345	61732.65373	65640.24962	62631.11325	64074.5509	65780.39189	64373.582	63402.20263	64171.74492	58595.77876
10.11_394.9949m/z	394.9949253	10.10533333	neg													10756.91009	11196.70555	11106.74903	9898.342906	10872.6746	11939.90255	11919.00902	11187.6923	12210.27221	11588.0951	12324.28775	10520.41912	11065.20735	10128.52577	11204.83521	11738.08944	11549.88008	11133.96591	10492.75781
10.11_398.2659m/z	398.265917	10.10533333	neg													9494.430978	9948.2217	9516.631202	8285.363725	8584.266118	10375.48736	12679.83377	6966.785517	4895.117112	10501.85988	11845.38498	6272.959531	10213.33628	10713.32239	9719.416373	9409.008524	10149.65286	10521.25143	14718.12682
10.11_445.0112m/z	445.0111634	10.10533333	neg													22876.56008	23494.29616	22362.3565	23646.69083	24200.90169	24633.14442	25244.42225	25927.40974	25980.54254	26807.79378	26455.94449	24946.40038	22525.60911	23940.04132	25270.11775	24969.11207	23246.98828	24974.02905	22848.8965
10.11_464.9983m/z	464.9982979	10.10533333	neg													17842.67136	17981.43731	18332.99181	17721.60714	17970.92166	17031.6666	19202.21124	17685.98162	18811.70888	17640.16467	21307.18452	17168.88113	16049.20162	17380.39045	17396.88121	17812.39888	16593.05638	17371.84075	16732.42439
10.11_531.0248m/z	531.02477	10.10533333	neg													79897.71313	76426.22446	73206.6969	76267.934	77532.61232	77970.87629	79862.21418	75504.18523	78256.79046	78071.79869	82047.12389	74652.27767	77658.28932	74481.23908	77090.46195	76973.80714	79058.30499	77223.69804	75207.03515
10.13_262.9116m/z	262.9115708	10.12653333	neg													21459.1376	22494.67727	21391.24	22313.65219	23096.74217	22091.9072	23794.60022	23216.29833	23489.72217	23732.92151	24921.14445	21094.07498	22080.79888	21779.24801	22337.82032	22975.00755	20991.22672	23026.25075	21700.9745
10.13_330.8991m/z	330.8991165	10.12653333	neg													21088.16556	22191.72733	21770.68091	22739.80201	24407.07778	22855.9758	23755.54648	23952.81331	24355.63702	24839.81112	25451.55998	21972.00093	22431.62434	22265.14211	22234.55189	22945.3622	21963.26392	22646.5856	22008.3926
10.13_346.9936m/z	346.9936316	10.12653333	neg													2265.720207	2370.800591	2102.973062	2263.314575	2131.200893	2116.688306	2280.617816	1933.10029	2221.971617	2577.802103	2407.047665	2049.663735	2264.85525	1984.34213	2011.091512	2350.999518	1923.449504	2699.325198	1640.075256
10.13_364.0139n	409.0104959	10.12653333	neg													6158.441776	5214.749167	5089.046043	5206.29578	5059.68898	4858.051768	5080.313449	5119.413347	4749.315483	6105.753363	5338.087181	4739.619685	4521.427186	4545.847639	4148.998886	4423.687832	5186.696806	5689.813891	4420.658944
10.13_371.3153m/z	371.3152538	10.13265	pos													12978.97716	14410.33432	12070.11948	12885.32126	11965.37642	11718.00651	11692.53707	12399.91504	12719.88933	13577.4654	13676.62597	14613.98354	14901.60494	14481.91189	17327.73023	11655.39389	13615.67209	11301.90918	10869.84859
10.13_412.0155n	457.0102294	10.12653333	neg													34290.79172	32662.16065	33147.50097	32671.48112	34131.18909	36899.72162	38787.26677	34401.13832	34432.80188	37792.76887	38366.58922	34669.44541	32161.39472	33562.86069	34029.57278	35675.86407	33490.26486	35056.86189	31599.04945
10.13_413.0045m/z	413.0045027	10.12653333	neg													23339.4631	24805.5674	22444.32641	25384.94221	24043.01874	24898.39157	25489.09193	25905.20428	26104.80818	26736.76055	27363.47811	22960.31126	24412.27547	24065.94233	24348.80978	26187.37532	23962.21104	23342.81667	24586.25692
10.13_427.3777m/z	427.3776795	10.13265	pos													6420.33001	4976.07202	5174.304494	5185.063042	5310.482544	5585.564677	5451.914189	4233.390329	6223.494287	4804.25044	5194.21371	5770.325862	4475.896846	3863.954194	7362.992998	4032.216186	4989.518573	6049.39782	5960.093714
10.13_430.9954m/z	430.9953927	10.12653333	neg													12793.97605	13079.59789	12871.62381	13672.36572	14298.25544	12541.65019	14418.51526	12224.98287	15349.73426	14239.78267	14556.0443	13039.4586	12060.82567	12071.539	13491.22859	13348.09992	12404.94733	13332.63256	13894.84418
10.13_513.0349m/z	513.0349277	10.12653333	neg													25395.48437	25447.74315	24195.76947	25771.80781	25442.14758	25997.94	28370.96929	25080.54124	27950.73775	26912.89492	27779.73698	25692.16984	24599.76883	24276.8768	25249.997	27346.89143	24097.29516	25086.60524	24007.13567
10.13_513.3292m/z	513.3291916	10.12653333	neg													2687.475549	2809.695508	2502.349547	3690.485948	2466.253066	2579.526069	1969.410817	2647.126273	2344.708217	2324.503761	2415.396625	3535.594893	1540.841968	1525.606951	3547.829097	3040.778929	3112.187152	3837.217348	2659.350065
10.13_608.3214m/z	608.321398	10.12653333	neg													850.5060499	1044.095506	1284.623749	993.8752437	903.2880872	1366.612112	733.8158665	894.9753669	1033.111971	956.0273283	827.8385009	2217.832157	1602.568453	1295.605667	1651.795965	1192.644969	1071.465749	1268.540257	735.8190553
10.13_781.2055m/z	781.2054775	10.13265	pos													7345.4827	8017.125055	6599.277923	6531.809116	9983.196391	4248.232756	4021.908398	2483.804265	761.2975079	2881.785812	4314.608736	3350.495014	6297.642334	5385.035528	3568.07034	5969.817669	3972.994989	5141.871016	4521.399526
10.15_141.0544m/z	141.0543994	10.15356667	pos													2562.904564	2417.407198	2348.086198	2441.07464	2335.303819	2479.929441	2590.924738	2805.354223	2391.177733	2519.192989	2552.312301	2454.682281	2512.027484	2571.650216	2802.819784	2398.162817	2577.227694	2490.972741	2410.870178
10.15_316.2574m/z	316.2573642	10.14771667	neg													550.1164783	418.2884783	448.7993112	398.3306924	390.2386529	420.5776154	187.5322643	481.3692394	423.3857353	372.836651	348.7898575	635.86935	469.3369106	400.9095322	565.1976686	378.5982565	258.650322	522.5138771	319.6501185
10.15_372.9906m/z	372.9906426	10.14771667	neg													18960.23896	19439.39741	18793.45148	19054.50114	20217.66809	18698.70519	20452.34974	19821.62154	19885.68224	19560.02508	21161.60024	19128.48977	19130.97265	18356.15147	19874.1728	19573.11022	17951.87216	19529.51039	19417.96257
10.15_383.2419m/z	383.241851	10.14771667	neg													205.5652903	240.0544342	252.1257553	253.6648872	140.3345494	248.8279204	162.7876577	250.7836471	261.4665252	298.4500906	210.0946243	613.6111456	174.7062481	309.371848	262.0564237	222.2234804	212.4278629	326.5261917	82.28229712
10.15_427.0187m/z	427.0187032	10.14771667	neg													2758.934901	2504.855438	2323.150292	2532.749448	2568.419232	2570.306212	2833.642299	2598.113197	1846.412225	2927.33571	2592.829817	2113.266584	1627.356411	1925.145205	2227.120812	2696.372611	2450.842289	2406.923494	2707.384705
10.15_512.0295n	493.0116886	10.14771667	neg													57352.23002	57244.79017	50798.53372	54760.94213	57740.81896	58231.04755	62593.33787	55533.83557	59269.74171	59424.80066	63262.50324	54846.7992	54346.47853	54942.47472	58762.566	56568.02619	54793.91351	58038.17161	55584.98664
10.15_542.3467m/z	542.3467171	10.14771667	neg													1291.912276	1382.316074	1209.570061	1653.489544	1602.61072	2095.320826	1310.648699	2757.372335	2073.049287	1614.156439	1822.442024	1780.667018	1674.03029	1510.200867	1302.61904	1282.394831	967.4807801	1016.375992	1623.109305
10.15_543.0217m/z	543.0217278	10.14771667	neg													13445.65477	13471.93704	11763.67548	11835.1314	13455.83229	12229.72286	12657.08907	12634.39398	13200.20042	13661.36168	13709.12768	11617.98077	12256.14756	11102.18862	11734.4448	13641.52714	12241.42978	14863.47371	12567.10134
10.15_676.3103m/z	676.3102556	10.14771667	neg													2797.062269	3419.628084	3140.600467	4089.23326	3835.292964	9396.195976	2193.440023	2789.415387	4049.079008	3920.155204	2740.838937	3413.643564	3929.905745	2937.817347	2583.803922	2962.531056	1766.046558	2861.470099	1920.183243
10.15_780.9548m/z	780.9547615	10.15356667	pos													6027.615572	7543.722709	5053.521028	8226.447213	12827.80934	3491.078332	4547.058195	866.5603497	612.2868839	2905.699961	2504.055985	2656.769592	5132.322183	5963.69587	5734.418328	2802.29908	2859.347679	5302.266068	3468.810229
10.17_264.9343m/z	264.9342977	10.16935	neg													955.1310766	899.5281592	977.7329597	1050.938303	900.7963007	949.2730905	961.3420639	967.9017363	942.4865978	1340.302388	977.9114349	998.8203711	884.8744796	851.9007761	941.5713987	927.5947153	903.0978506	1009.537712	769.36904
10.17_357.0153m/z	357.015277	10.16935	neg													2737.597784	2387.475285	2584.117619	2749.750881	1921.43341	2438.251865	2884.173786	2978.062043	2749.611368	2866.087638	2934.047716	2918.252942	2255.921028	2531.628922	2462.27481	2662.705353	2889.249439	3018.05622	2826.066498
10.17_421.0113m/z	421.0113096	10.16935	neg													6440.055058	6488.502198	6182.308414	6893.373825	5384.214906	5904.779308	6885.259133	6279.583878	5888.82265	6890.278558	7410.848205	5932.314709	6074.247227	5507.510151	5480.151573	5669.679204	6280.955106	5437.955098	5661.353603
10.17_551.0320m/z	551.031977	10.16935	neg													88748.51222	84649.66052	85682.58366	89370.94427	88087.58485	85490.41269	88794.43224	89814.33036	88692.40273	88495.74657	94378.64989	86085.65754	86057.69487	83706.93944	89956.70808	93276.56758	89254.34877	92219.48857	87311.4659
10.18_780.7040m/z	780.7039888	10.17525	pos													3427.197917	2926.80662	2236.544769	3904.46045	10218.64894	5186.294778	2802.268032	0.000297236	0.000297236	3060.038282	1835.899008	2694.010797	1194.210906	3282.480252	1704.447176	3240.587908	2310.056918	1246.28649	766.937048
10.19_244.9848m/z	244.9848007	10.19105	neg													1371.156658	1361.609357	1144.338097	1307.525259	1245.090843	1086.082884	1398.543749	1202.406828	1205.033552	1524.89305	1477.913535	1226.953044	1185.887603	1241.02374	1368.249436	1290.007807	1310.552918	1435.177413	1359.311194
10.19_336.9932m/z	336.993161	10.19105	neg													1079.153044	776.6579508	751.4840787	729.8951546	580.5786764	863.1238436	899.4058324	651.8230634	599.526227	805.7754942	642.0222162	656.8684761	825.0728489	660.2441945	844.9821135	749.8431129	821.5956402	755.298612	728.6832062
10.19_376.9852m/z	376.9852444	10.19105	neg													2892.747749	2832.558933	2950.756926	2961.421977	2286.198328	2480.562704	2177.271335	3050.16164	2377.017218	3667.276518	2973.435743	2470.65652	2605.458181	2543.927636	2759.06445	2316.826692	2679.767945	2655.257601	2191.077998
10.19_416.9975m/z	416.9974637	10.19105	neg													5714.455372	5174.329234	4765.098588	5095.977721	5066.511213	5184.069124	4600.12441	4620.262708	5243.021163	6418.305788	5151.119111	4619.816913	4391.464398	4853.412577	5337.166399	4922.32716	5256.168723	4313.996446	4006.174279
10.19_454.9948m/z	454.9948204	10.19105	neg													3493.760425	2595.305769	3319.421554	2961.568426	3127.339762	2979.579191	3325.036928	3490.972092	3222.322212	3445.219768	3424.786773	2982.079129	3201.200652	2559.32486	3324.090836	3833.358497	2836.067274	3931.205509	3506.158188
10.19_470.9890m/z	470.9889666	10.19105	neg													4526.453336	5035.792557	3758.28036	3645.661977	4071.963584	3918.962596	4586.507231	4169.99546	4701.917197	4531.108284	3925.359067	4056.121765	3988.423918	3667.854483	4372.525171	4491.909777	3835.969891	3273.304209	3503.496057
10.19_485.0050m/z	485.0050083	10.19105	neg													56873.75993	55680.0244	55343.03062	58435.40642	56649.55373	60125.36972	58278.6236	59538.06588	58415.95388	59550.11161	60816.92368	54752.48301	56332.09219	55357.23322	58680.35532	60409.22856	58371.96542	61957.19972	55484.3352
10.19_527.0157m/z	527.0156616	10.19105	neg													29716.24337	26914.00487	27823.59268	25499.99092	26618.86261	28606.58934	25307.14558	26880.41321	25730.78896	26746.67576	30331.35791	27161.78828	25191.82772	27670.14236	26458.3209	29898.4236	25200.26518	25609.47953	23834.95866
10.19_535.3158m/z	535.3157567	10.19105	neg													937.3377452	888.5206576	978.7237557	938.7333914	899.9250327	1131.683118	805.1094574	145.8966226	0.000297236	1022.687539	932.6185025	359.7111013	1215.681962	970.5870932	1057.987453	1012.152146	1269.135225	691.8373089	963.0838911
10.19_565.0485m/z	565.0485272	10.19105	neg													23053.30473	21107.10463	20743.09606	24981.58065	23381.03769	24181.03249	23416.53443	24636.38154	23749.74034	23220.15526	22088.81419	23498.69769	22797.3929	20622.1203	21557.67489	25699.99808	23463.98485	23644.22597	23061.69771
10.19_572.9992m/z	572.9991711	10.19105	neg													4557.546581	5342.454992	4286.805144	3598.346138	4714.909326	4062.072345	4958.787333	4967.199041	4328.16074	4946.774638	5228.736459	5062.285031	5061.278883	3927.122086	5766.199242	4469.29089	4565.916653	4527.297616	3366.674268
10.19_746.5123m/z	746.5123206	10.19105	neg													2612.923718	2863.446482	2991.988876	3521.887216	3766.008491	5068.290039	377.8114307	4055.2319	4272.247079	5836.665696	4550.611283	4843.774853	0.000297236	569.5239384	1514.135917	5114.719922	5987.550036	5683.601222	2896.392096
10.21_204.9415m/z	204.9414593	10.21133333	neg													3396.707571	3747.588717	3857.596494	3620.573591	3996.096217	3854.955509	4606.163278	4394.4855	4193.549578	5046.780927	4459.917599	3457.361588	3365.613275	3264.476911	3767.914471	3932.272884	3655.06032	3962.494089	3473.608934
10.21_267.1435m/z	267.1434935	10.21133333	neg													53.50247727	61.05924409	62.12958189	56.84857051	0.000297236	0.000297236	0.000297236	50.6319443	48.46648406	53.50408484	48.46831679	43.47792533	0.000297236	0.000297236	0.000297236	0.000297236	64.54862327	63.18876915	0.000297236
10.21_442.2921m/z	442.2921336	10.21133333	neg													607.071357	912.9819966	699.5184515	1148.073847	580.8128523	581.7097801	617.6537529	755.370199	532.6676567	448.9041397	796.3296704	1242.366563	217.069369	463.0567704	976.657952	842.4814135	1035.927949	961.5373766	698.3326074
10.21_449.0042m/z	449.0041542	10.21133333	neg													8470.132602	10349.3765	9288.216688	9850.608582	9160.439905	9768.079214	7926.674798	9644.119555	10006.51624	10532.48225	10027.75292	8023.915765	7767.979214	8701.486004	8945.663274	9107.243412	9886.539896	8765.621862	7869.575007
10.21_501.2474m/z	501.247423	10.21133333	neg													511.7962208	767.1703436	604.8238907	571.4827505	682.3389975	935.295187	330.3839833	720.8677433	496.5847765	730.4976308	395.1493126	720.9701864	850.5423452	822.8918988	1063.434411	1270.24249	1043.64375	856.903608	527.247947
10.21_502.9955m/z	502.9954619	10.21133333	neg													2313.399606	2659.628687	3162.063079	3790.706567	3505.173377	3628.821027	2310.851715	2902.262315	3680.959814	2676.955358	2840.48563	2392.889089	3512.990561	3129.639349	3858.892071	2939.297399	3550.003623	2975.302569	2005.833351
10.21_516.3330m/z	516.3329802	10.21133333	neg													2663.805165	2035.218162	1959.648923	2414.393939	1862.669475	3683.581164	3413.280104	4356.003528	3792.504822	3013.702267	3543.677424	3632.370215	1961.653521	1554.093272	1813.677157	2110.800471	2548.203139	2953.542409	2376.750449
10.21_517.0120m/z	517.0119676	10.21133333	neg													74616.2947	72442.9199	73505.57222	76073.22753	77198.77514	75784.61073	74614.90586	75153.52972	78721.14411	78143.04074	81495.10402	72742.04883	73690.04492	74451.63756	76287.68864	77859.18715	75633.00876	76715.97124	70369.30905
10.21_555.0086m/z	555.0086397	10.21133333	neg													66800.99102	59905.88782	60809.86282	59618.37956	61244.97786	65232.07564	61935.83275	59791.32819	61484.9316	64193.18602	66570.82119	59631.83914	64999.93184	61729.66228	63875.37563	65966.35232	61928.83268	63071.41422	60896.77983
10.21_565.0121m/z	565.0121317	10.21133333	neg													12254.37669	11934.41565	9309.571778	11861.62898	11151.22867	11924.5014	12983.51112	12258.73982	11620.16166	12606.03233	13020.91383	12066.07473	9977.959952	10962.09867	11220.13479	12288.24728	11348.81195	13996.44859	11753.92565
10.21_963.5373m/z	963.5373077	10.21133333	neg													4675.347071	6825.27332	6502.332213	7238.579024	3025.96834	7010.06142	5933.724507	5394.220097	7054.683928	7900.168226	8228.532007	6857.262462	3900.072864	0.000297236	4895.968127	5911.267367	6581.804883	6197.386234	4927.291924
10.22_183.0096m/z	183.0096494	10.2175	pos													5215.950838	5437.456676	5153.073335	5446.442535	4540.304595	5252.64667	4944.370946	5215.191932	4849.996135	4993.822352	5118.161103	5416.829628	5915.249519	5859.269423	6149.788377	5156.654592	5673.755584	5550.192997	5167.338893
10.22_272.2400m/z	272.2399515	10.2175	pos													1227.443982	1901.796451	1242.113499	502.1768958	1954.457148	167.9710036	2146.559555	0.000297236	104.6957796	874.7134224	804.4112387	84.83709318	2371.096299	4908.095684	3352.981941	2401.014178	1849.617268	1186.769844	965.1393347
10.22_528.3652m/z	528.3652017	10.2175	pos													17006.02773	18063.83021	15249.98331	22751.56023	15754.7924	18019.64558	22703.8409	5426.491349	6846.287682	12506.94435	21746.36827	12469.37555	25062.00769	28140.29026	18856.72274	18109.57821	20901.24542	16772.05817	24311.21173
10.23_348.9923m/z	348.992343	10.23283333	neg													1140.330098	914.9894982	840.3429339	1006.5041	1190.062768	1209.81233	750.3766999	1342.355045	804.0554214	932.6742166	1220.229853	1039.937641	1232.909985	1134.3727	617.0325001	993.4412257	888.4750714	734.1095152	910.651572
10.23_536.3205m/z	536.3204687	10.23283333	neg													1266.312938	1407.67889	1451.785369	740.2281843	1161.478509	1536.890353	1325.880422	3046.864217	2068.120466	574.8646162	1244.82406	2411.70996	1266.674607	1560.764595	920.3751019	1304.300153	1383.358057	1002.00361	980.5614006
10.23_560.3200m/z	560.3199687	10.23283333	neg													2433.346104	2582.491126	2546.514008	2349.902942	2448.505501	5351.1191	2949.590788	5544.685612	5460.965619	4676.186014	3682.719519	4154.345773	2491.843605	2642.516051	1987.269858	2590.337349	2512.827163	2913.643834	2790.480951
10.23_613.2566m/z	613.2566316	10.23283333	neg													676.4794828	556.2440272	748.775547	433.2842842	912.6061708	660.7247037	804.8442683	697.9305436	824.7430191	852.9075004	648.1119754	1467.305009	919.7252827	797.1262317	813.9909885	760.6493513	887.1407219	545.4743813	1128.928879
10.23_680.2408m/z	680.2407742	10.23283333	neg													1777.529645	1175.384382	1690.663834	745.3038458	1645.743903	1484.894924	1450.476449	1422.392012	1968.706652	1218.841649	1961.030439	2735.862171	2708.546135	2041.897839	1777.089314	1512.613666	1613.695457	1195.795853	2235.341039
10.24_267.6094m/z	267.6093929	10.23813333	pos													1464.434434	1380.139644	1869.427613	1414.906008	2244.991819	1617.264691	1472.051617	1501.110927	2442.993327	1135.83886	1248.577462	2585.255434	2320.095959	1675.154074	1521.820522	1498.800558	2206.077831	2234.03419	2399.373703
10.24_426.3477m/z	426.3476828	10.23813333	pos													3407.30567	4141.770225	3978.836436	3795.901022	3487.848552	5038.249724	4575.008849	7982.916866	6949.852641	3402.547667	3884.017711	7745.963085	5375.00072	3645.293007	3314.177081	3451.289517	4113.503051	4198.638699	3208.633379
10.24_450.3480m/z	450.3479774	10.23813333	pos													10383.58881	11730.13794	9494.533783	10271.16267	10823.69715	17103.64897	9808.279708	17761.39126	17972.82652	12135.50636	9677.659327	16340.89874	10086.4462	9260.387586	10276.12582	8807.252117	10775.80292	10625.15891	9300.094177
10.25_1002.5709n	1001.563667	10.25406667	neg													52853.04877	43938.6771	56871.71163	75975.91771	82675.68675	77260.93694	68959.50344	22805.15738	31698.77413	54548.95545	58815.61778	44765.31162	92893.70176	74446.23187	84412.75075	73725.72028	79832.46429	75190.5384	96840.76083
10.25_1026.5704n	1025.56309	10.25406667	neg													36290.99974	33658.40245	40090.71572	56516.22554	54194.11933	61725.84567	51335.87683	8335.263124	14358.39641	41599.41782	42069.46373	17079.35763	77961.54086	59283.042	58312.71226	53165.15008	58904.28075	55382.51548	76048.79462
10.25_1049.5627m/z	1049.562737	10.25406667	neg													14299.983	9958.101027	13230.76819	21583.36319	19966.16438	22324.18974	16182.59727	444.9276098	1493.406309	16548.90574	13162.87163	5583.538393	28240.90532	22605.08976	21820.08792	16462.85188	18827.52355	20044.21665	33624.32496
10.25_315.0075m/z	315.0074721	10.25406667	neg													883.8303774	1076.511041	1059.191875	1162.863954	1206.599491	993.3933243	1046.466551	869.7806307	820.2597773	1178.029606	1240.260316	901.7468702	1219.226096	997.9643073	1141.508997	1082.779815	910.8078098	961.0929354	898.3124793
10.25_339.0074m/z	339.0074108	10.25406667	neg													2102.548298	1865.552154	2123.096202	1932.125697	1657.889603	1871.343356	2081.676151	2124.342976	2051.328517	1963.446001	2186.423852	1907.751652	1556.186125	1920.326986	2096.873598	2218.57751	2084.332416	1688.375742	1943.730573
10.25_558.2366m/z	558.2365952	10.25406667	neg													9859.022914	8611.274598	11242.52709	11338.01807	11297.26629	12259.1349	12880.9266	7294.412118	8237.119898	11405.72288	11033.60169	9561.654437	12329.24128	10867.09662	9911.823384	11775.45095	13649.00609	11417.08589	11608.18282
10.25_582.2372m/z	582.2371678	10.25406667	neg													4316.104981	3603.579722	3824.734851	5103.162769	5343.808438	6501.074533	4817.610298	741.0290478	1671.894248	5096.260421	3783.379284	2483.676363	6013.451779	5350.203602	5432.697723	5107.902914	4881.925562	5499.557766	6320.488413
10.25_587.2737m/z	587.2736768	10.25406667	neg													897.0308129	1296.899512	909.9456863	1862.97925	1769.872399	1573.653362	1506.731047	0.000297236	670.479457	1306.871466	1280.385969	746.9872433	2113.12224	1921.140623	1199.954201	2180.576065	1625.936486	1594.265021	1872.836851
10.25_592.2657m/z	592.2656966	10.25406667	neg													147856.1314	130578.2304	138778.0101	180040.3219	181439.399	185674.9261	160346.222	56706.00332	80495.64088	178969.9491	170899.6311	98086.32993	218322.8363	197749.8045	185862.4396	173107.8612	173874.6953	193140.5975	229263.4715
10.25_609.2563m/z	609.2562911	10.25406667	neg													2731.751379	2639.611429	3430.040904	3459.131222	3163.480693	4237.73283	3170.242853	187.2015621	1477.33114	2681.883541	3783.999101	1361.70427	4783.324101	4001.408701	3198.374266	3628.112949	4022.053202	3636.050446	4475.345007
10.25_624.2043m/z	624.2042589	10.25406667	neg													9308.55892	9098.639595	10429.89188	13348.09744	12786.07757	13173.86174	12966.01946	3431.716887	5043.427117	13641.97728	11656.90143	6769.139253	15953.28264	12470.36222	14209.72003	12755.59957	12841.54756	14556.90943	17059.73861
10.25_629.0239m/z	629.0239462	10.25406667	neg													19586.80844	17347.726	17063.17675	17924.7203	18361.2088	19874.57812	17106.10664	16836.17458	18202.9433	19627.14115	19939.68888	20224.17517	18079.83799	18763.00092	18214.49566	20151.28809	15807.53589	17935.60514	19391.29615
10.25_636.2536m/z	636.2536144	10.25406667	neg													76470.8895	71649.46064	76783.43507	87153.20532	88448.55383	83130.45465	86926.99878	58396.50684	68229.55509	80855.81265	81214.88943	73889.48852	91607.19895	91613.98698	90489.49628	88195.25292	99502.34227	89799.78181	89127.70742
10.25_660.2547m/z	660.2547342	10.25406667	neg													49677.15815	47686.49777	47816.30195	65579.30095	63714.17803	63331.09993	60926.80719	27565.39407	35169.26341	63056.56861	63573.94946	41667.58536	72536.22677	69128.29604	67045.64505	60848.9572	63997.03399	72517.23178	77011.90715
10.25_704.2407m/z	704.2407033	10.25406667	neg													29659.67475	29400.38961	32233.47838	32360.34014	34911.14963	31786.96653	38064.88733	23177.87382	27746.47368	31751.26597	32349.5307	28496.74481	35540.00532	37336.60405	37449.53977	37251.44672	38068.94886	34574.98282	37017.86298
10.25_728.2417m/z	728.2416875	10.25406667	neg													19129.6567	16805.46432	18095.82452	23601.753	20454.14493	21932.58054	20385.15539	7938.533196	11209.40152	21914.66383	21968.07743	14205.84787	27322.7713	25003.4918	23924.75498	22325.3028	23241.37629	25407.87357	28942.13873
10.25_772.2283m/z	772.2283081	10.25406667	neg													9749.577212	10394.50608	10483.67854	9893.548653	10918.93919	11390.66141	11154.3866	6266.362881	7839.892833	10674.45163	10189.46161	9185.748453	9470.820176	11724.15925	10462.27669	12119.93524	12570.05236	11774.67071	10970.95679
10.25_796.2277m/z	796.2277288	10.25406667	neg													4102.824142	5307.582857	5413.421893	6007.943452	6683.839985	7234.197973	7013.638208	980.2762672	3302.659394	6220.200282	5701.451499	3259.17112	6418.790856	6886.739011	7276.96257	6431.883353	5991.022611	5825.154238	7561.187653
10.25_840.2153m/z	840.2153401	10.25406667	neg													6086.965555	5967.25403	6788.294891	6267.549314	7260.28436	5987.314721	7515.571742	4920.154738	4055.597259	5705.021217	5602.428506	4328.896652	6307.507079	6823.810248	7690.069663	6043.996625	7050.741581	5652.85874	6722.649269
10.25_864.2152m/z	864.2152405	10.25406667	neg													2964.237816	4026.642745	3889.26856	7043.36302	7335.469466	5194.666274	4918.180893	1505.591252	1207.768703	4830.281229	5833.010763	2237.758456	5352.550398	4272.384436	6161.50371	7885.281762	4914.013515	7792.043152	8167.077746
10.26_1026.5688n	1027.57607	10.25731667	pos													61364.37991	63012.73821	61778.93871	87163.12148	88390.8021	98305.09078	69381.7042	13875.90068	16169.57026	64718.04166	61164.92809	30315.21991	125321.2033	95339.8717	99557.59742	81891.62994	84064.10248	89730.92281	124080.6922
10.26_157.9937m/z	157.9936509	10.25731667	pos													3354.434201	4559.906635	4096.224245	4218.241702	3741.635763	3999.186662	4214.199324	4106.460002	3950.095774	4035.711812	4128.998038	4401.022236	4342.062101	4428.445593	4025.899002	4432.947386	4342.064261	4377.051926	4159.971604
10.26_282.6226m/z	282.6226243	10.25731667	pos													2044.733684	1441.050713	1579.012634	1388.922426	1521.964512	2113.146047	1439.354411	661.2345341	537.2036995	1768.071644	1683.854618	1002.875082	2261.944436	2619.401728	2341.639294	2147.220065	1748.913048	1536.218018	2742.561632
10.26_291.6092m/z	291.6092179	10.25731667	pos													23350.98883	22681.94844	24506.17843	30253.0506	26703.10174	29005.85118	23857.03421	8253.367556	12220.95865	26218.48221	25641.69293	16821.11866	32583.83715	31895.16321	31905.88033	27689.27623	25996.69005	29267.38318	32796.46771
10.26_529.3006m/z	529.3005819	10.25731667	pos													6757.163815	8791.872802	8282.417733	9655.814101	9334.712353	9873.902004	7021.726488	2348.471919	3051.3914	7056.357134	7083.5252	4371.592912	13616.8303	9758.407288	11353.28827	8268.055598	9576.104175	9736.343381	12183.33476
10.26_547.2668n	548.2741017	10.25731667	pos													111774.2065	110620.9548	122458.0979	146844.8771	121960.5745	145810.1608	115075.411	41472.74069	52509.16938	116571.3395	115836.8256	68141.69925	179817.2332	142441.6007	150869.4592	130361.4784	128002.9079	132231.4231	171017.7839
10.26_582.2116m/z	582.2116448	10.25731667	pos													11319.26242	12267.79934	11975.55147	15352.16738	13427.17351	14374.03294	13491.4464	3578.69772	4375.550954	12143.75132	11832.72196	7046.50795	22172.11823	15208.2459	17718.7544	16038.49626	14908.53874	14931.5784	17199.92176
10.28_1003.5762m/z	1003.576226	10.27795	pos													65755.2166	68403.00119	70933.53102	88855.62993	91939.7468	101976.9711	83862.90506	28006.03962	43205.56829	57143.52678	60155.48384	55911.82836	125219.8324	102154.4009	104949.919	102801.2574	94517.59008	82010.94058	114735.9815
10.28_1020.6158n	1021.623043	10.27795	pos													18325.60901	19110.58627	18779.73568	17292.05565	25806.28242	22405.56323	20746.98934	14590.30316	22651.88887	14396.58438	10065.94935	26707.2291	33595.86703	21546.48878	33336.80913	25503.55327	29554.78871	18191.58189	30751.28961
10.28_1025.5580m/z	1025.557978	10.27795	pos													4803.828715	6630.296141	7464.248649	11007.26117	9317.975709	10856.65209	9930.177603	2381.24738	4417.604071	4973.607601	7421.555377	4630.697097	14675.49352	9849.018705	8282.106835	8438.592198	11281.02647	8740.228863	13517.83682
10.28_1043.6109m/z	1043.610882	10.2751	neg													14371.59997	12963.62818	14315.3806	17303.54255	22088.70634	19654.78459	16215.1192	7109.052388	13264.87379	14226.15863	13587.30414	12510.7117	21567.50682	17554.48707	22164.85975	13944.2303	25472.71947	14667.76586	27921.7634
10.28_1045.6223m/z	1045.622291	10.27795	pos													10154.08513	11833.64111	10236.5119	16543.97673	17599.16799	20397.10038	13060.81868	5903.263484	6497.590777	9282.414771	12851.38018	13004.59066	21469.23858	20417.59104	17834.43269	18937.00937	24948.67161	18283.33868	24825.66025
10.28_1067.6036m/z	1067.603618	10.27795	pos													1826.783122	1665.974175	1377.541443	5047.651256	8615.761472	7120.433919	6929.310792	1997.142436	2653.986188	3826.105035	3112.24615	6830.355444	12143.9087	6497.336024	9556.675224	6310.665755	11758.69611	6157.970568	11692.12293
10.28_1068.6152n	1069.622427	10.27795	pos													14584.04048	19230.47328	13886.75817	22617.52813	24853.4566	34228.59081	21317.57376	3140.75761	7319.413557	14165.46028	13363.78512	9644.140944	35838.86663	32650.49366	26328.86152	24388.34585	33698.15908	18478.57023	37094.39931
10.28_1086.6281n	1131.662853	10.2751	neg													36234.8805	29183.04563	35456.98981	51413.75747	51232.18957	51773.26566	48383.16408	25884.18669	39052.35346	38649.22742	37302.21238	54656.18526	61809.49228	54626.69456	63639.04594	57275.97137	74371.54868	59210.91808	62600.871
10.28_116.0337m/z	116.033749	10.2751	neg													8330.465723	9801.560891	9567.749773	9476.639149	9307.398855	9718.261456	10019.37953	9933.452285	10201.05358	10065.8967	10342.19489	8085.710178	8933.700376	8590.600246	9051.878451	9164.482406	9093.069746	9507.788638	9006.55666
10.28_120.0255m/z	120.0255078	10.27795	pos													6172.629748	8366.022252	6555.168047	6802.185661	6694.202369	7047.545847	6518.976461	5822.926769	6270.394394	6644.898501	6584.364637	8603.111521	8004.740362	7565.589901	7600.377121	7673.950299	7482.724002	7334.510104	6846.949141
10.28_279.6093m/z	279.6092569	10.27795	pos													40578.4706	39172.91489	45146.23893	47344.88468	44459.75469	47372.48065	43806.91697	28900.72388	33636.29755	40469.33822	40012.09771	37720.69833	52850.05218	49476.63252	52164.1797	52147.86985	48608.77539	45086.54345	49213.65047
10.28_287.6262n	288.6326411	10.27795	pos													11586.7683	11042.94396	11567.89603	12189.19712	12647.64714	13132.67527	12636.67192	15801.62869	17872.5856	9383.814567	10887.67145	18940.42994	15029.75951	11635.58111	13498.6222	12178.04921	14071.97783	11691.00745	14672.78824
10.28_404.9973m/z	404.9972524	10.2751	neg													2136.534641	2726.181414	2264.610229	2631.64342	1924.14514	2128.552165	2478.090848	2387.809949	2097.111035	2226.16254	2142.949811	2366.031789	2160.340926	2837.75881	2314.18489	1841.092484	2339.104894	2175.057883	1842.558247
10.28_505.3006m/z	505.3005808	10.27795	pos													11737.71991	11238.33623	12338.08108	13520.95647	13282.23439	16187.92499	12914.87305	8101.134502	8498.463691	12346.32174	12708.10481	8480.36551	19556.73254	15915.34206	16786.29843	14723.80982	15258.85575	14659.56871	17259.14694
10.28_519.3318n	520.3391139	10.27795	pos													1020948.783	1099478.68	1080002.239	957162.4211	1135601.776	1091293.92	1056923.285	1468759.178	1780959.123	727237.6905	821078.0655	1713737.028	1449914.239	1094796.34	1450178.259	1150741.64	1371603.508	1098544.562	1427225.073
10.28_526.3145m/z	526.3144894	10.2751	neg													14687.79453	13724.9974	14818.91959	16117.4332	16813.60525	17081.06898	18781.62716	14508.69855	15132.19901	15591.66738	16147.46974	18792.61097	14830.15596	13371.10022	19844.2337	16173.11875	19544.46629	19075.98393	13364.57425
10.28_554.3017m/z	554.3017065	10.2751	neg													6289.642979	4785.786557	5159.78719	4427.285337	5225.599696	4885.157521	6298.953942	8569.957447	9758.440137	3972.016449	4411.457996	8144.915131	6551.666142	4899.954448	5239.283307	5593.656362	7274.624496	4644.892637	6140.162207
10.28_558.2113m/z	558.2112948	10.27795	pos													18760.29823	18697.44919	22942.91191	24091.56436	22481.66265	23557.6822	22674.32411	14498.48469	14789.18709	20127.86485	19765.50363	17578.34315	30125.72452	25738.02645	24076.99028	28206.35214	24019.76808	23844.42998	24639.28051
10.28_563.2739m/z	563.2738546	10.2751	neg													3935.292222	3471.129413	4224.508718	3188.263408	3187.447289	3703.298547	3543.675911	2413.718097	2613.228673	3354.274455	3540.666314	2968.102357	4085.070456	4294.079718	3917.502218	4238.238943	4524.236804	3720.20093	3704.8541
10.28_567.3393m/z	567.3393441	10.2751	neg													2114.828261	2067.730099	2044.606169	2182.655444	2383.691235	1927.681026	1836.120934	3081.960387	3950.860238	1054.172098	1381.777155	3300.072956	2105.709203	1836.494472	2548.267016	1782.765241	2825.88659	2438.749484	2562.383153
10.28_581.3205m/z	581.3205082	10.2751	neg													3430.378435	2952.337849	3372.379512	2763.058995	4144.219452	2312.617612	2530.386805	5614.435976	5730.248631	2056.906043	1902.202682	5196.73575	3698.812628	2577.834381	3510.726892	4186.534561	4305.404301	3273.156479	3677.45503
10.28_610.3081m/z	610.308112	10.27795	pos													9682.306398	7845.673258	11278.83773	8441.119591	10279.66846	9277.10871	9244.47029	19079.53307	21009.957	7896.27835	7880.379327	14292.57962	9204.202097	8006.136055	14478.27507	11002.17563	11000.09192	11688.35965	13732.90815
10.28_626.2245m/z	626.224528	10.2751	neg													1906.215547	1768.164967	2760.956095	2076.184159	2191.724772	2329.084791	3038.547085	923.7018474	1398.249821	1696.974791	1675.241483	1656.662554	1300.872009	2350.178329	2690.071348	1801.800597	3223.568625	2082.219449	1480.970877
10.28_676.3099m/z	676.3099263	10.2751	neg													1920.891324	1667.048944	1446.761383	3874.119326	3231.45805	5395.868387	1944.854918	1862.532773	3608.161063	3311.356549	2375.77925	2111.239848	1769.229586	2108.928629	1977.174406	3194.212259	1049.367324	1174.415993	1248.807153
10.28_700.3067m/z	700.3067304	10.2751	neg													16365.42134	16231.86633	18972.72238	18965.60557	20924.87618	25332.02728	17721.53453	24672.82526	29736.97891	17386.42073	16559.19223	24568.7871	20216.19209	16433.37603	20085.47684	19223.95658	20549.48275	18788.9759	19084.05338
10.28_768.2929m/z	768.2929125	10.2751	neg													4536.303923	3854.138222	3210.075623	3046.251092	4124.96611	3436.316584	4291.792675	6273.90587	9179.997181	3396.615725	2560.677723	6778.259141	3812.136552	2537.403449	5737.73198	4428.181597	4868.894573	3280.863374	3662.513083
10.28_836.2808m/z	836.2807903	10.2751	neg													1095.464037	1317.98713	1032.1297	1216.664124	1080.680854	1469.918578	1017.735978	3433.314559	4286.812306	0.000297236	993.1847044	2978.789724	2034.781049	1297.755464	1347.532594	1064.829593	956.4206061	2330.304677	1682.677606
10.28_908.2028m/z	908.2027623	10.2751	neg													2880.137859	3162.517535	3237.904365	3830.589043	4051.948099	3592.894956	4985.193787	1792.284273	1603.873358	4487.916619	4258.574075	2119.935543	3858.400722	3593.570461	4892.627212	4051.146829	5140.576323	5199.420574	2526.580372
10.30_1085.6505m/z	1085.650491	10.29878333	pos													5606.923335	8292.100728	5708.879891	7430.565095	9590.751433	7887.190574	9224.753049	9288.356607	12700.60993	2405.967117	4610.388739	12499.05711	14275.95643	9974.797638	13326.88348	9114.772334	12484.43479	11973.00311	14472.97543
10.30_1086.6614n	1109.651594	10.29878333	pos													40812.90217	52732.56279	50881.76789	63841.7387	62408.63094	101739.4547	65924.01808	38464.9207	54864.63595	32710.57389	41127.65438	73891.40894	103265.4441	74568.34782	103496.5668	77501.42705	125514.1663	71530.50972	108939.1548
10.30_1107.6620m/z	1107.662004	10.29658333	neg													2725.426566	2593.094521	2435.946459	1720.840815	2969.132555	2751.243404	1000.731619	3932.530465	6520.029975	684.1226399	1480.017766	5171.159663	2955.172768	2180.265978	2863.318996	2709.522964	5582.408923	2669.052193	3434.244652
10.30_1133.6517m/z	1133.65173	10.29878333	pos													19839.88954	29957.06091	24616.06944	35749.09777	29157.83776	53129.51697	34152.03266	13887.46458	19175.84285	14566.77789	24945.31007	24791.33009	52449.06534	41273.62873	55425.76066	41947.55619	64183.10068	42191.86967	57991.44203
10.30_1155.6625m/z	1155.662499	10.29658333	neg													9883.696413	6192.436658	9857.91475	12127.32934	11070.00107	12377.60502	10447.9579	4893.846722	6355.095265	5673.084274	8019.774019	9001.141907	15132.81253	10817.34198	14719.7953	12673.81742	19069.1983	11615.55188	16886.61422
10.30_1157.6520m/z	1157.652045	10.29878333	pos													6366.227961	10287.02994	7917.069092	10904.70136	7819.545049	16260.34628	9364.491367	910.1456342	3763.71224	4731.416702	4520.440434	4861.281088	20714.92618	14685.03418	20454.00727	14515.49382	13930.35191	15454.25644	25641.00164
10.30_291.6463m/z	291.6462996	10.29878333	pos													1948.187833	1454.96217	2081.702102	2413.743659	2209.42431	3057.040996	2315.496426	2663.108812	2623.523814	1929.041699	1826.762532	2335.734628	1897.672585	2156.108496	2852.386848	2762.920621	3095.06705	2372.303825	2329.501602
10.30_299.6323m/z	299.6322993	10.29878333	pos													2555.319221	3644.385218	3779.583849	3670.48806	3156.780491	3056.286689	2617.327882	2647.70418	3012.101687	2107.229738	1828.195022	4182.359411	3936.833818	3928.090831	5791.251395	4731.424508	5295.38945	4747.300173	3554.569299
10.30_300.6327m/z	300.6326926	10.29878333	pos													40186.37665	38889.86212	42363.0353	44251.36663	44020.38889	45919.64262	40881.70369	40524.36981	46541.33047	38751.33403	39206.90769	51329.46429	43460.88908	43863.4672	53592.67767	52305.94618	55790.84968	52331.06157	48053.98398
10.30_312.6327m/z	312.6326725	10.29878333	pos													22467.43879	22331.36439	23965.02207	31121.23837	22160.04986	26702.67386	24353.40758	18157.0672	21067.00933	23745.59691	22673.63579	23806.45321	30897.68888	31000.67466	34331.52096	29083.52455	30446.6779	30358.94163	34054.32305
10.30_314.0857n	313.0783769	10.29658333	neg													7420.503169	8351.267149	6320.335754	6126.818678	5307.136391	6601.797556	6092.630258	5873.820781	6063.154877	6016.177503	6498.878906	5111.861207	5734.980722	5307.26728	5137.743219	6684.863513	5775.211588	5683.160656	6045.853255
10.30_336.9927m/z	336.9926883	10.29658333	neg													1796.061617	2231.292597	1396.430451	2035.829218	2447.966977	2199.966492	2077.503866	1921.696618	2190.841455	2096.522241	2496.466744	1897.645489	1842.836754	1364.958636	1336.409893	1814.828113	2334.127909	861.9898242	1648.468856
10.30_437.0039m/z	437.0038542	10.29658333	neg													33226.38742	35106.68347	32321.13119	33531.92391	33073.83295	32991.37191	35829.21104	34907.65974	35143.22905	37751.43575	36238.60834	35346.17701	33457.72021	33175.57131	34418.55051	36437.2575	33260.04498	35857.77526	33106.83662
10.30_447.0263m/z	447.0262571	10.29658333	neg													2628.074997	2112.483326	1911.588641	2416.36433	1655.994818	1024.573249	1793.339066	2175.758621	1467.509743	2156.468989	2087.98208	1531.252698	1661.837596	861.3659398	1435.150215	1664.264708	1788.526158	974.2958737	1514.793499
10.30_477.0157m/z	477.0157259	10.29658333	neg													40533.51692	38867.97365	40838.95527	39992.46414	39583.14738	39728.17218	42293.94625	41954.25648	40417.38258	44219.45986	42288.43529	38626.06088	39233.44473	41636.85677	38772.30243	43461.75929	40800.95876	43253.13103	38572.51942
10.30_528.0395n	509.0216913	10.29658333	neg													22354.0128	21440.03624	22414.56628	21695.93385	20440.67758	21882.07081	23257.96755	23323.54519	22169.2189	24852.62707	22786.06963	21203.94655	21520.62652	19335.93001	21632.52165	21447.44768	22002.87666	20025.68675	20639.67499
10.30_547.3482m/z	547.3482272	10.29878333	pos													9454.347865	11509.23943	10048.1819	9902.786384	9994.451076	15533.52762	11270.17421	9934.795075	10279.07901	9525.179126	8607.429585	10500.47645	11406.95362	14050.53592	16510.39385	12206.27867	17281.41789	12731.96914	13227.75034
10.30_566.8236m/z	566.8235502	10.29878333	pos													2167.439845	2028.59535	2689.452357	2280.489299	2617.649044	2859.029806	2046.138012	1518.641931	2557.840185	2298.316964	3206.65746	2269.84926	1668.913577	2185.312346	1878.876235	2984.808397	4021.322156	2906.184961	3699.491664
10.30_572.2980m/z	572.2980219	10.29878333	pos													2267.656905	2301.170745	3105.899414	3312.300588	3401.814426	4138.824876	5057.585182	2028.446446	3553.862892	3041.659046	2286.521012	4687.552874	5071.301833	4138.992644	5384.671818	4671.749572	6692.371556	3916.300659	4239.342197
10.30_572.8003m/z	572.8002944	10.29878333	pos													978.0773532	1437.122983	1155.321304	1504.666287	1315.326372	2201.749098	2028.024347	1587.125819	1102.358347	1057.196549	999.562578	1902.118052	1381.296283	1677.182033	2217.342108	2010.045263	2683.22804	2024.827322	1767.297971
10.30_578.3022m/z	578.3021736	10.29658333	neg													20065.63987	17942.04083	19878.44711	22850.23138	23039.99676	22041.17053	21237.5263	19834.73769	20875.53651	20794.6021	20249.50286	25865.02255	22938.01198	20803.62544	25428.10239	24142.8004	27020.64781	24736.58624	23723.788
10.30_578.3212m/z	578.3212312	10.29878333	pos													1298.534285	1831.873182	1762.872208	2431.117192	2092.161205	3854.140672	2598.212382	2203.455529	1690.38063	1978.12021	1309.640128	1497.921813	3049.079048	2794.96279	3953.28857	3449.042125	4572.880447	2391.411652	3493.88715
10.30_578.8232m/z	578.8232168	10.29878333	pos													1297.888098	957.5230634	718.5048828	1572.380354	972.2286328	1482.984608	1044.413895	1164.03002	980.4620719	1351.882907	1158.089484	1062.808905	1251.057632	1071.731489	2552.549412	1095.561454	2139.607662	2406.088645	1237.327638
10.30_598.0630n	597.0556841	10.29658333	neg													23779.83839	21002.61626	19427.89398	20677.34884	20785.34555	19850.16125	19879.41908	20147.19696	18950.0603	22928.64548	21696.96642	21412.03838	21402.21356	22043.37266	22673.51445	22048.06299	20882.15195	19138.99453	20616.69599
10.30_602.3021m/z	602.302148	10.29658333	neg													9838.476974	8286.139911	11489.9466	12614.79632	10291.06681	12704.06762	12954.63361	7926.564265	7371.042336	11025.77438	10518.06493	10449.87729	14577.28837	12635.69399	12997.06777	11338.75271	14633.54665	15395.69791	15619.15649
10.30_605.3212m/z	605.3212185	10.29658333	neg													10663.56195	10680.05643	10770.25906	12184.28978	14047.22882	12702.36803	13157.10186	10763.78631	12892.60542	10544.65824	11250.12973	14714.56439	12568.17024	12400.911	15332.82265	14705.25817	17250.24931	15300.27881	13713.36244
10.30_611.0321m/z	611.0321228	10.29658333	neg													6176.284055	5976.320829	5524.739322	6235.087853	4746.758311	5344.753363	6679.071337	5162.929828	5804.647551	7416.885028	7361.490188	5582.185365	5657.630597	5966.379739	5955.626108	5694.550508	6893.355526	5391.791141	5897.249306
10.30_634.3086m/z	634.3085622	10.29878333	pos													30038.78338	26393.62954	31379.86887	38027.40764	35635.76748	39399.27425	36448.68598	31342.85562	39209.74798	33801.30685	32861.16419	36613.2332	30972.5301	33332.0114	44812.3537	44061.11779	41071.21677	39836.44068	36139.92071
10.30_646.2895m/z	646.2894842	10.29658333	neg													3358.615002	4042.328372	3588.827685	4508.912547	4720.961462	3849.784042	2324.367792	2970.222907	3352.593775	2638.100889	3149.67009	3371.446348	3409.833974	3835.863826	5077.536331	3708.584311	6051.004263	3490.770954	3855.055921
10.30_656.3184m/z	656.3184443	10.29658333	neg													160233.9902	152884.6454	159173.4336	190685.7598	188057.6586	187341.007	177200.6171	160474.057	184000.2624	171247.9725	169851.9076	203925.1524	191682.3042	179500.6539	206227.2258	202598.9919	234370.2007	215055.3479	206013.032
10.30_658.3085m/z	658.3084673	10.29878333	pos													12332.79749	8939.535172	14223.65633	15236.48355	12860.62849	17867.51861	11829.31382	9175.666493	8958.306019	12116.70036	14348.40341	6069.98533	12848.04113	14037.95814	16085.76007	14780.88079	13704.03734	14569.90617	15277.36526
10.30_680.3178m/z	680.3178274	10.29658333	neg													83594.13723	70828.36114	79152.58839	110612.6771	94448.87383	103938.6899	99475.97346	79235.97449	73798.63811	95609.33934	92488.13493	88097.62703	111400.5454	111275.8685	111124.8639	102066.3684	117686.5944	111495.592	122443.2334
10.30_697.3080m/z	697.3079829	10.29658333	neg													847.3745565	956.5267743	673.1546381	1153.248614	941.8530872	617.6581319	1124.793891	768.4950705	1246.148227	1189.784033	1184.887769	0.000297236	1911.137402	1532.862408	922.3507917	1600.145318	1552.810247	1394.687886	398.2091305
10.30_697.4358m/z	697.4357616	10.29878333	pos													2406.439285	2816.755178	2684.895538	4130.565829	2845.541253	5586.846368	2393.663708	1849.202823	4243.732101	4230.878131	4495.642481	1226.10166	610.5700678	816.4299018	3927.157051	2428.949077	6285.245447	6133.951531	1850.897723
10.30_724.3059m/z	724.3058593	10.29658333	neg													43569.29787	40768.88774	43995.32123	48134.28035	51248.11336	50374.62362	48129.63194	45962.08582	51842.65289	48491.72897	47253.47333	55797.6091	49764.59058	49577.59381	56509.4035	53507.30387	63795.06114	59752.54113	47818.43231
10.30_748.3053m/z	748.3053258	10.29658333	neg													23203.96966	20525.22734	21252.90537	30006.30868	25657.50474	29525.0205	27276.61676	22061.23766	21021.39638	29382.97461	25028.74461	24969.62154	30497.4186	30552.82559	31571.49808	28091.93056	34028.74386	30740.94294	32920.05512
10.30_792.2931m/z	792.2930786	10.29658333	neg													15929.90724	15440.11216	15827.99734	19760.19181	18956.19288	20032.25205	18021.31478	18389.57671	20718.31046	16791.12827	19548.51987	22353.37865	20629.86153	20038.54515	20669.44386	20629.4551	25131.77992	21607.39156	18339.44368
10.30_860.2801m/z	860.2801389	10.29658333	neg													6460.562328	5801.467328	7237.560157	7780.860311	7928.531891	6227.516993	5348.23845	6063.882058	7530.118443	6458.103747	6600.970735	5176.455199	6576.194454	6599.756247	6451.768456	6539.506615	8282.837361	6552.606189	5393.83746
10.30_884.2803m/z	884.2803	10.29658333	neg													2150.998362	1304.918565	1835.124802	3280.326195	2014.284364	3488.018062	2045.360017	1442.634044	1041.046461	2955.805506	2632.451923	1651.717695	1566.807738	1981.198915	2275.707101	1814.657335	2244.368625	2537.836285	2681.828123
10.30_928.2678m/z	928.2677919	10.29658333	neg													2864.961215	3487.957693	3447.268503	2210.164323	4742.624998	2665.639333	2522.097566	3615.800716	3506.500554	3020.929733	2951.832423	2747.426469	2601.544323	4151.421787	2781.415852	3454.377359	3795.506262	2752.994032	2581.792263
10.32_227.1256m/z	227.1256014	10.31965	pos													1490.536827	1525.404589	2229.298952	2149.230682	1946.725848	2052.19681	2146.015398	2571.409076	2333.194047	2234.930073	2114.060044	2208.962412	1741.251222	2068.703595	2039.863726	2168.484736	1779.499125	2264.567675	1691.574493
10.32_383.2414m/z	383.2414498	10.31815	neg													2077.618662	1894.566565	1860.321182	1520.051789	1952.702362	1355.913108	1826.075083	1787.673049	1822.939773	1601.260483	1762.815161	1891.952474	2144.50708	1853.443232	1837.054913	1635.014778	1747.719031	1869.619415	1285.186932
10.32_432.9918m/z	432.9918029	10.31815	neg													3786.309743	3910.984495	4497.469387	4428.293716	4270.821517	4329.973182	4475.767678	4384.011612	4600.898842	4754.488125	4460.21781	3882.07729	4872.510435	4514.100538	4053.260826	4174.518185	4959.792379	4401.164151	4018.697675
10.32_543.3521n	588.3307445	10.31815	neg													1258273.912	1171038.264	1247262.016	1400644.67	1454933.953	1458674.928	1395903.85	1311114.294	1456346.203	1327747.847	1331582.883	1629965.056	1463087.48	1362224.257	1595291.527	1567229.091	1767890.815	1616195.483	1508066.741
10.32_597.0169m/z	597.016887	10.31815	neg													27319.44766	22926.69993	22825.19656	23695.92499	22782.57383	25621.00479	24336.15824	23689.07077	23617.78368	24882.90804	25604.05919	25513.6967	24858.39328	23128.87914	24839.07232	24571.65504	24190.2801	23563.32731	23711.0697
10.32_661.0696m/z	661.0695946	10.31815	neg													20195.09611	18117.9209	19275.83129	19909.95186	18306.22697	16825.42543	15927.38122	18380.45091	17532.32874	18850.69276	19786.76098	21513.88614	21051.2149	19772.00386	20608.27755	16636.1097	19077.57902	19249.38792	19164.17166
10.34_118.9909m/z	118.990942	10.33883333	neg													575.8614314	582.7663014	589.541105	645.0827965	615.8611745	620.6832508	607.8765108	528.7258835	592.5605086	582.7222604	593.1402018	548.999743	495.6388328	606.2121149	638.9693287	657.7484169	615.8460631	599.0275409	597.791202
10.34_313.6043m/z	313.6042913	10.33983333	pos													523.3117508	531.2465402	491.2157898	944.0349217	609.8181656	1131.034999	746.8908787	271.2867122	507.7482821	679.2021069	613.6619212	299.9098054	605.6276557	440.4604728	954.2988322	932.5714461	709.3662687	531.6459602	1068.49828
10.34_447.3461m/z	447.3461012	10.33983333	pos													5071.260364	4321.696107	5785.87917	5372.296147	5920.54153	5116.997061	5400.13218	5792.942045	5788.134797	5336.03803	4755.225139	4999.4413	4961.043792	4799.256263	4465.826465	5654.693107	4724.091946	6094.256495	5129.05544
10.34_491.0140m/z	491.0139805	10.33883333	neg													4547.900832	4675.451187	4529.29511	4004.75537	4100.685696	4269.758277	3649.474802	4695.328671	4704.637529	4682.337716	5520.531394	4044.716167	4659.521742	4862.164144	4331.48475	4628.356334	4211.900915	4134.105956	4398.254191
10.34_501.0165m/z	501.0165167	10.33883333	neg													8571.283291	9981.441881	8666.542032	9343.262843	9604.997424	9391.486411	8900.79005	10062.45635	10284.72604	9526.002124	10760.30889	8947.064878	9657.162047	9040.885069	9376.795602	8903.2538	10245.96961	9436.092586	9568.132082
10.34_525.0014m/z	525.0013848	10.33883333	neg													5134.790269	4205.470449	4174.128652	4604.981629	3893.550776	4497.269847	2498.90178	4684.825954	3951.55073	5012.831446	4734.459613	3923.252147	4307.716439	4749.480237	5232.17209	4519.257806	3824.294956	5225.250602	3967.92996
10.34_535.0026m/z	535.0026377	10.33883333	neg													3147.527878	3941.958521	3629.522478	2607.838345	4118.224142	3700.917539	3160.642442	3390.956142	3616.235195	3078.554176	3379.52044	3504.482425	4398.000061	4702.754974	3661.889574	3621.314011	3741.483952	2934.564813	4091.896678
10.34_567.2572n	566.2499077	10.33883333	neg													34648.12556	29099.34019	30357.27386	39179.68674	33058.00797	38144.15976	34330.50898	23420.84016	25883.8046	33403.41109	39259.47276	26038.35398	34785.94526	33787.70683	41750.84505	37698.03118	42145.66234	41962.30544	46564.07993
10.34_575.0223m/z	575.0223105	10.33883333	neg													18198.4753	13921.37397	15892.64238	15385.98069	15235.31412	16485.0452	14724.57032	15544.29794	15874.5373	16678.91355	14771.00755	15116.7807	15840.97117	16606.75	16080.55233	14981.51277	16716.86551	14683.27532	15654.49859
10.34_590.2500m/z	590.2500323	10.33883333	neg													3967.165335	2589.833117	3752.032766	4973.548924	3614.51062	7421.610124	4751.250165	1594.801861	1850.399398	4902.820229	5155.334277	2249.546613	6505.048422	5847.555596	4431.063748	5386.474025	4486.906648	5704.354304	7239.104143
10.34_634.2375m/z	634.237535	10.33883333	neg													8889.681989	6692.89295	9044.274686	10902.66415	9094.048737	11555.97221	9586.442817	6035.097958	6037.915304	10229.84457	11368.8838	5317.487452	9279.461721	8611.406255	10632.70545	10295.3765	11312.71829	12697.6458	13029.61009
10.34_644.1922m/z	644.1922272	10.33883333	neg													1144.60023	1060.465633	641.7255249	1688.263641	1399.542999	1254.825274	1560.803869	202.8733657	380.6999272	870.2572446	1191.325256	1829.192104	1558.715907	365.9711257	1882.029927	1889.855826	2297.737024	1410.885248	1549.92458
10.34_702.2245m/z	702.2245248	10.33883333	neg													2796.325444	2162.005496	2711.130013	4442.612839	3015.791649	4024.169658	2859.945151	2216.085717	1739.293308	3126.19472	3893.587376	2057.297713	2276.934947	3085.312934	3728.759141	2840.285072	3445.734301	4716.247472	4839.373261
10.34_951.5269m/z	951.5269461	10.33883333	neg													2743.242052	3176.360162	3160.295252	4159.112229	2464.031578	4072.071734	3507.460825	3540.78089	4472.848819	3897.983936	4278.705428	462.9744244	4426.306671	4538.738993	3405.217919	3642.020042	2313.967534	4231.552879	1247.466823
10.36_250.1773m/z	250.1773291	10.36063333	pos													4651.442023	2936.480018	4616.30992	4657.843479	4228.385436	4205.305826	4270.94112	3991.363365	3838.135805	4482.618231	4508.555013	3190.703224	3376.63931	3725.018435	4238.182409	4129.249046	4598.111181	5026.781758	3981.406174
10.36_267.6094m/z	267.6093616	10.36063333	pos													1571.098113	1698.385171	2418.590911	1958.496216	2208.300788	2101.227167	2042.815063	2214.919168	3092.279592	1573.477143	1900.339726	3946.28692	2709.793278	1790.108738	2045.970603	2305.193341	2419.813531	2445.168112	2151.404051
10.36_301.6042m/z	301.6041694	10.36063333	pos													3173.211296	2998.241245	3414.299908	4761.207897	3478.750291	4061.237907	4253.742096	1904.095738	1709.007142	3678.987178	4104.878265	2177.038728	2975.045711	2638.208467	4130.339291	4696.000389	5033.57136	4197.459832	5109.883812
10.36_376.9853m/z	376.9852925	10.36035	neg													1558.633914	1205.947209	1131.998428	1660.244896	1787.434454	1320.383461	842.1664508	1536.762766	1242.414861	1473.262368	891.8577698	1450.784014	1329.917351	1288.352468	1551.784432	1076.996276	1762.297727	1324.37444	1425.374224
10.36_509.0048m/z	509.0048145	10.36035	neg													26546.67929	26672.61903	25725.57103	26372.66103	25614.2633	25746.19251	25565.37067	25324.98359	25492.58315	26812.66782	25840.36887	26602.12086	26604.37362	25067.50097	25304.45886	26703.31761	27094.20323	27254.49501	26632.46089
10.36_544.2678m/z	544.267787	10.36035	neg													318690.8962	280681.9039	299976.5731	384186.1933	322501.2331	394791.3999	350535.7683	228188.2042	240525.5863	329679.335	367833.3	248002.8878	338819.8387	319208.4931	391508.0168	375924.9722	399908.1433	397066.6706	453105.2032
10.36_547.2771m/z	547.277094	10.36035	neg													1108.510889	1055.31437	1448.383057	1656.800343	1165.001832	1835.587156	1686.370823	605.2295511	955.269434	780.3371568	1772.574131	1224.657244	1333.273757	1350.728343	1651.318218	1500.426434	1566.244676	1535.757503	2006.285214
10.36_566.0388n	547.0209194	10.36035	neg													31454.28465	31269.89731	29597.17534	29843.18605	29678.67114	27945.78758	29433.86462	28422.06775	31090.60097	32969.37216	32830.98234	27840.296	29213.42976	30034.14342	30016.59597	30407.94856	30512.60245	28224.07157	30009.60762
10.36_569.0229m/z	569.0229269	10.36035	neg													90905.14538	89414.78177	86255.11888	91609.74259	92668.09037	90529.65522	91034.88506	90442.41082	87713.37633	95190.13406	97233.00077	88423.35549	92578.8704	87735.11946	90000.00038	91253.97088	87425.96693	89255.94226	84895.25181
10.36_680.2410m/z	680.2410183	10.36035	neg													1481.921967	1433.545561	1445.807785	546.8905614	865.5871173	721.3780233	1425.375582	1546.941218	1047.218084	727.641534	1124.810064	3046.475198	1720.644585	1127.580681	1922.207099	1002.516564	1405.079706	604.4652722	1009.525177
10.36_909.5498m/z	909.5498483	10.36035	neg													2422.928006	2656.194076	3318.299207	3791.533466	4805.350822	1734.994225	1478.065224	2953.160998	971.3639521	1041.601739	1153.554106	3369.754769	2761.244996	4079.965739	4323.820853	3911.529272	5637.244981	5220.904341	1979.553074
10.38_1003.5695m/z	1003.569452	10.3819	neg													581.4067584	623.1339176	757.8717686	535.951703	737.3682535	591.1000341	0.000297236	0.000297236	678.3874067	1229.572275	1205.505183	1169.123475	835.7303881	1642.983016	876.3105126	1370.285692	1509.950998	755.1660689	1322.824212
10.38_1005.5822m/z	1005.58217	10.38106667	pos													770.6663329	1223.221063	989.5793762	814.1121536	2069.805413	2433.820576	1286.444083	0.000297236	0.000297236	1415.959518	955.8277678	0.000297236	2455.927614	2115.081404	0.000297236	1334.961266	1284.315067	1126.970476	2861.258203
10.38_339.1997m/z	339.1997448	10.3819	neg													1069.579984	1295.447777	995.1610718	1021.487898	1004.888691	1062.010357	933.3487833	1180.529997	982.309494	1239.922499	1185.254717	1189.493059	1221.794888	1254.819547	1288.015046	1112.577698	1210.853542	1286.862758	1089.215728
10.38_446.3736m/z	446.3736436	10.38106667	pos													1708.750527	2077.441631	1694.54467	1426.981723	1916.893444	2617.887522	1654.622389	3662.165898	2951.386753	1551.89798	1400.091154	2534.586087	2674.688377	1451.636753	774.4748852	1295.43837	1494.643351	1824.230289	1609.643843
10.38_475.0196m/z	475.019643	10.3819	neg													3215.595687	3440.151192	4126.594387	2218.428728	2585.817028	3685.6749	2935.80442	3667.011476	2180.023733	3609.626757	4069.65556	3651.595408	2650.938096	4162.979549	3809.464459	3187.217627	4422.800743	3693.946813	3755.418499
10.38_488.3592m/z	488.3592059	10.3819	neg													4740.05005	3725.797643	5066.978038	3301.206426	4859.745974	6284.033572	3736.314306	9019.82134	7459.745899	4207.341607	4092.70488	4998.477268	5967.547448	6223.907938	2550.270256	3853.534726	4204.783119	3739.235332	3503.863901
10.38_490.0063n	489.0162633	10.3819	neg													32244.01482	32248.77022	30564.32527	31469.45006	30377.10994	31227.69576	31225.8463	31661.00751	33518.07832	34182.43522	33692.18718	32632.05601	29826.92575	30492.94744	29916.77984	34452.17477	31053.7009	32149.99707	29312.46052
10.38_505.3008m/z	505.300811	10.38106667	pos													5527.154427	4952.89277	5496.711026	5788.496802	7132.218233	5820.401372	6161.81058	3990.20291	4895.505895	5697.413086	5560.461776	5586.176317	6995.503655	4624.340639	6480.258539	7810.925547	5378.839356	7701.393924	6229.200844
10.38_557.0160m/z	557.0160428	10.3819	neg													14926.96035	12869.67014	14050.32143	13606.08098	12372.12725	14210.72293	12059.46639	12879.28536	14269.15801	14808.51398	16588.59444	13173.73247	14385.03649	14218.8082	15667.06988	15569.20345	14251.3871	13609.4591	15285.46661
10.38_563.0306m/z	563.0305974	10.3819	neg													58698.04786	53042.26167	54391.33595	55456.38796	50597.39918	55215.13072	54836.30336	52599.5388	54398.52547	55036.99756	57323.50894	55807.86696	53303.21345	53128.17393	54410.6088	56661.78609	53973.68758	55608.91444	53726.30315
10.38_563.2749m/z	563.2749096	10.38106667	pos													745.6515448	964.4013036	1170.40004	1358.644295	1398.856304	837.3488354	992.7732522	379.0143594	1449.360944	1429.74768	526.608537	1619.456858	1046.691612	1910.786616	943.0939422	750.7516903	1788.846703	2589.702484	2217.146835
10.38_615.0459m/z	615.0459436	10.3819	neg													49331.63495	44719.93771	43885.8652	46365.21176	46260.43494	42313.98087	43827.53002	45505.72034	42464.93429	43571.6378	46089.26441	47527.98284	47776.45715	45423.17031	48299.55353	48182.32859	51764.13691	46832.58482	43845.50042
10.38_643.0771m/z	643.0771042	10.3819	neg													4230.834263	2810.341517	3264.423755	3628.760722	2671.215872	3259.267772	3168.327608	4591.903253	2471.704624	2417.035848	2912.371227	4041.234274	3477.627368	3363.575432	3747.162642	3516.97866	5048.901334	3997.32068	3252.518868
10.38_680.0662n	679.0589379	10.3819	neg													83995.9842	73640.49705	83871.95908	80013.96479	75061.44248	78721.49659	81208.46724	79464.00897	76237.0297	79659.52569	82149.35917	87254.58538	88357.82817	83063.12425	83803.0341	85353.01752	82277.85136	82681.64261	81773.34512
10.40_1083.6633m/z	1083.663333	10.40193333	neg													2791.314151	2484.729943	3131.268158	2074.149088	3869.817644	3374.035411	3428.149507	6495.404279	9412.040619	1323.338591	2819.984722	10997.05395	5668.756312	2008.212516	4845.704725	4198.794941	6640.066005	3699.494849	3374.279308
10.40_1107.6631m/z	1107.663113	10.40193333	neg													5573.692525	3301.384871	4635.033478	4502.43866	7382.77135	6220.195996	6243.665773	8309.970703	13811.56274	7619.957245	5936.313836	22075.27423	7869.192159	6537.19613	8628.264329	8382.081893	13703.45471	10536.66265	8285.812285
10.40_1133.6519m/z	1133.651913	10.40266667	pos													1153.989782	1436.395354	1262.114563	3389.826692	4286.580027	2934.349684	2899.909898	0.000297236	5684.934793	1663.858039	2878.020472	7420.564808	3749.723092	2393.96424	5890.191669	6523.237305	6648.631759	4901.130322	5040.151042
10.40_288.6327m/z	288.6326962	10.40266667	pos													16420.59494	14576.1638	16194.64013	15549.29346	17409.682	15439.53176	15256.69767	24063.34561	26094.50092	14287.91284	14425.05181	24875.10013	17374.65079	17105.24029	19993.30548	19669.48989	22239.91313	18414.55082	15606.22255
10.40_461.0052m/z	461.0051556	10.40193333	neg													6368.803422	6421.924627	5940.771415	6556.274848	5965.761389	6184.838339	5984.570908	6097.420753	6654.262987	6553.441969	6524.80544	5952.802835	5860.149603	6423.229983	5883.884572	6651.32011	5879.111981	5794.725319	5923.206913
10.40_497.3464n	542.3468519	10.40193333	neg													2303.547431	1836.517191	2336.965795	2702.724876	2045.681174	2484.381353	2271.6358	1721.215605	2255.51654	1355.166571	2761.73159	1945.681147	2674.193429	3381.063674	2441.517969	2630.181102	2395.536531	2016.468347	2754.227673
10.40_523.3470m/z	523.34704	10.40266667	pos													4855.286722	4444.969746	4424.721952	4029.974537	4310.691986	5207.365734	4781.194947	6174.991492	8195.909569	4450.310344	3684.326424	8606.350946	6304.011457	4356.37786	6003.628681	6489.194419	6326.694478	6186.221516	6170.068569
10.40_540.0232n	585.0173044	10.40193333	neg													49031.66724	45531.17014	45620.69828	46864.17368	46716.7259	47067.51999	46646.48362	48428.54254	47036.66132	49190.46234	52428.03092	48621.59136	49518.40099	48349.05646	50567.63459	52156.22702	48774.19882	48937.81482	48635.6419
10.40_543.0175m/z	543.0175015	10.40193333	neg													28300.70346	24926.32348	23996.61313	29148.50354	24571.39164	25013.04947	21696.36041	23825.85668	24912.26002	24650.59128	28235.22634	24742.54416	27137.82063	27662.22425	25013.5719	25308.19226	26652.97101	23438.94731	25842.76457
10.40_554.3020m/z	554.3019534	10.40193333	neg													6956.649039	6634.648578	7578.367806	6647.155632	6581.539517	6629.570421	7313.497175	11085.05704	11809.28003	6763.581583	6943.170001	13240.69484	6917.696506	7969.716383	8280.576056	7595.23867	9342.683356	9399.190888	7908.398732
10.40_581.3214m/z	581.3213861	10.40193333	neg													3097.952279	3102.499669	2674.457237	3295.47834	3267.409807	2883.966659	3407.060173	4944.525874	6189.923986	3321.575025	3085.662952	5183.791401	3853.022065	2776.687624	4658.233902	3188.973947	4388.083862	4478.52561	3853.013986
10.40_593.0228m/z	593.0227558	10.40193333	neg													46413.00749	39299.63222	42325.53361	41861.84374	40303.18788	42198.767	38551.12637	37327.70957	39732.31142	42728.74648	41468.73639	44109.54501	40939.77928	42301.73212	43586.1604	44731.32168	43211.92412	41161.91434	40655.82222
10.40_609.0173m/z	609.0173293	10.40193333	neg													16268.79992	14747.10888	14430.07881	15199.49785	13905.63114	14887.73797	11653.95779	13089.02217	13580.01786	14632.39103	13959.82889	14805.88765	15602.17605	13834.13749	14644.39292	14413.69582	15260.4856	12517.39788	13856.23076
10.40_610.3076m/z	610.3075894	10.40266667	pos													12872.02179	10141.34388	11819.58376	11579.4485	13023.77221	12335.53511	11383.58561	15780.15635	20041.47485	10883.44131	11962.05948	13010.73403	11273.26791	10324.4458	11616.93315	14742.95558	15708.95202	13056.61455	12897.86591
10.40_627.0463m/z	627.0462995	10.40193333	neg													29521.69041	22276.50464	24840.54321	26368.08775	26119.27584	25759.64846	24537.32506	24941.89882	26726.75358	21467.83606	26683.40194	28141.39461	27511.08588	23872.01389	30426.65118	27056.56193	24201.24432	26295.29841	25517.70613
10.40_632.3182m/z	632.318162	10.40193333	neg													55816.08329	55355.26588	53777.40979	53340.69479	59800.63108	53436.01646	61348.91364	82661.52044	91939.83998	51664.24607	52632.1112	92618.46256	70319.92934	58888.9782	65444.37476	59446.95061	80164.28085	67365.70529	61670.89174
10.40_652.0544n	651.026941	10.40193333	neg													357587.3468	317995.9841	336122.8181	347905.7686	326643.4861	347458.4019	322302.5227	331090.6212	316466.1597	326865.8014	340610.4691	339462.3582	348709.6098	339308.8974	339460.9783	357683.2867	347205.8336	341485.1779	331517.9185
10.40_661.0299m/z	661.0299486	10.40193333	neg													45443.07246	34537.13644	37382.13428	42620.46492	37283.33377	39741.47517	38080.02306	33236.11952	39356.23972	39426.40951	39078.61542	39439.59922	43744.93063	40364.46357	40518.93087	43352.58195	39907.73742	38212.98487	42145.34157
10.40_699.0274m/z	699.0274253	10.40193333	neg													6106.411619	4681.832626	3934.385887	4239.96818	3352.270778	5399.020894	6520.552601	4729.822652	3358.638347	4634.564075	4198.000568	4576.746959	4850.020503	7249.085972	4599.967809	4305.503786	5161.95469	4840.760268	5119.25482
10.40_700.3056m/z	700.3056274	10.40193333	neg													15838.9887	16994.09775	14677.11489	14916.49826	16676.89226	15028.36607	19395.01583	24826.35186	26669.45545	14203.24038	17684.16886	28349.27956	21092.99833	15137.69017	18974.12049	16120.40949	24710.00531	20542.43055	17423.05563
10.40_768.2928m/z	768.2928356	10.40193333	neg													5506.349697	5848.656103	5603.606189	4865.229895	6570.861661	4572.844139	8233.841085	9299.705238	9423.948707	5749.182566	5263.48807	10328.27612	7488.010707	6414.489988	6501.956246	6639.834178	8574.430803	7181.838467	5798.381488
10.40_836.2801m/z	836.2800818	10.40193333	neg													2234.694164	2803.146307	2720.86531	1280.911432	2277.037946	2857.039584	2819.198089	4631.744731	4628.379145	2031.811544	3064.199787	5149.862841	3086.795004	3007.517285	2661.978659	4108.837381	4241.510616	3075.140089	3147.985392
10.40_884.2802m/z	884.2802487	10.40193333	neg													1505.738803	1176.627643	886.7663269	1250.715902	533.7186877	1426.195969	1409.808303	1045.27546	0.000297236	1304.891358	1995.255223	1034.052244	1634.040098	2469.461018	662.9063505	796.1659409	611.7295193	1589.96306	1264.934518
10.40_904.2677m/z	904.2677451	10.40193333	neg													980.352994	1495.827107	1113.323151	1299.088356	1289.643503	1183.953443	1363.467795	2023.688277	3533.78863	1543.471645	1499.831489	2021.173515	2467.240397	1698.24146	3053.096871	1041.451144	2898.78453	541.2451846	797.8341484
10.42_1085.6512m/z	1085.651238	10.42206667	pos													12683.24325	13478.93934	13414.68842	16561.51636	23648.43384	15169.89794	18661.23909	23175.24641	44746.45637	14708.78115	17433.12771	54595.78108	20945.72746	16924.13748	27957.66949	28024.14517	36465.03305	28273.97688	26245.14221
10.42_1109.6510m/z	1109.651009	10.42206667	pos													13732.62826	8131.385472	10207.67688	13223.47962	19364.73864	15235.54234	7296.495908	11967.53892	32117.99082	14189.51141	13942.28229	40387.99265	21693.51171	13277.0063	25821.87841	28837.11006	29463.22896	25262.256	24702.30479
10.42_264.2528m/z	264.2527655	10.42206667	pos													8325.122791	5011.42987	7461.943945	7173.309688	6220.042758	7213.595211	6981.622287	7299.171288	7704.708025	7121.548632	7992.678352	5042.085254	6152.002455	5961.147503	6524.282935	7126.631693	6831.752395	6759.599448	6514.579691
10.42_287.1333m/z	287.1332734	10.42206667	pos													1515.146425	1630.959736	917.5056992	1320.810259	2064.160516	1712.468281	1112.987822	2600.144487	3280.127954	1255.255644	1229.75194	3158.289827	2167.538543	1457.134993	2247.756634	2409.697607	2793.555365	2416.526691	1887.199172
10.42_287.6322m/z	287.6321798	10.42206667	pos													1052.448733	1445.721688	1120.195383	1382.320307	1121.171859	1002.066914	1203.640502	1209.216772	1406.323704	868.2443237	1071.528598	1837.273026	1815.429005	1555.694613	1618.415432	1950.77588	1930.660268	1710.578886	1272.563842
10.42_309.1692m/z	309.1692486	10.42301667	neg													462.934407	301.9146977	532.7110176	204.6389312	323.5782682	476.782414	111.4111376	423.4576309	412.3818317	293.7148608	244.3664504	109.220873	531.7173265	316.3196781	155.3861411	368.3477102	302.9387203	354.1582235	328.5759646
10.42_370.9947m/z	370.9946528	10.42301667	neg													2476.868341	2325.968456	2350.075998	2550.627532	2165.995293	2424.064166	2533.170323	2243.344071	2017.485841	2748.854926	2341.54945	2236.512438	2322.06136	2428.407874	2128.662171	2345.536438	2632.345427	2605.757932	2387.274847
10.42_402.3474m/z	402.347371	10.42206667	pos													13167.34827	13394.98243	12017.17787	11331.6748	13918.37567	13024.29198	14830.99908	14283.70382	19433.14286	9105.052613	10725.26273	20412.09521	15687.37098	14041.30417	12488.28023	11450.26247	11967.9249	13423.97076	12111.63353
10.42_529.3122m/z	529.3121787	10.42301667	neg													727.1015654	668.1090989	430.0897827	632.94126	771.3503658	779.8409561	880.7893791	552.9435682	977.4064422	753.5085112	595.9506194	678.0249185	843.0068907	284.8208175	643.6056167	475.3689055	883.9534218	1056.370662	586.5478632
10.42_584.2974m/z	584.2973515	10.42206667	pos													1001.168283	1155.49094	905.1082562	1974.310421	1327.504613	1852.571131	947.0288553	534.9629895	2013.622436	1677.046239	1727.013059	593.3700731	1930.503018	1691.745738	2255.665114	2683.705958	2448.528582	759.5044489	1296.99209
10.42_623.0338m/z	623.0337861	10.42301667	neg													1789.516726	1218.054869	1439.364891	1841.62747	1330.373714	1882.610442	1955.849172	2030.497172	1212.394112	2083.973674	1508.25576	1873.305892	927.6726786	2211.438357	1135.902898	1221.273593	1356.409908	1337.948239	1517.966153
10.42_630.0697n	675.0469801	10.42301667	neg													40971.40807	32609.12094	35407.24991	40055.38483	34070.98324	39705.97793	36003.16975	36593.79359	34336.72597	39759.0991	44131.68328	37401.97301	45418.91564	39979.77032	39465.61503	44956.2251	43105.11131	37094.33293	37891.73011
10.42_647.0134m/z	647.0133534	10.42301667	neg													8120.81891	9254.803387	6269.639002	7884.642349	7180.771472	5680.963588	6607.526219	7850.645628	6501.107307	7674.559919	9017.240947	6613.055531	8219.598137	6719.651087	8129.976935	6938.399914	8551.287703	7350.658323	7185.489812
10.42_711.0637m/z	711.0636894	10.42301667	neg													29268.43906	22264.16299	23990.70701	27006.84467	24172.70871	23828.77541	22317.36766	22645.48806	25734.9138	26339.17899	21373.42273	25577.97592	26655.07436	23478.38352	24672.59182	29627.86239	26371.0158	27998.19948	23626.126
10.42_736.2611m/z	736.2611152	10.42301667	neg													586.0868879	640.8342895	763.7390706	910.5729563	629.0958635	309.4357294	387.6270024	1040.523944	302.8353452	497.2117759	441.2495443	1950.97005	939.4927074	1182.530104	1199.284975	419.3845833	1457.072913	1951.580112	575.655283
10.42_739.0584m/z	739.0584403	10.42301667	neg													7369.602985	7403.225522	5089.287453	6388.299505	6275.065908	5299.415806	5895.178502	3248.362155	4708.454599	7260.923783	6196.686022	8399.655396	7508.410413	8628.605927	5173.970032	5426.987601	5821.913323	8060.443359	8680.606991
10.44_130.5215m/z	130.5215176	10.44185	pos													13027.66444	12781.2135	12679.57125	12767.18208	12022.45385	11618.00296	11819.88033	11912.90143	12234.27202	12382.67411	12173.72484	12676.35038	12916.0513	13154.98535	13635.82687	14058.32399	13395.94472	13854.07027	12009.84573
10.44_292.6171m/z	292.6171252	10.44185	pos													770.6365767	612.5542792	532.1153214	722.3435548	854.364935	820.0551469	1040.14813	119.0220889	415.6373188	563.5094639	559.4989693	518.2571984	841.6423089	685.8087942	714.1814533	941.8479506	567.5963296	1007.145733	1153.218183
10.44_425.3447m/z	425.3447492	10.44185	pos													4035.363736	4031.010463	3743.953082	3168.780412	3731.279719	4398.196361	3550.426588	6569.860812	5856.07408	3611.31958	2912.944857	5645.197152	4053.832701	5673.660795	2873.454631	3141.973105	3984.570927	3511.604288	3442.523632
10.44_433.0113m/z	433.0112912	10.44475	neg													2730.217788	3257.26609	3126.410276	3526.103764	3083.430101	2614.801553	2965.871418	2372.6157	3251.838297	2930.243138	3498.699073	3223.401785	2446.277775	3063.036677	2799.263758	3057.663044	3301.008699	2954.787747	2597.528502
10.44_449.0228m/z	449.0227896	10.44475	neg													5384.401677	6676.756228	5663.445846	5710.809109	6100.481218	5745.248438	5257.202023	5329.95745	5105.190081	7081.456734	6207.331085	6102.423575	6655.072664	6497.509335	6087.697741	6230.298627	5441.099785	6581.432178	5734.567354
10.44_455.2416m/z	455.2416052	10.44475	neg													1192.036787	1307.755853	1265.733414	2215.545624	2366.027674	1562.234356	1689.419535	283.5780202	1010.980534	2208.637685	1283.500374	1326.719527	2771.369184	1670.06166	1182.415621	1143.84443	1442.763537	1452.165666	2243.710145
10.44_475.0009m/z	475.0008966	10.44475	neg													18640.6836	15944.19775	16137.38126	16388.32816	19069.15726	16664.13682	16435.89022	15570.0466	18344.18095	17251.06552	17034.58904	15595.30107	17241.28659	15884.56347	15161.01834	16383.39111	16539.39769	17242.03717	15599.86234
10.44_477.2467m/z	477.2466561	10.44475	neg													12708.78018	12351.74198	12050.51857	9775.29164	13606.7598	15711.5362	9393.227902	17639.74473	21021.92378	13380.86976	10649.63522	7904.578136	13733.60112	14195.67908	18823.63366	15761.27527	14628.50033	15731.18369	13579.10576
10.44_490.9957m/z	490.9956566	10.44475	neg													11633.14693	9947.084548	10321.17288	11708.154	12565.56527	10465.53864	9723.267678	11100.56583	11290.59162	12245.90577	10392.78505	10834.86101	11922.61201	10209.88679	11039.21051	10904.96204	11114.56492	12469.34987	10283.08054
10.44_499.2284m/z	499.2283633	10.44475	neg													797.3036479	872.9002082	998.2238998	738.906908	1192.075868	1965.398062	986.0981067	510.8157328	875.4026275	1227.880404	1021.585243	920.0319712	1730.869432	1216.030675	1727.724384	694.6608492	1117.895905	1341.74605	1725.63481
10.44_529.0117m/z	529.0117172	10.44475	neg													69016.43375	61434.9051	61025.72938	63204.73543	61081.59986	65509.6881	63645.94216	63576.63089	61420.41524	67636.38329	66543.63647	61421.98941	64743.05757	61183.56339	65890.97535	68643.95503	65662.03043	63399.58227	64311.95777
10.44_571.0015m/z	571.0015152	10.44475	neg													1793.473809	2569.135619	1603.485619	2245.673682	1730.269213	1921.292083	1851.449959	2029.626005	2652.330287	1386.701325	1193.63948	1691.417415	2755.396993	2015.327108	2188.086458	2196.182934	1862.621387	1893.304788	1699.458502
10.44_598.3730m/z	598.3730402	10.44475	neg													1306.877488	1008.382895	1381.06046	1716.631068	1280.665631	2569.556786	1990.277755	263.7926458	447.5899193	2438.099572	1790.044579	123.9805409	1464.120835	1464.770322	1676.982119	1111.269413	1695.74764	1233.703407	1589.710945
10.44_655.0404m/z	655.0404236	10.44475	neg													5969.344774	5916.900596	4984.356149	6270.766649	5970.716005	3981.910661	3161.353454	5890.873702	3488.451308	4329.193555	4493.612887	5213.018776	6774.743017	5611.294868	4693.446681	4756.503034	6381.437842	6445.046723	4284.017997
10.44_657.0371m/z	657.0370632	10.44475	neg													7178.266788	5398.244268	6692.196173	6113.943405	6716.745155	7461.008245	5197.038486	5249.600728	5096.590154	7155.401221	4405.47328	7011.207136	7051.500742	6466.448334	6316.401567	5013.519427	6929.071405	5485.470917	5901.011821
10.44_663.2757m/z	663.2756956	10.44475	neg													1709.155342	1389.497965	1148.060887	1059.367956	1372.644301	1644.967669	1627.278512	0.000297236	274.2615661	0.000297236	1278.072957	918.5907229	2122.984991	1584.820396	1434.556923	1577.988221	1586.855782	1650.866804	1996.345315
10.46_284.2214m/z	284.2214308	10.4628	pos													683.6896758	532.7832451	902.165075	357.2071849	466.6800164	584.3456523	307.5137305	254.8385689	823.1273115	136.3540812	721.7939779	624.14425	412.4793233	443.4224681	281.917293	896.0843068	343.1180935	345.4812149	313.3467966
10.46_287.2211m/z	287.2211134	10.4628	pos													6888.917542	5673.848913	5068.525726	5526.977608	5893.746264	5713.775744	6123.59093	4951.600987	6636.749524	5502.23667	6013.804744	5709.793837	5823.394954	5420.654109	5702.003193	5795.651258	5254.810979	5541.09127	5300.08207
10.46_475.3608m/z	475.3608166	10.4628	pos													653.4266605	502.0519754	594.8150332	220.1701397	167.8161966	358.1170639	239.6967833	2254.02433	2845.810195	0.000297236	0.000297236	2691.327167	0.000297236	0.000297236	197.2611479	198.4448912	325.1038529	256.7406106	0.000297236
10.47_334.2057m/z	334.205672	10.46646667	neg													2595.133595	2370.71149	2250.614571	2179.282877	5566.53395	3961.69706	1505.932683	4850.49964	3293.277073	2246.740379	1693.632111	1233.484516	2633.809316	2179.108325	2740.15352	2129.082413	1465.517127	1529.102749	3360.826947
10.47_397.8898m/z	397.8898288	10.46646667	neg													9990.633202	10514.53451	10343.854	10507.20159	10299.97774	9006.984154	11332.75495	10713.04251	10909.1451	12015.31917	11647.55061	9068.431114	9112.096666	10803.3135	10263.24454	9993.26348	11091.42622	10723.04364	8577.331109
10.47_422.2678m/z	422.2677582	10.46646667	neg													419.9310691	723.8956379	556.8793945	643.6237141	490.2075977	757.1020499	829.0411814	859.9495985	943.4221205	750.9533295	788.2657386	871.5551306	443.8241585	403.7140363	993.393229	799.9660427	763.3121345	840.5715605	522.9230368
10.47_454.9947m/z	454.9947159	10.46646667	neg													11212.75597	12051.92335	11263.32287	11953.04255	12114.76835	11596.33472	11602.68395	12080.29601	11843.15751	11017.25232	11411.92773	10926.39838	10007.16594	11438.07184	11541.07024	10234.89817	10157.25053	12082.92355	11121.27799
10.47_458.0130m/z	458.0129689	10.46646667	neg													5870.523733	6316.220728	6479.790532	6433.640455	6721.811883	6442.639923	6315.554639	5864.978761	7473.999653	6628.369164	7882.792844	5422.99008	6064.848429	6404.85865	6087.255934	6368.952786	6294.252672	6551.17219	5727.063531
10.47_481.0288m/z	481.028753	10.46646667	neg													11512.4315	12704.04698	11974.77667	12819.89569	11600.49139	12782.68526	10635.93445	13189.81179	14017.69642	13763.87211	12831.86769	11193.76295	12074.23699	13003.12054	13493.29338	13818.12226	12786.50124	12616.66742	11885.09837
10.47_509.2753m/z	509.2752838	10.46646667	neg													1278.006993	1608.000174	967.6457214	0.000297236	0.000297236	0.000297236	0.000297236	5473.47254	5540.668299	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	5094.257534	3624.088957	2745.448612	2798.080194	0.000297236
10.47_519.0076m/z	519.00762	10.46646667	neg													1991.472649	1885.025777	2324.157843	2401.936508	2549.299652	2680.792744	2118.924948	2341.712126	1597.141248	2255.900858	2278.319877	2248.798003	2541.44996	2355.365837	2913.704223	2348.380966	2076.998699	2943.83118	2386.735063
10.47_596.4032m/z	596.4031971	10.46646667	neg													7500.148605	7237.55432	7379.634854	7691.014637	9479.156348	11069.05125	6323.055427	8244.78905	8433.120403	8892.200851	6727.929735	7178.079406	7332.036505	7258.83942	7848.670396	6470.156399	6712.443856	7173.511208	7789.478403
10.47_635.0149m/z	635.0149398	10.46646667	neg													25204.53939	24622.24718	25377.73239	24421.90641	25756.83373	24777.71592	24017.39819	24532.26157	24350.12696	21494.88362	25428.47731	28024.20853	24297.33567	23871.67887	27822.00952	26591.35058	25679.2465	24478.95	25872.35889
10.47_650.0390n	631.0211425	10.46646667	neg													179045.5722	158893.4592	168616.2151	165904.3618	160001.1908	171425.2669	165433.4448	167342.0887	168891.4894	170423.0524	178174.9448	163106.9419	176774.1396	170873.126	177613.9906	176751.3873	171001.451	173062.286	171660.4259
10.47_682.3338m/z	682.3338417	10.46646667	neg													2667.113478	2529.539189	3608.973132	3067.735639	4121.742843	3574.46283	3563.933146	1904.995799	2263.276534	2577.255927	2946.30655	3898.287679	3173.713306	3509.073082	3952.631631	2342.49014	3167.767932	3244.370695	4131.589054
10.47_757.0497m/z	757.0497121	10.46646667	neg													27816.90397	19918.5634	24002.74061	25806.36411	21929.07262	23510.56384	21904.17444	21665.83646	23058.70507	19603.37744	26573.66985	23846.60261	26294.5846	27093.62483	27691.49456	25346.69301	28671.02526	22674.19644	28105.34763
10.47_813.5402m/z	813.5401903	10.46646667	neg													68382.21676	86504.2749	74506.138	79954.89796	89119.77152	86010.38968	107973.1722	108710.891	81107.4719	95212.16485	85393.8911	96566.00828	91882.46213	91975.29854	99874.13536	82303.35482	70909.15013	79003.25567	62099.48982
10.47_953.5370m/z	953.5370451	10.46646667	neg													12217.64761	12136.1606	14290.48539	14947.38576	18006.77001	15849.12935	15845.98399	13624.42783	11506.78866	14910.69048	10968.85252	10567.74644	17442.2469	18098.64969	16129.41343	11959.74046	17561.14964	13935.02799	11365.6705
10.48_313.6406m/z	313.6406095	10.48398333	pos													1306.468444	954.0166622	1057.368294	1295.127573	1089.298247	1063.061335	751.4559819	889.7440017	988.3480134	828.6310184	793.2528929	1178.340293	1601.771392	1094.434647	1190.251378	1126.0514	1216.761886	817.2194222	1485.631829
10.48_456.2981m/z	456.2980714	10.48398333	pos													1638.657557	1521.990751	2079.750076	2127.498249	2417.846545	1582.800099	1811.300213	1691.611295	1916.867109	1537.458853	1213.461014	2389.019753	2680.00529	2254.552449	1552.135116	1623.134189	1501.673357	2149.21384	2209.859915
10.48_531.3979n	570.3549304	10.48398333	pos													138463.5835	148422.4877	134805.845	148387.8383	153288.1914	157942.4459	136388.9999	157577.905	199532.9677	114782.8977	123506.026	224439.7874	180149.6182	158639.1712	166352.2282	147563.0628	152656.2656	154097.8261	172906.924
10.48_558.4206m/z	558.4206224	10.48398333	pos													5722.997563	3743.624806	6397.339777	5817.312849	5304.016833	5880.759852	6172.147598	5825.814639	6589.035975	5403.006369	5617.983271	6039.553522	5787.510901	3346.163627	5611.731204	5850.748247	4517.371358	6676.065904	5424.088211
10.48_593.3400m/z	593.3400246	10.48398333	pos													2596.156917	2785.366785	2831.106964	3658.009844	4031.482463	3266.692374	3476.251553	3161.791891	3162.249797	2129.073901	2900.584633	5031.326033	4051.85758	4602.91743	4167.166617	2587.482725	3564.410731	3283.797304	4552.590452
10.48_598.4165m/z	598.416525	10.48398333	pos													9943.24458	11471.66431	9829.235979	10158.31186	11925.78244	13640.81324	6804.629137	11204.68297	12050.47905	9540.615525	8061.075349	12516.21509	10234.93305	13005.52783	10081.83225	8510.978469	9532.902949	11446.67025	10853.90652
10.49_414.2319m/z	414.2318897	10.48828333	neg													7781.641132	8097.573389	8292.587452	6964.28761	9356.043487	16321.08737	7414.474529	21226.82593	14104.40206	10015.54769	7434.660903	8397.426119	5772.617818	5399.712464	5365.333832	6436.220305	6152.34469	9739.76899	7015.750553
10.49_451.0019m/z	451.0019451	10.48828333	neg													1262.214291	2171.405544	1764.902539	1727.244781	1316.443123	1833.62627	1897.594744	1558.742977	1199.002148	1788.5745	1807.694606	1491.691841	1523.958973	1572.554352	1458.293871	1150.423018	1745.362512	1912.497763	1504.723994
10.49_454.2841m/z	454.2841368	10.48828333	neg													1225.312886	921.4866639	1094.490946	1103.824021	1185.278381	1181.604922	982.4975033	760.9235798	905.0195834	792.6666251	1161.810425	1362.56371	1163.370709	1271.024145	760.0270752	796.9858309	834.4864323	1182.075752	1161.065951
10.49_522.0135n	521.0074173	10.48828333	neg													31204.17569	27950.74452	30578.57503	32480.65447	29064.86631	30016.48229	29784.24596	28492.17575	29459.28176	30637.41574	32031.87282	28611.11526	31435.76192	29260.84395	29087.07653	31842.98771	32306.16236	29785.40397	30073.93096
10.49_533.0194m/z	533.0193742	10.48828333	neg													26324.55389	26682.3723	28526.17535	25403.02861	26289.57131	27937.4726	24055.75251	28083.98598	26241.29494	26697.4966	28342.06135	25485.02957	26656.75036	27183.13302	27090.28799	26567.98834	29066.24568	26229.65203	27324.78383
10.49_541.0120m/z	541.0119601	10.48828333	neg													23329.85849	21692.46141	22733.64862	26790.83107	21457.418	23344.14814	22259.92462	22189.55746	23605.59959	24227.93796	24529.39272	22568.72289	24349.58956	24712.19085	24805.63924	25796.94131	24545.75526	25870.87936	25065.9209
10.49_588.2537m/z	588.2536873	10.48828333	neg													1395.093157	1601.177456	1193.594267	1730.798041	1558.274152	835.1664748	1436.220528	689.3655271	1774.61294	1337.657575	1119.468721	1806.979596	1783.669848	1683.607179	1026.312783	1189.58697	925.748948	1118.137787	1308.807523
10.49_630.3871m/z	630.3870502	10.48828333	neg													33044.74832	39301.23799	39623.47494	44132.80924	34437.48137	32626.06089	41208.78113	40595.51841	51841.86157	32063.143	43016.22454	61522.8439	33707.20528	41400.04233	35488.60563	34973.38792	35190.55249	36462.24005	38253.38903
10.49_698.3748m/z	698.3747558	10.48828333	neg													3486.18128	5035.85056	3693.018762	5024.455395	3067.621865	3489.310497	4053.982521	3727.368405	4506.298624	3128.968972	4688.258876	5801.877582	2802.666141	5269.768022	3230.439745	3205.269668	3288.008851	4239.676585	3944.392791
10.49_771.0634m/z	771.0634001	10.48828333	neg													3400.049132	3075.587058	2704.395931	3919.426617	2028.470667	4507.184892	1647.332465	3440.145095	3555.723189	3293.443399	3078.075833	5595.023566	4506.422502	1974.182423	1630.554879	3033.14807	3814.313238	3222.296282	1863.749851
10.51_141.0544m/z	141.0543785	10.50568333	pos													2028.509657	2004.041076	2072.726518	1903.366457	1985.75336	2091.478941	2159.926271	1837.409028	2170.235029	2074.429367	1938.204048	1851.009403	1995.236594	1902.429239	1781.909691	2092.166599	1855.715705	2051.477165	1838.681109
10.51_311.1686m/z	311.1685958	10.50996667	neg													1034.052688	1030.848845	1067.342817	633.5912948	830.9120632	685.4578226	1348.471609	671.0540065	896.0303399	706.9424674	1179.212493	1422.230609	803.0413148	1037.381336	744.8486465	892.3369986	808.3739042	1148.97952	787.9219884
10.51_344.6639m/z	344.6639008	10.50568333	pos													974.4886328	936.7994723	1522.473228	1120.202515	818.4512203	644.9968235	1190.665071	1356.439536	1527.774539	676.9816968	1099.933412	1749.951979	786.4499064	735.4577541	1042.705731	770.4928989	1045.337823	866.0332939	925.6047054
10.51_365.1770m/z	365.1770415	10.50568333	pos													952.6574948	605.4776406	781.4254761	763.506348	338.2521962	509.1823172	853.7592406	608.6685856	1067.506898	555.8799574	1046.67699	1455.290165	997.8972351	329.5002203	685.2276232	528.6960729	911.1794259	675.5318474	777.3840742
10.51_463.0202m/z	463.0201737	10.50996667	neg													5578.1166	4626.058103	6214.769343	5809.048701	5379.26394	4798.354104	5358.761323	5374.926106	5685.813089	5600.545725	5446.040975	5154.834421	4888.189732	5210.284515	5300.439038	5393.963151	5641.485723	6020.119028	5751.552477
10.51_475.0191m/z	475.0191128	10.50996667	neg													9522.069262	11451.01877	10745.9223	11822.94863	12187.91501	11833.67983	11631.42655	11148.44402	11518.39804	12126.39437	11295.01402	10743.12405	11528.39986	10778.115	11486.37159	13002.4789	11384.36635	11518.48703	11608.63538
10.51_507.0254m/z	507.0253665	10.50996667	neg													19380.05158	18357.10323	18138.16428	20214.82844	17211.47942	19526.12878	18665.41444	19836.63959	18774.9989	21351.58704	20790.71911	18249.52731	20550.51491	20428.21021	19607.20998	18595.90809	20034.14031	19260.29369	18460.29034
10.51_528.0031n	573.0189284	10.50996667	neg													16079.20541	15049.28434	16604.09781	15148.54002	14557.33269	15492.53145	16980.5375	14455.19587	14919.232	15750.17336	17030.47363	16517.02843	17742.26473	16554.61753	16582.3435	16750.21912	18447.69375	16897.78232	14495.89976
10.51_552.3310m/z	552.3309601	10.50996667	neg													1588.557894	2648.343377	2201.642954	2618.966936	4192.203523	3568.482621	2443.82704	1696.787668	2459.856061	2795.510613	2855.085258	3262.340891	2263.332532	2216.0319	3641.404411	3354.092091	3035.938065	2922.159731	1630.771739
10.51_581.1380m/z	581.1380081	10.50996667	neg													5979.42248	5877.35474	5910.589774	4900.891587	5703.249827	5719.907507	5250.690082	5669.214328	6534.183423	5823.435766	6087.6356	5144.366273	5984.875662	5810.627401	5781.743374	6128.715861	6154.253827	4952.912816	5411.542548
10.51_590.2505m/z	590.2505135	10.50996667	neg													3334.457613	2818.534977	4005.419764	5770.036178	4925.543629	6414.860687	4620.205938	2219.066218	3892.908314	6462.92765	5134.15671	5241.49554	5816.024807	5637.759181	3983.911923	6288.487807	4322.93739	6690.580588	7060.8986
10.51_631.3934n	632.4006721	10.50568333	pos													62643.16806	64478.9416	64923.83847	68384.18012	55769.95617	51517.17877	65051.45335	68515.60208	92723.35067	46547.75517	74844.05638	110750.6109	58229.24478	73009.79025	60753.11443	55652.4912	63765.53782	66093.91868	63706.77549
10.51_643.2890m/z	643.2890079	10.50996667	neg													68566.20233	58538.99696	66865.46051	84722.54925	79448.67762	116104.4827	79316.31994	20824.72302	27256.73555	78886.57305	71220.59347	29270.20327	116039.9825	129940.6548	78975.77452	77304.57267	73485.64269	70544.49806	123592.992
10.51_645.3002m/z	645.3001855	10.50568333	pos													12062.13565	12865.21527	12839.47639	14797.82471	13074.21129	19371.44629	13235.68194	1889.539802	4191.425661	12311.5989	12842.25002	4344.999851	23850.45706	22258.84046	12511.07743	11684.54641	13141.88719	12502.42113	21053.19994
10.51_687.2762m/z	687.276228	10.50996667	neg													64464.5503	57599.24111	64338.86808	75097.29371	82439.74936	93025.41537	78559.23336	25954.4956	33565.06042	60743.27922	71268.14991	41825.00281	107751.1715	103875.8969	75692.68739	74552.65356	77134.52972	73861.70738	105496.834
10.51_711.2763m/z	711.2762633	10.50996667	neg													3658.199767	3223.886917	3185.412665	5024.330868	4710.767441	7767.52444	4400.255393	297.1032026	818.8063664	5388.380489	4514.397425	1524.76286	7745.549515	10051.49906	5458.285333	4454.091939	3890.165634	4448.555161	8253.471545
10.51_712.0562n	711.0296974	10.50996667	neg													147380.8642	118354.9722	130257.6128	127873.1767	126859.7209	126258.4678	132618.9303	125841.1297	126811.8223	131572.2621	128024.7282	140774.4866	138176.7041	130344.0145	144011.8991	139210.4395	136307.5315	135938.296	131755.2952
10.51_737.0430m/z	737.0430386	10.50996667	neg													8855.016328	7502.350074	9779.31252	11789.8308	7394.045843	10643.98175	6689.46329	8233.034484	5971.188492	6775.060946	9413.794267	8601.886226	8940.838616	6554.709134	6794.656304	8976.181113	9521.822442	8239.718534	8309.893122
10.51_748.0713n	729.0534594	10.50996667	neg													85431.40652	74550.21118	82402.97577	86197.51444	77905.42304	79635.12071	80441.05813	82168.88342	78134.82156	78671.1316	84633.54032	81235.62513	85109.65542	89353.25143	90824.05732	85482.57329	86598.54436	83433.2844	87535.27132
10.51_755.2637m/z	755.2636867	10.50996667	neg													15212.02841	14642.80074	15185.14227	19190.50069	21431.18068	22637.2521	18712.21463	4707.935901	7057.557723	14509.49026	17966.10034	10183.62287	25057.42738	27482.96386	19831.3833	16707.75525	18831.96582	16375.27334	26106.68756
10.51_762.0862n	761.0580415	10.50996667	neg													71591.05563	59330.90868	68348.22774	69255.86262	62509.92314	63309.47653	59389.21622	62659.9224	65155.64714	65797.05812	65365.47845	63476.79262	75654.00009	73508.02303	66609.23242	67906.53878	65774.49847	64250.30027	67361.06123
10.51_823.2518m/z	823.2517796	10.50996667	neg													4568.713915	5340.598272	4696.098934	6113.17883	7229.715236	8680.419198	6829.361954	1272.407173	3368.628824	5055.166647	6185.449915	2726.184438	9140.582578	9530.422729	7790.829938	6041.148482	6407.427721	4008.817765	10104.76759
10.53_295.6482m/z	295.6481534	10.52578333	pos													1265.722405	1189.698681	1462.115406	1112.836934	1508.784158	1047.431134	1359.848711	2092.162264	1893.142004	1284.138533	1729.261797	1589.794845	1527.202228	1639.268237	2090.007761	1369.986918	2019.69293	1871.432975	1396.923292
10.53_296.1456m/z	296.1456451	10.52578333	pos													1186.477053	1208.898526	1601.573666	1325.48635	1510.7707	1254.908012	1007.379671	1371.091766	1723.375428	962.1614627	1052.665868	2296.987119	1642.549207	2181.847771	1853.721123	2055.416575	1974.724292	1604.19496	1325.75798
10.53_297.6478m/z	297.6478274	10.52578333	pos													3604.259686	2790.395531	3789.036293	4030.333163	3512.006848	3298.003846	2944.257446	4170.993038	4849.782526	3261.84293	3625.313601	4144.932929	3649.420929	3533.660981	3241.628471	3776.051741	4469.051193	3840.423254	4148.677863
10.53_302.2139m/z	302.213858	10.52578333	pos													2188.631527	2321.84456	1913.706924	1068.956091	2699.754491	2667.418928	2581.68568	2629.585863	3797.350631	1794.562575	1468.997961	2689.44163	2945.101399	3065.955639	2290.00855	1858.614769	1767.095009	810.7407932	1671.21867
10.53_317.6593m/z	317.6592729	10.52578333	pos													4050.009678	3498.532509	3171.719429	3916.104238	3581.893838	4173.484885	3412.089557	4046.99164	4724.502202	3163.340019	2733.607602	4346.35921	4183.867506	4013.074382	5025.898977	4601.704095	4428.473161	3968.878641	3413.433442
10.53_318.1610m/z	318.1610002	10.52578333	pos													668.2275863	519.3266967	592.6566973	711.2903711	438.0100348	786.8283191	584.5264419	964.3643172	910.3574865	652.0752479	715.7939582	1204.670497	634.4205593	871.8235996	1154.503754	780.4813436	1084.466554	869.8525235	705.7630969
10.53_339.6163m/z	339.6162672	10.52578333	pos													2461.129033	1966.941689	2371.6626	3003.168495	2939.155224	3623.853619	3482.779592	776.6764347	724.364573	1729.471363	2801.248755	628.9006919	3006.701049	3645.229864	3480.084833	2256.942459	3058.909492	3424.871085	3992.518085
10.53_359.6279m/z	359.6278553	10.52578333	pos													2500.546796	3059.608939	2977.25038	3013.889779	3258.699427	4153.801066	2971.581409	893.1814094	1237.376938	1944.834066	2616.33861	1266.379034	5069.899515	4965.164772	3810.913093	2859.571399	3875.545455	2680.96668	4114.046104
10.53_481.3127m/z	481.3127466	10.5305	neg													477.9406053	408.8707904	349.6996916	438.0430226	628.7754968	319.0455591	595.6425363	268.5330209	779.4780027	186.7041636	425.4191432	738.7529446	562.7734637	301.4614072	616.2384462	517.0899216	708.6060292	609.8571232	563.1460281
10.53_501.0350m/z	501.0349586	10.5305	neg													16146.33465	16316.1578	16700.92418	16729.70522	16014.01544	15704.62768	13910.14959	15573.0037	16312.57578	17804.23082	16469.62483	13898.08933	15324.38471	15957.10587	16346.86742	14491.86741	16944.26923	15615.32329	15002.72822
10.53_512.9994m/z	512.9993602	10.5305	neg													3205.335652	3179.566278	2184.633062	3027.155544	3223.932671	2899.131722	3343.119192	2329.72411	2766.212391	3431.958612	2971.025954	3812.435512	2803.56339	2658.487085	3537.908083	4076.668438	2670.85628	3212.3391	3363.255839
10.53_514.0267n	495.0088435	10.5305	neg													87936.04338	86598.89149	86496.85625	92338.41199	88971.72828	87819.35742	81830.8152	87415.33954	88304.22467	91704.43571	95519.99122	83630.23944	86153.43144	86199.47222	88321.66074	91259.94665	90537.39099	87807.00757	83151.59339
10.53_531.3059m/z	531.3059401	10.5305	neg													2583.474392	2274.493211	2105.642708	2957.248483	2932.799956	3296.322275	2665.091445	3010.375321	3515.135244	2400.790251	2479.409629	3679.821295	2495.368001	2683.758561	2755.233714	3147.798582	3316.578628	3242.957856	2883.396048
10.53_558.3242m/z	558.3242219	10.5305	neg													996.1426861	709.4264294	743.7093679	1115.010117	791.5693851	925.4418532	1002.6181	1281.807891	1272.692769	870.6928211	867.9650016	1224.100176	957.0998535	548.0739746	658.0301528	1054.922045	919.3594146	816.1154517	914.4452209
10.53_559.0194m/z	559.0193854	10.5305	neg													30619.7614	26933.77638	27976.23497	27859.6516	25038.67726	28436.44958	29882.76606	27859.0233	29112.19436	30630.64727	31713.38528	27562.32554	29860.56811	28530.19002	29539.76928	29396.64896	27939.62532	27168.99957	29659.83612
10.53_566.2501m/z	566.2500569	10.5305	neg													18818.17878	18682.13671	18216.22698	28991.60965	22140.43441	23193.45445	24415.95272	19026.63667	21444.64294	28047.99438	27671.97573	21752.14996	21425.37998	20137.91799	25523.41957	31740.67989	28594.48275	30483.42888	28657.8421
10.53_586.0072n	567.0093101	10.5305	neg													147229.1883	124732.9187	137303.7288	138351.4791	132947.1742	138615.019	136519.9897	132416.9919	135477.2373	138714.5242	144094.9026	134655.5616	144153.1562	144996.5873	142198.0761	140807.7474	141336.8722	142070.1911	139111.2754
10.53_586.3088m/z	586.3088057	10.52578333	pos													11603.37767	7496.883144	12521.69146	10123.74519	13052.9691	11263.90116	11696.17236	14353.6645	18208.38684	10814.06091	10225.48117	12303.89289	7948.285976	9782.464647	12425.32583	11480.02774	13567.02474	12698.27269	9899.193684
10.53_610.3235m/z	610.3234612	10.5305	neg													2710.67771	3271.291356	2270.170303	2392.106813	2985.803258	3148.025652	2786.749057	2492.56405	3293.769842	2737.964014	2469.736842	2786.132172	2964.578564	2321.646136	2686.172189	3063.685016	2612.928345	2761.767689	3116.99649
10.53_613.0298m/z	613.0298419	10.5305	neg													49366.65845	40250.52775	46476.77262	46950.90467	43475.56396	48323.60552	47693.83505	42143.27438	45833.99579	44975.39942	42478.54895	48278.54365	49689.51365	47953.64081	48714.53815	48099.63229	47833.93381	46109.17901	48426.88652
10.53_618.2462m/z	618.2462089	10.52578333	pos													7976.271216	6829.428796	7681.21808	8931.614764	7254.349627	7312.608216	7196.270481	8605.881528	9880.579336	6459.367063	7445.703353	7285.225154	6525.964801	4856.43723	8294.101235	7271.448544	7729.498842	8568.335117	7267.891183
10.53_620.2952n	621.3024748	10.52578333	pos													348637.4349	381613.2779	358612.9794	402222.2689	421241.0747	443250.3436	406335.6207	160379.8548	194532.6127	299107.456	362488.1942	229180.1334	532325.1441	531174.5404	434539.2521	374655.3532	443444.8066	402530.9213	532541.5857
10.53_625.3084m/z	625.30841	10.5305	neg													1083.301715	1137.988161	627.8561304	1143.524394	789.1990693	871.4328635	1208.724057	1067.931566	1824.711747	451.1944234	781.543594	991.2968296	1177.323031	476.6096336	1035.322455	1386.933449	1361.161019	1516.277572	892.1801663
10.53_629.0180m/z	629.0179523	10.5305	neg													13919.33201	12423.37115	12153.89705	12894.28592	12449.49078	11494.88532	12146.04389	11766.466	12361.86733	11932.67406	13451.65044	11215.12422	14675.81643	11921.31404	11665.78094	12921.8044	13384.04303	13136.12118	12836.49075
10.53_634.2377m/z	634.2377265	10.5305	neg													5626.179225	6496.856642	6023.150203	10657.76445	7642.256596	6192.42249	8242.217003	6500.619507	8424.065014	9254.476608	8143.222091	6755.485656	6372.359226	7407.869246	8410.505754	10752.71609	8717.332668	10137.84041	8414.482681
10.53_661.9372m/z	661.9372156	10.52578333	pos													1507.578525	2470.700536	1672.882401	2047.427745	1479.318872	1313.903581	1380.753749	1245.447676	2981.196212	1749.794135	1263.018049	6123.955408	0.000297236	902.1291229	394.1920469	570.3562512	441.0372603	447.359136	1244.933554
10.53_664.0545n	663.0270545	10.5305	neg													140815.4992	128651.4636	137569.1416	144929.5287	130472.127	132544.8979	131023.3965	130065.7778	133969.0464	136145.6181	139047.9712	133096.5568	143165.4479	132116.8481	131893.851	143568.8315	134921.2637	140376.523	130833.0624
10.53_677.2220m/z	677.2220328	10.52578333	pos													10307.66369	11333.7218	10156.59581	10392.37483	11821.30787	14302.516	12901.8073	4013.776765	4199.974553	7256.011364	10536.42691	5053.467654	15191.52722	16982.4038	15281.38914	12227.33121	12629.38771	12949.59228	19377.63462
10.53_677.3092m/z	677.3091955	10.5305	neg													4293.268258	4377.778749	3736.536919	5274.539294	5157.910881	5198.144472	3828.078507	4998.11594	6594.922747	5307.304381	4774.471815	5458.814301	5395.58563	4789.923437	4907.851172	5740.561924	4709.38018	6260.246561	4155.199011
10.53_678.0716n	677.0435695	10.5305	neg													58195.75042	48493.06545	50093.53413	52274.14065	47103.9973	51493.552	51330.91588	54184.63737	48272.25097	51716.21303	50829.86792	53292.9103	55033.09009	54761.61186	50218.18125	53638.73935	54408.56329	55705.95734	50824.54933
10.53_744.2935m/z	744.2934724	10.5305	neg													6423.221298	8105.85112	7358.23911	7392.564632	7263.689979	8930.481407	7786.916918	8429.926965	10478.66125	7764.46396	6917.725157	9026.450389	8948.999861	7912.462418	7892.63592	9673.561422	7867.09101	9449.537496	7467.723713
10.53_880.2683m/z	880.2683014	10.5305	neg													1779.017692	1603.893924	2532.513641	2442.074625	1845.81195	675.2309298	1925.970483	2727.414999	2338.759853	2012.180912	2051.797655	3318.417426	2204.082558	1130.006819	2031.895681	2623.111237	2362.864664	2196.252243	2350.522447
10.55_301.6042m/z	301.6041514	10.5469	pos													3384.655672	2866.130878	2735.367907	4142.799043	2651.266661	3333.645156	2925.532396	2264.1166	3102.534422	4006.296797	3637.198979	2185.253066	2315.743934	1729.304265	3538.719055	4155.281953	3371.58792	3779.49038	3776.899116
10.55_392.2631m/z	392.2631346	10.5516	neg													370.2884443	377.853183	475.6842854	525.8263687	1018.540167	520.5590333	664.4955132	114.3786276	91.16845939	514.6843133	512.8896981	483.6222086	1125.888467	1385.956698	680.6362895	778.8200087	714.4867642	451.2584551	979.6801372
10.55_393.0158m/z	393.0158385	10.5516	neg													1369.787462	1880.486033	1441.94413	1482.021614	1389.43497	1582.76142	1603.567796	1584.657449	1652.690972	1587.630863	1633.019637	1453.147176	1842.498037	1669.287219	1318.289704	1484.997467	1644.793121	1909.177288	1546.049906
10.55_428.3635m/z	428.3634813	10.5469	pos													5308.152532	5786.571322	6212.850883	6028.512053	7532.182924	8681.019551	5951.363969	8809.097446	9176.709767	5535.227705	4992.41789	9523.188632	6651.651482	5438.808104	4498.457551	5483.561107	5801.793991	6348.464265	5228.58861
10.55_428.9974m/z	428.9974298	10.5516	neg													4294.902554	4689.2792	4474.727349	5109.810721	5300.158227	4040.874554	6544.577842	4892.350068	5206.773415	5279.568315	5131.443408	4833.314816	6003.908858	5541.122195	3999.441584	4688.165836	5288.912204	5495.67511	4871.477958
10.55_493.0296m/z	493.0296393	10.5516	neg													1155.626176	917.4688288	734.9894899	1190.02884	1708.454406	1055.945986	1335.079124	1590.197288	410.2531245	1236.54184	1834.539076	1317.433918	1538.155401	907.9862585	665.3429429	1510.869876	809.462789	1027.388882	1141.51009
10.55_504.0418n	549.0169335	10.5516	neg													124310.9724	117167.0731	117713.3391	121202.32	121294.3735	119411.7498	124106.3017	121070.0887	123563.2395	123691.6228	131524.9365	119387.3433	126889.1361	126024.9472	124398.4785	127485.3834	126288.8406	126899.7207	125497.1309
10.55_514.9953m/z	514.9953354	10.5516	neg													6786.450872	6102.764389	6316.259568	6231.296586	7424.248044	6624.131684	6136.619853	7064.425835	7115.762982	7699.001845	6150.561313	6427.298497	7087.913082	7442.930119	6849.80234	6397.404604	7306.483797	7593.744067	5436.713709
10.55_533.1204m/z	533.120409	10.5516	neg													657.4404323	564.5920844	746.521025	494.2026787	617.6820968	877.1812408	603.0893604	519.6723092	647.6847651	701.916873	791.759642	281.652392	0.000297236	780.2674393	0.000297236	288.785789	540.1301743	348.9338211	722.1675874
10.55_538.3359m/z	538.3359076	10.5516	neg													1589.683103	1173.906423	1306.886077	1099.982549	2337.692799	2117.851638	1815.170162	2577.777535	2631.573131	1302.957587	1449.32188	2405.825435	1940.755261	1363.232059	1044.831299	833.0409087	1410.229636	1390.150072	1475.502227
10.55_553.0163m/z	553.0162854	10.5516	neg													41024.03148	36030.20566	39423.71422	39378.15702	38509.82682	38228.163	36918.92277	38871.71208	38816.55873	40052.0778	38772.06117	38472.59625	42412.34095	40727.1437	39259.54741	41518.2568	42461.0692	39344.34935	39699.01238
10.55_566.0209n	547.0030369	10.5516	neg													47517.50872	42466.7491	44452.33848	50428.95325	44925.39612	46995.46409	45635.08499	41234.46176	46890.46806	45935.63234	46066.19221	45921.86687	52477.77584	48513.3875	49043.13493	53573.35785	47928.05971	46448.27995	45614.24193
10.55_594.2819m/z	594.2818642	10.5516	neg													1513.849684	1136.173159	1552.596603	1900.537537	2128.370703	2296.923042	1401.676716	1321.423285	2515.625015	894.6246146	1980.425396	3549.693774	3095.983902	2629.609946	2328.310903	1312.282177	2100.845595	1742.168835	2490.39948
10.55_625.0274m/z	625.0274314	10.5516	neg													55348.73911	48746.73008	52336.75451	55479.69921	49258.4162	52018.55518	46059.50669	45740.85794	52352.86554	49692.94153	54429.76304	54034.59272	56109.45716	50912.11714	53548.37208	54301.54689	53507.41325	49760.52785	53821.98934
10.55_775.0406m/z	775.0405933	10.5516	neg													47180.75865	39537.68861	43738.14835	48507.89614	40860.82886	44645.16688	40656.41388	45658.08032	45883.05289	44511.89974	42651.49555	49159.48676	48866.47358	49257.87892	45928.96882	50373.82612	48109.17595	49469.94325	43530.68077
10.57_297.1527m/z	297.1526811	10.57313333	neg													72789.20057	72779.23398	73439.17917	59425.0229	56640.25168	54642.21409	66654.6885	56332.99185	61321.64344	55452.51774	67425.21721	64625.57816	57133.79151	67088.03181	57765.52139	55842.24709	60478.78817	65737.64842	62625.3438
10.57_301.6406m/z	301.6406097	10.56793333	pos													2748.272558	1998.818301	2757.431072	3258.364989	3501.801465	2609.46927	3582.731147	1569.040762	2867.79508	1388.934463	2433.857768	3380.785769	3411.167827	3860.566327	4093.265672	2750.19639	3279.603718	2916.919562	3666.043438
10.57_375.1459m/z	375.1459416	10.56793333	pos													644.2139525	466.7428322	696.2638196	266.2759853	298.8749708	996.9497515	555.3093172	767.402685	292.5293691	876.6371022	477.8511256	307.1816859	451.5956259	387.8356967	720.3309475	607.2925255	770.0810895	656.7221489	1687.244064
10.57_394.2769m/z	394.2768529	10.56793333	pos													16616.73141	13852.04699	17572.27345	15251.7011	19167.37726	18204.96073	17676.51127	11459.88001	12192.63802	18351.48351	14640.85208	9997.774336	17891.17188	18804.89245	18809.29127	20213.82258	17874.44568	17207.69438	18354.60437
10.57_408.2925m/z	408.2925192	10.56793333	pos													8200.78033	9117.083399	9874.547911	8618.969603	8546.886681	8244.813695	12621.32317	9588.038015	9182.554252	9071.205043	10498.26187	9185.435754	10324.13273	12478.11587	9788.365629	10293.574	10107.1612	9380.318915	9989.134009
10.57_470.0167n	515.0165648	10.57313333	neg													49648.00119	48660.62576	48344.06129	52142.44095	50459.82686	51042.58156	52677.75121	49535.06817	51203.65709	51244.52391	53415.10221	47585.19088	49429.04827	48195.2337	50727.28675	52572.25279	49342.95337	53239.24612	48641.73379
10.57_471.0083m/z	471.0082944	10.57313333	neg													4892.688529	4101.139894	4015.422971	4829.487814	4784.597231	3659.125073	4628.521501	4850.905906	3807.476047	4004.175674	4358.413035	3636.678326	4032.886712	4342.599535	4352.393796	4322.307565	4670.145255	3621.680849	4427.826372
10.57_478.3248m/z	478.324769	10.56793333	pos													7513.540859	11907.27812	7323.764431	7679.825923	7575.218353	6868.453128	17210.5521	8446.902772	6552.287306	8646.80811	8073.674948	12136.69371	8786.088398	7049.206152	10072.89808	8143.206161	7190.851953	8083.593261	7942.192798
10.57_571.2911n	570.2824804	10.57313333	neg													27691.59246	24525.09046	25334.22041	34857.20006	28267.92058	31421.89696	33355.83591	11867.63731	17961.80608	25172.36055	30590.03738	22015.55555	40191.37651	35204.46471	30938.33767	33299.90013	29316.88638	28291.15871	42754.82023
10.57_598.0071n	643.0221105	10.57313333	neg													76158.32969	69771.7971	72118.52425	71897.40277	71003.32375	71375.73426	68834.6506	68873.41644	71920.04761	72154.36748	74477.10243	71500.06548	69965.63899	74175.75019	79121.32428	74896.24775	74282.07335	77153.03466	71119.933
10.57_607.0231m/z	607.0230533	10.57313333	neg													30481.39482	26892.97119	27277.9506	28581.49544	26020.71255	27778.32321	27387.40317	24443.68467	27837.39621	27337.81299	26529.02336	30463.71179	30796.72929	28931.4323	27392.72601	30699.50363	31258.2025	27518.74994	28793.13702
10.57_623.0170m/z	623.0170257	10.57313333	neg													29082.25164	25745.57696	26034.58501	27526.52499	24966.05383	25897.70353	24921.12878	22628.27501	25067.42048	27226.95901	25906.78045	27467.4555	25424.50043	24991.20283	25469.16098	29664.06715	27430.06306	27947.91398	26961.66397
10.57_659.0140m/z	659.0139721	10.57313333	neg													10748.76012	7947.274628	9808.223839	11974.69788	8387.768832	11598.82887	10021.66656	9681.415887	8356.182561	10066.32063	10066.21479	9614.554305	10107.64969	11826.86709	10163.95467	11885.39387	11271.60397	8723.981753	11037.36044
10.57_962.5350m/z	962.5349859	10.57313333	neg													25288.32914	33150.18555	32588.94338	28993.34353	27073.49899	27330.82811	28835.20018	29997.76181	29318.35786	30300.23744	35459.42882	28844.24727	27056.46598	0.000297236	29559.63733	33458.02117	35815.47507	29841.9046	27454.03082
10.59_183.0096m/z	183.0096263	10.58955	pos													8936.940439	9222.370511	8827.166428	9131.783928	8299.609053	8204.425478	8466.712337	8778.174882	8251.148023	8853.670404	8378.248198	9840.562574	9310.115603	9920.390781	9482.485554	9328.880034	9227.873641	9709.92056	8591.859747
10.59_259.1647m/z	259.1646915	10.58955	pos													8290.762081	8413.068449	7214.597901	8297.175918	8253.022973	8185.732003	7858.591576	8178.117544	7409.8567	7343.792935	8314.441001	8020.836014	7765.300542	7913.998595	8922.985771	8139.343559	8547.166679	8508.833428	7609.6692
10.59_375.2363n	398.2255363	10.58955	pos													108945.8583	86759.1125	103063.7343	109457.8402	104762.8828	100142.8066	106734.2428	106257.401	103187.1821	101211.1385	109224.548	87067.53743	94793.53349	103223.2773	108721.8325	114783.9876	111221.9434	113121.1637	105024.8168
10.59_400.2314m/z	400.2314023	10.58955	pos													1409.758859	1498.860854	1340.285002	1510.48106	1284.81832	1443.495822	1416.127866	1263.237508	1234.40172	1399.418723	1272.51993	784.4765726	1279.16449	1603.497405	1554.557413	1079.741392	1440.944427	1326.704712	1788.122801
10.59_421.3016m/z	421.3015994	10.58955	pos													5320.555103	4165.502683	5291.706139	5701.215289	5630.858821	4713.768244	6157.45505	5229.261024	5506.133008	4590.835683	5807.342719	4224.003	4449.594335	4765.42644	6087.990169	5222.84411	4961.113659	5739.474237	4225.673683
10.59_449.0042m/z	449.0042174	10.59338333	neg													5831.20108	4664.865494	5366.234969	5970.648331	4709.574769	5339.647451	6503.92315	5953.444118	5762.498343	4814.318099	5754.364242	4711.440605	5243.92005	4989.324107	5129.259431	5040.809475	5351.737223	6266.493491	3923.137691
10.59_461.2899n	462.2972068	10.58955	pos													57688.15648	60099.01055	57720.13773	49663.06706	38678.56191	36513.34006	58088.20432	127350.3523	123199.1062	29599.18376	49979.43841	118354.5627	34029.3741	30772.85457	74152.89935	69572.14467	78652.17827	67388.50294	30140.43432
10.59_528.2727m/z	528.2726581	10.59338333	neg													17982.93499	20575.24825	22075.94091	12481.27121	15711.46335	12909.51755	16112.4929	14236.8147	13230.81688	12606.91343	14722.89496	13616.82668	11880.47297	11126.05391	14809.0224	15400.25678	17895.7918	12544.73124	10728.775
10.59_593.3398m/z	593.3397675	10.58955	pos													1753.874274	1483.444452	1501.165889	1583.637258	1476.290554	1322.322199	2197.733305	1259.737204	1842.468144	2210.053165	1706.915202	2605.040998	3310.142066	1294.385894	3470.142689	2451.68365	2316.314425	2266.949675	2914.812763
10.59_596.2596m/z	596.2596114	10.59338333	neg													1907.627639	2132.979288	2446.778018	1110.466094	1562.058277	1289.190603	2207.654051	2217.428609	2523.840462	1096.704472	1881.090036	1990.154891	1074.645449	1098.239415	1826.763127	1313.083301	2301.03876	1678.634473	811.6552912
10.59_640.3264m/z	640.3264363	10.59338333	neg													5111.706968	6407.120938	6203.077541	3079.545232	4405.836219	2749.518894	2881.205101	772.4819304	1755.657833	2670.053323	4153.537353	1293.210662	3782.154565	1734.640591	3208.871712	3069.10076	1990.008316	1517.152187	2835.516867
10.59_759.0434m/z	759.0434146	10.59338333	neg													40972.15285	36834.41002	39974.31011	40005.35473	38054.7806	39886.58299	36906.44656	39267.50917	38449.56636	35104.53158	36704.09765	36877.82165	39820.37924	36630.55515	40674.00753	40143.61506	38858.54367	35500.10892	40532.63398
10.59_760.0712n	741.0533678	10.59338333	neg													28479.34885	20755.02831	26390.99024	22517.55439	22394.53027	22094.00706	20679.18614	21351.78614	19623.08261	19489.52375	25899.1135	24040.83154	31480.24898	24875.0335	23782.50877	24128.1287	26776.84146	26560.72306	31004.81197
10.59_807.0481m/z	807.0480801	10.59338333	neg													12168.75193	10314.55748	12095.59625	16091.20165	9276.838885	9028.872263	9856.255892	11017.27435	10128.58334	13364.37499	13619.23164	10252.67504	14957.18222	13848.53075	13642.85291	13520.90547	11807.72018	13594.59851	11339.14006
10.59_897.5636m/z	897.563648	10.59338333	neg													14773.97863	11294.90718	7997.156884	8125.019172	9458.256315	8915.681971	13188.0133	10295.25618	10078.05281	14517.41799	11226.34191	7145.22353	7887.075736	9874.924215	9037.492095	6494.75177	8174.745323	11831.55304	8042.743261
10.59_921.5649m/z	921.5649042	10.59338333	neg													2162.705681	2013.11234	1874.298737	888.2383277	1200.101524	389.6196985	1167.912439	1949.37954	1284.892069	5313.101201	6089.924491	2601.410511	1911.996529	0.000297236	382.7921058	382.0526218	3581.04131	2546.914995	2098.822877
10.59_923.5814m/z	923.5814482	10.59338333	neg													3213.482817	3636.20245	4959.018507	4870.010595	4523.264468	4731.772926	5007.147486	4764.830672	5039.524912	6331.049505	1959.070566	4706.006244	4699.129907	3728.083787	2526.144066	5400.045972	2749.369933	0.000297236	2867.607732
10.61_325.9367m/z	325.9367338	10.61115	pos													6653.802455	5242.875153	6009.250776	6234.217987	6247.380673	6517.898851	5353.571859	6970.850006	6046.831658	5764.938452	6098.88501	5538.549527	4824.482111	5846.277756	6434.694568	8280.576915	5721.727132	7550.381592	5599.544056
10.61_339.1996m/z	339.1996323	10.61446667	neg													1241.66888	1832.777917	1901.002746	1900.242424	1672.353355	1641.893271	1604.147863	1556.816999	1384.564847	2223.14192	1905.976762	1787.115602	1827.931311	1892.045172	1658.751961	1536.085907	2063.097209	1942.964661	1458.422275
10.61_433.0107m/z	433.0106903	10.61446667	neg													2117.087396	2648.406685	2331.874316	3063.932558	2715.696083	2372.321841	3081.021531	2758.007188	1730.400142	2639.689864	3118.37727	2616.82941	2218.295308	2142.088167	1886.228107	3229.574758	2396.397345	2940.954312	2024.117541
10.61_531.0081m/z	531.0081349	10.61446667	neg													7565.597367	5699.405242	6343.778992	7012.823448	6000.940198	5462.933279	7268.957877	5309.673499	6261.153635	6400.009738	5943.214924	7662.829614	8037.308362	7371.09148	7115.263854	6108.076035	8111.1535	6499.880071	6834.99911
10.61_535.0016m/z	535.0016175	10.61446667	neg													11404.95386	10158.1769	10802.12006	12074.41375	9996.6169	12044.12346	12122.73015	10285.64275	10708.86537	12182.73131	11019.7827	10545.80181	10900.2629	11284.94019	11250.42873	12389.94319	12065.40108	13729.01636	10108.42529
10.61_565.0468m/z	565.0467943	10.61446667	neg													9893.193003	8341.572085	8583.456053	9371.654497	7699.170106	8911.288404	7730.944115	7521.868769	9007.111334	8127.704623	9323.827406	7649.445758	8646.39574	8930.30981	7987.91737	8677.303237	9451.475183	8679.565924	9424.279969
10.61_597.0559m/z	597.0558932	10.61446667	neg													2263.801646	1652.364734	2068.060031	2042.614293	1692.569744	2989.563159	2047.089978	2207.115194	2629.173477	2766.877733	2469.749909	2249.953138	2873.146529	2710.336135	2235.263318	2576.478338	2366.307075	1936.971315	2190.377479
10.61_723.0266m/z	723.026572	10.61446667	neg													4345.731165	3175.276418	2653.029941	3010.155758	4245.728081	1147.280976	2182.464295	1161.534802	3943.697301	4204.628351	3674.531077	2415.727329	3110.617974	2598.37849	2947.774267	5941.604269	1643.512632	2831.432774	2771.362607
10.63_274.6244m/z	274.6243842	10.63191667	pos													1351.670248	1939.857698	1569.651867	1825.05699	1724.080731	1990.160589	1185.67315	629.5103373	1162.691113	1474.54623	1588.866492	1089.775434	2069.53977	1577.003246	1549.081781	1309.191367	1312.779302	1503.272971	2277.327772
10.63_276.6243m/z	276.624294	10.63191667	pos													1846.020897	1870.485632	2044.513336	2809.488651	1970.871984	2143.408019	1684.331719	988.1288463	1477.31799	1662.216302	2049.37029	1986.755192	3071.646735	2552.449053	2147.647351	2200.162138	2139.344739	2506.873514	3322.848694
10.63_296.6358m/z	296.6358211	10.63191667	pos													15430.24486	14099.24061	16457.31853	18589.01971	16268.35283	16898.69573	14953.8357	10076.19732	12381.71933	12453.61994	13417.78979	14436.22076	20451.86562	19390.06936	16076.16036	17176.64623	15321.79792	14849.42797	20141.32437
10.63_482.7541m/z	482.754051	10.63191667	pos													925.9909832	825.8090949	682.148241	1784.186074	1519.569161	2803.306193	1414.060594	437.8247761	599.5547129	948.5529822	1042.493577	1614.89659	1707.138558	1751.632306	1298.476361	1694.600722	1110.964633	1458.517153	2373.772172
10.63_498.2560m/z	498.2560194	10.63191667	pos													13838.97313	7977.417059	12604.78455	14423.40066	13810.51116	12416.54714	13420.13004	7998.546075	10062.17793	10079.51186	11842.58112	9282.443537	10632.97656	13175.45658	13812.04223	13819.69341	13022.61027	11357.83255	14949.13027
10.63_510.2121m/z	510.2121382	10.63191667	pos													4088.415869	2721.47091	3808.225976	4860.103982	4451.851035	4086.563195	4402.466145	1169.027302	3843.65918	3538.753728	4075.259672	3173.391073	3237.399631	4952.568551	3021.893082	3400.181942	4885.760263	4166.386098	5051.828765
10.63_551.2382m/z	551.2381532	10.63191667	pos													2572.426708	1922.953028	2021.239655	3215.529431	1885.993663	2910.189374	2484.698801	1163.471688	2330.581401	1746.328022	1771.015696	2310.830067	2787.48874	2859.955005	3521.126704	3263.452287	2182.413626	2277.543432	3809.752804
10.63_572.3339m/z	572.3339353	10.63191667	pos													9222.583058	5966.799428	8085.324234	4171.890633	11550.98659	7512.808128	6407.510237	3424.577728	2724.765653	7276.261746	6478.415804	4081.325668	3400.516078	3757.451665	6996.653282	8997.670905	5437.751659	3549.355151	3516.39041
10.63_777.4576m/z	777.4575886	10.63191667	pos													14509.43876	19207.61333	17764.79731	23586.10785	15516.59554	20316.48459	16484.78846	11320.57957	7786.360477	11521.57716	15404.50698	29440.20872	24649.2407	20584.93548	20230.53788	16557.00669	20758.37385	19933.51483	17207.70818
10.63_900.5661m/z	900.5660988	10.63191667	pos													6138.859718	7924.930625	7292.120408	5203.957691	3741.509776	3607.648781	2696.893047	6467.777542	4744.86536	4920.141561	5187.501879	18897.07712	14259.93312	16428.17786	21851.03238	6206.763198	0.000297236	538.6868878	2736.44302
10.63_907.5760m/z	907.5759727	10.63191667	pos													26707.65425	25851.97475	31427.61962	33647.17984	30052.26629	30147.03252	26121.04446	9671.787944	18616.65569	19061.63218	25220.8097	21298.67431	40586.12154	42110.36321	28837.96635	32211.84251	31938.01099	28762.94293	41687.91629
10.64_1154.8446m/z	1154.844576	10.63623333	neg													6504.195244	5860.921119	7040.482148	6530.672476	7433.156294	8428.439829	7412.413368	1442.255448	4822.295808	6084.731735	4846.231933	0.000297236	11855.55292	12416.41436	8629.282723	7014.264624	6341.14046	5947.208833	8399.378122
10.64_255.2312m/z	255.231173	10.63623333	neg													1670.545188	1566.522816	1265.355869	1755.402908	1853.722195	1930.952138	1216.960139	836.0197892	1517.911409	1465.541211	1448.619027	1709.580202	2237.397319	1882.622643	1403.251015	1671.164338	1731.887899	1344.994613	1868.332606
10.64_452.2526m/z	452.2526441	10.63623333	neg													483.0998939	288.966069	350.8843536	992.1547981	0.000297236	1011.069251	776.3750309	454.2208538	336.2529717	0.000297236	176.6675224	847.171754	1815.482185	1326.440629	672.606315	994.7436825	1038.112579	758.1580858	1439.516069
10.64_455.2862m/z	455.2862411	10.63623333	neg													2833.072817	3011.030938	2679.906419	3121.223272	4105.186436	3900.917942	3899.533875	1722.731882	2961.107082	2940.543987	2478.314692	2205.216398	4320.331802	3572.290791	2761.390877	3201.653385	3374.070694	3714.01148	3926.568105
10.64_461.0047m/z	461.0046504	10.63623333	neg													13537.14363	12878.85638	14723.46199	12829.3305	14002.68664	14524.74095	14889.45449	14411.63916	12679.15691	14051.51106	13097.87648	11658.00183	12221.82787	15157.58122	13786.32899	14328.52505	15431.99892	13804.26588	13588.60711
10.64_481.0110m/z	481.0109507	10.63623333	neg													9651.793237	10381.29938	9947.334537	10783.45101	9848.60511	9479.948505	11375.94695	8619.267287	10194.13503	10305.2224	8773.181327	9010.99906	8240.648428	11177.79767	8460.584604	9082.667825	11854.9994	9371.174323	9064.700291
10.64_510.2364m/z	510.2363532	10.63623333	neg													3819.761188	4692.655166	4284.889317	3891.35931	5103.025667	4663.669663	5089.020473	1681.719935	4111.925576	4142.606527	3550.358719	3741.770118	5641.67131	4984.583878	3407.827924	4158.107184	4853.417804	4152.321002	5709.949401
10.64_515.2740m/z	515.2739865	10.63623333	neg													2793.015523	2457.803177	2039.041138	2888.921454	2667.535136	2522.336357	2164.150546	1065.148385	2122.495776	2466.241441	2398.196272	2305.736242	4286.099524	3483.355385	2863.174288	3021.110217	2376.063814	3160.606802	3176.278945
10.64_537.2563m/z	537.2563409	10.63623333	neg													2752.787792	2924.204859	3125.020714	3345.203836	3331.9076	4165.676294	2444.742276	1830.261923	2825.611658	2331.506348	3136.115492	2449.93012	4926.370329	4475.761356	2329.451978	2970.594636	3280.644427	3258.748003	3869.526674
10.64_552.2036m/z	552.2035903	10.63623333	neg													10942.78824	10203.80809	11744.53665	12562.28908	11547.13258	13207.0791	12573.11666	6975.792468	8596.325918	10549.80867	9806.605351	10370.08814	16948.49362	13612.28234	11173.82815	10814.95565	12479.7143	10994.99245	14896.53865
10.64_560.0208n	605.0062165	10.63623333	neg													37409.32815	30796.43807	33419.78729	36931.04869	31785.57449	34023.01442	35369.73781	30812.21973	33938.7245	34756.78365	33152.85312	30097.68985	36452.77868	35879.22281	34505.64529	35132.61996	35592.02911	34808.16255	31137.72018
10.64_588.2534m/z	588.253404	10.63623333	neg													28675.73858	28930.37537	28299.60827	35365.45776	32779.35234	35248.24624	33973.95881	20636.82802	27201.47869	30120.89815	29295.39557	27889.7095	43414.22125	41211.86577	30234.53691	31764.7069	33585.0026	30996.37193	40332.38305
10.64_592.1963m/z	592.1962597	10.63623333	neg													3515.632166	3774.219897	2759.957543	3057.051831	2629.046312	3215.902889	3725.644291	1920.596527	3096.912337	3080.492215	3033.453975	2368.167989	4347.283275	3983.561423	2351.354091	2779.372604	3316.936689	2888.217869	3588.871013
10.64_600.2091m/z	600.2091468	10.63623333	neg													4018.010625	3521.420797	3803.268031	4885.435677	4170.922386	4448.673505	5485.064275	2426.629896	3146.808651	3024.560706	3926.205991	3140.794279	6318.228304	5051.532818	4061.758998	3569.860687	4673.944615	3566.112834	4780.486614
10.64_605.2439m/z	605.2439073	10.63623333	neg													655.6969914	1057.656914	895.5805532	1103.07713	932.64447	924.8025725	968.9113325	531.2307484	823.0913735	1383.339997	911.0022523	574.0762418	1531.42749	1550.427981	916.562173	942.7783305	1358.77876	631.8407028	1492.521022
10.64_616.3255m/z	616.3255268	10.63623333	neg													5320.388417	8180.53176	7122.996441	2949.748422	5860.174585	4284.757623	3434.501645	1947.326327	2123.939294	2950.598654	3580.526543	2989.222215	2460.751957	2214.001323	3231.730018	3107.625304	3434.438997	1798.333763	1808.448405
10.64_640.3462m/z	640.3462335	10.63623333	neg													2206.086906	2769.254725	3518.115681	2462.262162	3306.69347	1526.188951	2252.450772	4003.84294	3367.871781	1238.457832	1397.957174	4458.000584	2936.372879	3830.889812	936.2345864	1577.757188	1803.557556	2998.800966	1141.569487
10.64_641.0214m/z	641.0214285	10.63623333	neg													15924.50623	15308.02466	15649.0648	18978.68144	12607.68523	17691.60499	16616.22434	14932.06583	15831.02692	15043.75592	15651.16574	15877.76853	15944.394	14503.33863	16921.90216	19022.76455	16391.88026	16705.21685	16606.63314
10.64_645.1508m/z	645.150817	10.63623333	neg													12944.11562	13075.30439	10805.34232	12454.74236	11255.0597	13478.78707	11929.56901	12963.56211	11747.18379	13882.22326	14710.50511	10851.58076	11694.80838	11645.91064	12000.09032	11168.35172	12573.1332	11392.59004	12238.68783
10.64_656.2404m/z	656.240442	10.63623333	neg													12478.2165	11708.4861	12815.407	14550.75398	15991.55004	15633.73809	14523.77916	9501.924363	12929.08948	13859.64674	12587.65649	13842.05848	19602.85948	16567.24111	11929.53889	14219.08968	14927.27892	13535.56003	17570.30682
10.64_724.2278m/z	724.2278416	10.63623333	neg													6870.870891	6876.006755	6955.552732	6918.162221	8050.187699	8010.41801	8631.021194	4294.547188	4725.846827	6306.431501	7253.247906	6883.353497	9386.962499	8437.702638	6408.099307	7604.320728	7377.861487	8542.799916	9256.986782
10.64_743.0355m/z	743.0354632	10.63623333	neg													61151.19015	50181.8605	58201.35002	55324.80624	54761.6302	48963.99842	54460.03481	58659.04264	54642.28072	52646.85675	55551.80406	60300.6602	61846.41305	57135.95776	57919.19305	60303.71123	66812.21039	55541.72177	56490.48954
10.64_755.0338m/z	755.0337858	10.63623333	neg													5800.382363	3545.415451	4528.779894	6199.972456	4158.380426	4308.065037	4248.314849	4114.942565	2938.071443	3864.634221	4672.375712	5244.289206	4901.439502	3153.324087	3581.022725	5538.835645	5061.925443	6652.920839	5162.867534
10.64_790.5377m/z	790.5377409	10.63623333	neg													15073.44903	21231.31743	23879.99607	20732.03521	21249.58342	23171.67723	20719.1801	20885.54018	18685.80743	26797.20195	14118.5283	20737.43474	21969.27319	16661.05573	375.0752731	15535.69769	23730.66628	20020.44318	27508.57063
10.64_792.2154m/z	792.2154118	10.63623333	neg													4595.638857	2867.031791	3538.111047	5457.922212	5138.955699	5055.774304	4664.643081	2962.622611	3398.911914	4960.043622	4028.889998	4265.466281	6097.339229	6296.385895	4878.541118	5059.489308	4131.893289	4931.24817	5981.31819
10.64_860.2028m/z	860.2027683	10.63623333	neg													2119.759837	1912.917973	1202.834717	3754.902964	2952.76704	3069.890838	4457.743333	2179.336049	1792.273092	2866.146726	2758.451962	3263.329421	4828.457832	4351.790011	3571.338457	3962.105673	3708.88964	2259.87132	5630.651994
10.64_927.5456m/z	927.5456461	10.63623333	neg													5413.900363	4559.931247	7046.984167	5829.087827	6212.840233	7863.261704	6468.876818	2280.534112	4097.694484	3800.099376	3662.463986	3454.518441	12426.23279	7104.010862	4352.658919	5484.71786	6979.205503	6102.797686	9098.207693
10.64_995.5330m/z	995.5330308	10.63623333	neg													1730.602423	2518.356686	1830.992249	695.292238	2091.604524	1195.377401	979.3554235	0.000297236	0.000297236	1061.890212	1685.727036	675.5109316	3229.133695	2588.846032	706.9615348	1385.471218	1755.111882	1438.539799	792.9025133
10.65_157.9936m/z	157.9935836	10.65311667	pos													2325.057033	2597.796542	2360.458562	2444.446677	2273.079309	2200.247702	2340.18137	2662.416954	2364.49667	2144.592514	2453.878775	2781.67931	2457.926119	2607.163613	2600.518289	2744.548844	2690.415566	2655.688447	2292.659188
10.65_258.1754n	297.1377271	10.65311667	pos													11561.92244	10736.48764	11162.67873	13138.022	10869.65763	11224.99267	9554.852604	9117.203953	8907.306173	10442.38439	10220.79423	10931.42299	12830.71157	13778.99692	11499.57122	10635.77739	12264.66668	11063.06004	11835.49257
10.65_295.1375m/z	295.1374859	10.65311667	pos													1513.158687	1584.037173	1071.482785	2013.862229	1374.842656	1073.492027	1101.494505	751.125071	672.7421343	960.640983	956.9782527	1056.598043	1410.253582	2332.909707	2030.177224	1574.958538	1595.901487	1508.480516	1785.262385
10.65_457.3005m/z	457.300475	10.65311667	pos													5896.324955	5934.959043	5302.713021	6360.516976	6440.865846	6548.760383	5694.158795	2998.888219	4364.349989	4326.774906	5763.533214	5720.025042	7353.749074	7656.762088	6318.650383	6372.728129	7487.101342	5479.408057	7078.180277
10.66_118.9910m/z	118.9909629	10.65788333	neg													738.362752	701.2620204	688.7592212	759.4076873	670.7772826	683.8233873	812.4338455	723.0950405	717.6658724	777.8044223	875.5591354	633.8626992	729.8525877	736.0031612	723.6713341	771.0974305	672.895661	809.4291236	714.2767582
10.66_481.3641m/z	481.3640946	10.65788333	neg													411.7085723	325.3279898	227.1105652	602.3184284	1495.504017	0.000297236	1056.807894	2093.594415	375.9480991	1372.704079	675.8807936	253.7105781	843.3579056	231.9727152	167.6951826	0.000297236	368.4318737	292.2140494	2318.820786
10.66_525.3654m/z	525.3654322	10.65788333	neg													827.8620229	858.594023	625.9971189	458.2905685	2485.676278	330.5020855	418.8228892	527.278668	1804.961941	817.0452548	319.8235094	1199.288569	492.8995743	550.2102753	373.083492	725.7516902	332.5593275	616.9002893	1093.245294
10.66_615.0092m/z	615.0092493	10.65788333	neg													19630.40863	16414.01789	18324.09761	17606.03123	17855.45279	17377.96284	17274.65023	16300.97361	18628.90471	18622.82466	16469.94548	17122.05013	19412.14868	18303.94645	17752.04275	20980.85775	19125.40342	17340.44752	19158.659
10.66_947.6110m/z	947.6110251	10.65788333	neg													16927.07064	16748.51052	17129.56922	19817.12563	21869.09615	24296.67472	20761.82592	10251.80316	11409.69552	13598.35511	15910.88879	18740.1053	30993.31614	27984.52352	18410.26393	21393.01546	23179.07234	16904.58076	28259.50709
10.67_140.9954m/z	140.995381	10.67348333	pos													6466.852274	7382.354764	7119.255943	7117.195548	6483.481829	6843.147906	6293.890757	6726.736074	6646.182298	7007.874411	6726.673662	8569.11002	6977.335871	7248.555699	7261.213547	7222.001282	7331.803907	7342.246058	6068.352714
10.67_288.6614m/z	288.6613528	10.67348333	pos													504.8097632	508.9109645	380.4037018	0.000297236	828.4047285	349.2032418	912.3115275	757.7566072	749.3092771	359.8667644	952.2112831	758.2163725	981.3341101	770.7212352	1055.615532	272.6217352	439.8998325	453.7797072	398.469503
10.67_436.3655n	437.3727998	10.67348333	pos													10966.49564	8707.852897	9550.822171	9618.181187	11122.31742	8791.980499	12608.20443	22842.69956	10547.28929	17296.95017	12540.85705	8249.278697	7819.504191	8058.227876	8771.931099	8505.591898	9597.243706	8057.390703	22927.93256
10.68_1025.6351m/z	1025.635089	10.67961667	neg													5494.61376	3835.002293	5899.820541	4646.82857	4187.255105	8858.081654	8707.559858	4460.214403	7567.469974	6600.715891	3852.293849	10438.3321	11569.14321	12897.16219	11217.4651	10280.65357	5393.637427	8289.188354	9091.806998
10.68_1126.6111n	1171.637928	10.67961667	neg													37237.23006	37114.44774	35090.90457	35466.07784	40476.91644	40010.06083	43204.4867	23653.60908	35515.3714	30447.01558	31676.95961	41320.23545	50326.88497	44823.19563	34559.25109	40605.03405	38343.57884	39875.14309	43507.84589
10.68_519.0249m/z	519.0248976	10.67961667	neg													46764.34053	43928.51718	47807.84436	49810.26888	45415.84601	47151.78647	48642.84695	51842.14802	46811.23055	46296.67433	48837.51223	45512.91573	48517.32169	45862.41841	49339.26874	48094.72412	50435.79282	48176.42169	47520.77286
10.68_530.3018m/z	530.3018437	10.67961667	neg													69820.77566	65380.34249	68033.17254	73097.46425	70145.72021	75119.41839	76629.59118	55066.36734	66031.18424	65715.14905	70044.01407	73080.59842	80846.84264	79067.68354	74789.49805	74749.34131	74164.66473	72057.8376	72552.66482
10.68_540.7404m/z	540.7403837	10.67961667	neg													2290.916003	1850.437892	1920.036745	3222.232032	2268.299325	2970.515009	2244.468651	1499.502736	2627.953118	2997.395107	2935.078428	1803.475824	2757.226762	3062.331424	1534.62274	1832.163728	2718.300661	2771.435741	1680.308668
10.68_543.3388m/z	543.3388447	10.67961667	neg													29554.46561	27886.24724	29856.41682	30406.52724	32095.77035	33710.01104	34055.77913	21655.64215	28994.17584	28956.0989	29479.62725	31896.78619	33840.43481	31413.36988	30273.32912	30272.02161	31006.38272	30570.27038	31345.32299
10.68_557.3202m/z	557.3202271	10.67961667	neg													43926.19125	40260.90688	44880.39682	47614.76685	43071.12851	47404.78616	49480.81244	32094.28849	42610.48723	41557.59399	42361.22753	49725.96328	52209.66983	50851.50907	48072.87302	46675.1598	48051.76108	44684.29631	47167.35282
10.68_570.3417m/z	570.3417325	10.67961667	neg													1560.93573	1780.404396	1712.046021	2135.369596	2454.754149	1401.440971	2483.524309	1164.999081	1947.349046	931.5493352	1591.538503	2960.017939	2160.161165	2005.966608	3171.166999	2735.799548	1619.930379	1421.557702	1678.134397
10.68_581.0217m/z	581.0216622	10.67961667	neg													154488.1353	135451.2527	140979.304	143928.7708	141724.0604	147318.5944	146522.6407	143991.8523	140519.8951	143542.8116	154052.4972	142047.3147	147354.0396	139411.7968	144923.9614	150573.1034	143649.4849	148296.3501	142116.0556
10.68_584.3567m/z	584.356664	10.67961667	neg													39122.56114	35274.39415	39075.9517	38924.86803	38468.39689	39411.78154	44978.54098	29986.69213	38982.6408	33856.08083	41271.27441	34116.74921	43357.78789	41384.23657	42469.06775	41476.98136	45160.93513	37752.87977	40212.2616
10.68_587.0138m/z	587.0137879	10.67961667	neg													210802.1483	186593.9658	196046.3681	199473.7199	191854.4717	194568.5974	198737.1912	199278.1147	191138.8495	193392.1211	206356.5673	194315.9296	202759.6516	195641.9775	195682.5599	207087.2295	204588.7045	202727.2247	192753.2294
10.68_597.1312m/z	597.1312231	10.67961667	neg													2921.901368	3173.621341	3715.38855	2924.881544	3203.909268	2924.190623	4017.647853	3085.229475	3547.643525	4614.88728	4119.241255	3383.515772	3339.819994	3962.008566	2389.386478	3154.161177	2995.440335	3303.342871	3524.255998
10.68_598.2896m/z	598.2895999	10.67961667	neg													15320.14415	12163.93621	13564.61201	14488.18754	14745.73398	15666.93186	13702.21626	10022.20354	14473.31953	13676.75822	10965.52846	15461.95515	14773.6067	15729.567	13966.0205	15980.9148	13538.82388	15158.34086	14707.08007
10.68_612.2602m/z	612.2602115	10.67961667	neg													77452.75037	70735.24023	71526.64505	81456.21958	81265.04985	90933.3789	80363.30242	60691.06844	84938.09903	81205.8319	76633.64632	71326.74185	83176.47556	73122.29694	81655.82206	85197.85915	74840.54364	67606.84883	86114.33586
10.68_618.0327n	599.0149037	10.67961667	neg													182159.5761	160024.8987	173136.0458	179302.7011	167242.629	169374.7643	172436.1408	171186.4977	173198.6915	177227.3279	183525.1941	172105.2234	181760.0353	176446.1709	174226.1184	179330.5397	181308.8705	175514.0701	173889.0228
10.68_620.0467n	601.0288153	10.67961667	neg													345859.6493	315635.2166	318591.8869	333051.998	318221.1453	327864.7161	324517.2301	326033.6775	326106.4714	331623.5936	349660.2933	320322.7463	336918.6711	330383.3261	334241.272	350260.6022	346447.1022	334403.5865	319938.0556
10.68_638.0378n	619.019957	10.67961667	neg													371458.0615	330574.9572	354940.1209	351788.4577	338232.79	340691.0783	355078.5515	342674.5125	341358.8376	347108.7361	358091.0744	347040.4624	368780.0772	345400.0897	356819.2588	363636.4002	362340.5171	353213.198	336802.311
10.68_640.2550m/z	640.2550425	10.67961667	neg													4863.49394	5206.026687	4729.631727	6230.038291	5287.683973	7273.743076	8070.63446	5167.97345	5209.479347	4853.139151	5225.767571	5905.759735	5197.368419	6165.962475	5208.201268	5501.36454	5473.822305	5878.502989	5999.61615
10.68_666.2773m/z	666.2772776	10.67961667	neg													6180.760936	5555.108323	5278.262638	6422.933017	5814.895138	6014.296726	4805.634281	4813.988152	5379.240876	5059.091181	4792.55928	5260.457724	6453.137126	6078.933359	6846.501558	5571.558658	5978.790373	3771.43309	5829.978911
10.68_670.0236n	715.0384956	10.67961667	neg													274348.6593	215578.6064	249052.0064	248060.5754	234548.5964	237218.4931	237668.7365	235324.0917	232884.0833	229582.8979	237680.1885	238856.9798	254266.3625	246761.459	247538.1038	265350.2074	252930.6512	252366.2752	245330.0788
10.68_676.3053m/z	676.3052764	10.67961667	neg													123278.1444	115411.0306	123984.6212	137153.2818	129915.6735	138358.2951	144572.6223	108487.469	133137.7054	120769.3058	127914.2767	132783.3694	144069.7603	135987.0207	135432.5132	135336.4248	130185.794	129219.2982	134322.204
10.68_680.2485m/z	680.2484667	10.67961667	neg													13676.60856	11383.67648	13912.81944	12346.66243	12312.74219	12613.85698	15140.17964	10615.12355	13230.11373	13439.94038	12947.78414	12866.70969	15191.9706	14810.04276	13338.72597	14609.92828	12475.12571	12905.12737	13202.51944
10.68_689.2679n	688.2605989	10.67961667	neg													22927.67181	20207.16835	18020.6927	23897.57021	22566.14801	24469.17594	25234.19941	15553.32409	21326.37303	19194.19366	23028.97671	21825.04959	26008.31053	24505.18104	25824.82354	22774.27014	21990.60759	20604.03106	23683.55489
10.68_701.0227m/z	701.0226984	10.67961667	neg													121425.8384	102729.8137	111690.2226	110324.9909	99849.46865	105613.784	112375.6923	108416.487	104397.3303	99069.28763	114087.8307	117272.5239	117854.0106	111650.4485	115659.5118	116113.1733	119526.3042	106662.1952	115899.8448
10.68_744.2933m/z	744.2932981	10.67961667	neg													45593.75433	40670.67235	44984.9167	49262.18216	49508.05517	52174.28215	53616.87077	45319.40389	48263.04661	50815.00252	48430.8376	48881.97002	53319.88278	49207.11151	51445.21032	49954.90807	51145.85128	49372.58477	50502.60998
10.68_747.0439m/z	747.0439464	10.67961667	neg													101423.7372	83362.81984	88777.44295	89814.12663	87570.80766	86031.95138	92886.58689	85628.08129	90717.68802	85638.03344	96369.94388	95163.99963	95494.38042	94873.98325	97921.8641	99851.73545	98066.58493	99008.81688	97514.69461
10.68_748.2356m/z	748.2356424	10.67961667	neg													4482.165884	3741.968618	5001.507703	4373.904404	5378.642077	5642.362905	5558.404503	4321.801894	5205.221717	4926.76719	3264.141038	3803.872745	5520.929992	4199.320344	5703.612041	3584.179064	4411.145341	4283.488828	4819.48848
10.68_766.0423n	765.0350298	10.67961667	neg													129440.5591	103483.5057	118198.9939	118975.9137	111601.3672	117141.4435	113577.9988	112166.8208	108310.8554	118107.0068	117269.0572	117322.9152	128611.84	125506.8838	119818.5881	118615.9884	128631.0407	124725.2334	114569.841
10.68_812.2805m/z	812.2805191	10.67961667	neg													19854.1071	19958.4354	21872.69592	25084.98172	23794.85148	24968.55781	25134.97014	19504.06688	24819.16118	21355.12919	23659.54423	21217.52497	24704.32695	22590.76303	25331.48942	24773.09424	25494.11581	22943.88088	25006.02773
10.68_880.2681m/z	880.2681391	10.67961667	neg													11361.63293	9780.928498	11351.65786	11445.01804	12021.9624	10873.13925	11696.09914	9497.702585	11705.92316	13128.76007	13080.12482	11671.78067	11704.68314	10627.69493	12770.0309	11064.90213	13830.17704	11488.80003	12938.35615
10.68_948.2554m/z	948.2554212	10.67961667	neg													4884.514191	5057.256069	4172.635925	3048.207574	4817.650998	5201.437515	5988.426281	5872.430105	6632.524511	6825.5137	5516.003016	5806.564408	5354.712022	7218.58602	5256.058821	7054.255404	7391.186581	5140.375341	6467.505219
10.69_1019.6302m/z	1019.630216	10.69353333	pos													6395.157171	7027.323002	10641.62738	18249.93796	22095.19088	21393.2921	21574.14843	1651.899061	12628.7113	11727.61825	12202.97778	9725.330655	18350.84966	17627.46445	15886.40938	17275.6064	19800.48205	14796.90893	24721.83513
10.69_1063.6646m/z	1063.664556	10.69353333	pos													4298.102353	4395.830034	4815.171814	8500.990408	11037.96953	5469.646537	4388.606201	3159.569983	8505.662463	11941.93124	7113.287841	11817.47067	8112.191587	12785.84821	11009.53321	9364.122164	12486.72764	11431.9231	12106.15426
10.69_120.0255m/z	120.0254788	10.69353333	pos													5673.552162	7419.986441	5934.780099	6339.689231	5757.035348	5995.565332	5775.868672	5949.642608	5920.968414	5724.435147	5887.558555	7414.43486	7599.52257	7670.321405	6968.001658	6488.551939	6625.944933	6236.273499	6291.61926
10.69_140.9910m/z	140.9910489	10.69353333	pos													4156.039782	4436.469102	4188.355018	4307.88158	3633.731639	3846.870342	3867.600757	4265.809746	4022.303264	4158.641721	4105.083466	4371.525477	4305.310878	4144.467657	4635.252655	4634.639916	4436.191916	4220.865882	4066.860184
10.69_295.6481m/z	295.6480535	10.69353333	pos													11816.33858	11877.29119	12398.67061	14864.57407	14794.16609	13604.74746	13720.60872	9914.876577	12958.25805	11508.92128	12107.88568	12660.84789	12437.01787	14779.50761	12790.52428	13604.80468	16675.11308	14911.16665	14915.32662
10.69_297.6474m/z	297.6473956	10.69353333	pos													18106.14529	16183.61288	19202.67922	19071.43585	21135.3336	19066.95352	20192.05743	16260.79621	17996.65695	19128.97784	19925.92307	15077.44183	20456.3308	20363.43162	19840.61067	19311.54439	19859.11193	19578.42111	17502.80262
10.69_306.1512m/z	306.1511576	10.69353333	pos													25377.49757	23865.73461	29156.19946	28341.57036	28889.50652	29865.88549	28895.07984	20088.9446	27386.00995	25274.20987	27043.80742	29196.79852	32271.36422	32377.13245	32709.33194	29736.56561	31038.53704	29720.58193	29452.73199
10.69_306.6529m/z	306.6529166	10.69353333	pos													6300.477425	7659.860407	7946.655289	8071.661257	8885.918445	8682.524661	8317.481307	5720.802878	7625.378393	6521.220277	8065.505392	8106.469106	9023.993058	7653.982203	9705.390287	8140.047956	7970.577179	6630.927138	8406.885125
10.69_316.6594m/z	316.6593845	10.69353333	pos													1918.399702	1995.39664	2051.917151	1845.306396	1682.535205	1876.379756	1865.377709	1431.177432	1255.312017	951.90219	1648.858196	2206.270573	2679.778761	2510.217888	2598.07495	2045.517889	1898.459861	2306.165339	2916.476601
10.69_317.6592m/z	317.6592137	10.69353333	pos													58109.46884	58680.09671	57651.62115	59149.6829	62088.97375	67604.30692	60168.05174	47014.00642	53530.3922	57724.28185	58227.39807	58255.5004	66287.58923	69703.2608	67465.72496	67047.65771	65953.76999	65278.96817	64833.31109
10.69_495.9814m/z	495.9813887	10.69353333	pos													4624.318696	7167.549951	4997.650772	6294.722114	8147.472592	8598.020927	6964.209095	3750.17257	6534.096254	7372.080046	7450.444718	8188.791321	6723.457908	5423.884834	5484.392486	7265.073281	6984.4449	7877.178492	4313.804756
10.69_499.3473m/z	499.3472892	10.69353333	pos													58513.80621	56782.568	57857.66992	56444.1335	61778.939	68474.62209	62117.94073	44240.86322	55995.06972	54743.86641	60558.52894	61224.81767	70756.02944	73885.46557	65040.57823	57516.95516	63264.18719	62753.15695	62565.67883
10.69_518.8233m/z	518.8232828	10.69353333	pos													8738.547464	6680.701654	9818.279297	8301.521205	8994.363886	9395.1661	10043.13731	8221.146294	9907.079386	9056.604103	12525.93148	6717.189655	9217.773865	9220.878768	8662.126782	8577.695777	10807.39009	10809.799	11565.37374
10.69_522.7959m/z	522.7958837	10.69353333	pos													13902.73421	11735.52915	16012.7957	17573.33457	16969.80776	18274.84523	18048.41796	9901.65059	13179.36359	13853.15977	15815.73974	13738.50371	17397.7237	19224.38288	17423.34541	18079.18838	17939.92289	16217.42514	20025.07244
10.69_523.2980m/z	523.2980354	10.69353333	pos													12525.44264	11280.61484	15246.52443	16669.69371	14020.53119	16630.01968	15784.34885	7942.512077	11684.86193	10870.1424	11645.62236	13211.9911	14974.11472	18425.29209	14119.67975	15613.3859	17287.11266	18664.87162	15902.818
10.69_524.7999m/z	524.7998647	10.69353333	pos													43544.2954	43499.66843	47892.93494	50722.78648	55112.20635	54754.09212	55827.90447	30909.55283	43564.77046	43904.49168	46858.89012	43593.68047	51876.54391	54596.43618	54521.3407	53053.64093	53918.7106	57574.25728	55004.15619
10.69_586.3080m/z	586.3080317	10.69353333	pos													65140.83616	42982.31993	61239.01871	67165.0863	59694.71704	69925.84301	69746.81245	52772.63729	61532.07983	60779.00528	66013.52972	44076.17651	53883.23827	60596.1909	64372.83916	64229.74799	65993.60766	64499.92602	65204.59811
10.69_598.2638m/z	598.2638252	10.69353333	pos													16498.94647	14025.32689	18109.20865	18164.90099	14292.79575	17674.84917	18376.36493	14831.68544	15593.19871	19015.69342	16504.50979	12225.95995	14538.51209	16297.28633	16507.94401	15904.57013	15718.97357	18339.02256	20379.09422
10.69_618.2459m/z	618.2459058	10.69353333	pos													49737.71822	37434.1565	47396.26076	57826.58542	46990.8025	46884.7952	49398.01435	46464.47664	50414.56182	46713.01919	46290.81619	34948.5919	43042.5942	47580.72833	47179.34024	49891.56685	49309.27472	49119.20547	47899.25199
10.69_770.9646m/z	770.9646299	10.69353333	pos													4164.338852	3863.000911	5275.888627	5339.863734	7172.233661	7635.873435	7165.953409	3205.266104	5167.176355	4705.914308	2428.267776	3486.68405	5145.695715	7414.165829	6885.143082	5643.828713	5652.364892	7720.834821	6897.746523
10.69_771.9644m/z	771.9644013	10.69353333	pos													34586.31447	27183.62518	31490.67791	33670.72951	40127.72331	45995.74125	45343.26718	15816.05752	33101.39952	32017.18475	36510.90461	34590.45469	35099.90572	43755.65986	41889.77416	40763.82971	43659.78585	51975.5319	47753.13648
10.69_909.6009m/z	909.6009431	10.69353333	pos													5297.704997	6696.651654	5383.874092	2702.13833	5239.990948	2004.705062	4680.227776	1610.798805	4163.381921	8964.887995	7309.364206	18792.86369	0.000297236	1950.521076	0.000297236	0.000297236	0.000297236	4081.285512	558.6106795
10.69_990.6625n	991.6697377	10.69353333	pos													1580508.323	1390834.656	1772619.114	1720920.718	1912844.201	2259116.043	2057853.831	1029185.561	1505943.404	1612291.906	1818575.886	1552981.465	1928207.298	2264818.585	1909426.041	1930733.769	2136796.894	1937906.335	2194325.428
10.70_1085.6788m/z	1085.678779	10.70088333	neg													4647.813005	3230.935967	4357.482564	4444.036644	6783.806028	3619.124186	7296.440487	1595.688788	5872.141933	4520.270363	2798.472764	7309.700255	5662.931365	6897.140142	4062.958361	7178.672938	4453.570654	3627.355345	8040.07394
10.70_363.2152m/z	363.2151863	10.70088333	neg													5310.16984	6781.046481	6190.759224	6048.805303	2284.040346	4739.032939	3165.747595	16002.71508	6956.735294	2717.145664	4495.085244	9491.438339	3850.91109	3618.319019	5886.166604	4645.020445	5470.831959	6421.79207	4738.838014
10.70_449.0415m/z	449.0414526	10.70088333	neg													4310.973953	2806.449789	4510.460936	3764.397737	3420.296714	3482.784776	4541.335692	3734.992973	3810.108422	4045.250505	4533.106282	4704.125529	3456.227333	3090.296204	4170.080059	5218.073164	4707.498238	4770.352567	4571.632698
10.70_511.3507m/z	511.3507379	10.70088333	neg													1587.801506	1513.541787	1097.849731	1367.617447	1713.323437	1329.381951	1224.573841	1713.330037	1657.721844	1409.117014	1761.714373	1534.097047	1322.839128	1276.722775	1067.081195	1418.087185	1843.844056	1399.342664	809.7203247
10.70_693.2947m/z	693.2947248	10.70088333	neg													4259.997672	4083.302962	3275.180817	4108.023647	4303.90229	3989.127587	3578.701568	2891.426249	3570.239811	4064.430086	4255.254923	3019.173765	4298.084657	4396.986241	4028.19758	3347.795285	3483.463741	3899.328052	3391.293863
10.70_752.0471n	733.0292172	10.70088333	neg													222114.1956	197283.5403	202289.2542	207802.7607	200574.3697	198838.7042	209231.9141	202868.6183	209063.4225	197754.5514	217092.7611	211828.4511	226160.8108	206712.3902	213966.3144	224004.7207	211980.2095	209861.4639	202601.5604
10.70_761.0256m/z	761.0256161	10.70088333	neg													61210.29661	51962.3467	60250.33332	62632.79104	59848.42404	53687.23243	57256.67619	57216.45274	57639.57001	55483.54292	59705.81803	58826.00591	62193.93738	59907.04136	63340.05881	61990.31473	56674.22668	62866.55502	54416.67254
10.70_779.0495m/z	779.049456	10.70088333	neg													57147.54556	45120.99807	59185.9771	59022.73374	55873.69122	55845.17976	52557.75029	54917.57102	55177.90562	52654.20119	51285.82403	56702.64798	54310.89754	60244.53035	59305.14959	61055.45619	59545.7297	59248.12966	52821.31061
10.70_791.0507m/z	791.0506613	10.70088333	neg													13548.05221	13894.82718	14490.06769	17125.03408	10175.99279	15091.68071	10663.31151	11119.33889	11446.91102	13979.48011	12439.5553	11442.02954	11921.8387	12098.6937	13889.31381	11904.76357	14563.33458	12072.8717	11555.7329
10.70_973.6256m/z	973.625631	10.70088333	neg													4967.055859	5836.423801	4429.980833	6149.896169	6634.435448	7734.356674	3927.175789	1837.056905	5728.630253	4666.890399	3952.830316	7682.812029	7659.896306	6768.224372	4632.086762	5899.28401	5716.348536	6072.444406	4929.600735
10.72_1114.6208m/z	1114.620847	10.72161667	neg													3342.590083	4849.825902	3525.736481	4642.876372	7868.570112	4150.286129	5342.00252	668.4514543	2173.275767	7413.627272	6556.607592	4188.73528	5498.51103	9322.335685	3550.284951	5609.962363	3911.898314	8243.2212	6290.251254
10.72_572.9991m/z	572.9991089	10.72161667	neg													13145.80065	11768.91958	11069.86498	13547.43385	12007.01158	11994.0284	11259.8816	13075.29733	12107.39455	10618.60082	11985.78988	10143.90175	11855.00509	12865.50294	13873.47444	12299.629	12814.48203	13057.78477	11672.40142
10.72_629.0055m/z	629.0055198	10.72161667	neg													9417.789096	7618.592117	8763.224585	8785.191402	8519.867361	8442.730898	7517.23347	6073.192218	7616.784617	8020.148709	9489.06328	6085.097052	9320.723388	9720.68596	7570.761696	7888.874182	6542.931169	8906.825989	8054.872141
10.72_657.0365m/z	657.0365275	10.72161667	neg													6302.675196	3753.527049	5013.85582	5769.764808	5325.126177	5409.581066	4835.949695	6648.469918	3983.648759	5818.337607	6193.284558	4874.390816	4873.708653	5480.369515	5324.866727	4184.7473	4101.780843	3928.454744	5744.246689
10.72_681.0154m/z	681.0154421	10.72161667	neg													47783.07573	39618.85677	47972.43107	46104.34332	45092.86497	45734.63469	46033.35608	44743.40367	41778.20787	50057.7915	46299.27593	48567.78153	46800.39531	48113.88715	45009.29169	48278.90698	47923.87416	46481.05478	47318.24697
10.72_691.0205m/z	691.020497	10.72161667	neg													10279.64562	8778.317054	10123.89881	11039.50293	12499.44368	6975.944758	9576.805599	12484.08298	9456.946727	7428.226783	11773.47538	10946.01016	8452.332561	9044.377207	9367.488587	10026.14014	9497.405463	9099.360214	11516.71265
10.72_809.0406m/z	809.0406285	10.72161667	neg													21896.78399	16470.35726	21763.8802	20223.03313	15973.30391	17474.82339	16888.15613	18341.65842	15385.32746	15572.1291	16926.86203	16935.12839	17721.76056	17984.12902	18091.4416	20153.76724	18988.13938	15815.72579	19312.82105
10.73_318.2397m/z	318.2396941	10.73445	pos													30691.43185	17147.0653	29595.31444	31928.46698	32679.79217	24447.0134	33358.90165	44002.99284	26472.8202	28988.42471	27557.94293	17634.16258	15708.11989	26514.05656	23782.27467	25492.92939	22694.35604	35309.86084	35221.99717
10.74_433.2626m/z	433.2625763	10.74271667	neg													488.1184437	482.0758989	632.9397686	370.839667	354.8881846	308.2711344	538.6237666	257.960462	793.5272573	414.9439643	737.9833368	624.2983751	917.7856754	704.3367856	776.3471118	374.0486036	359.803995	484.1080768	613.4124048
10.74_434.0185n	433.0111975	10.74271667	neg													11743.37182	9520.141834	11162.9588	11268.55829	12038.12864	11899.98426	9704.496736	13177.20833	13574.17149	13076.59111	12589.33239	10870.02544	11580.50502	10760.17765	10895.40878	12748.40004	12669.65026	10039.17372	11772.64002
10.74_539.0318m/z	539.0318213	10.74271667	neg													9042.262893	9132.919667	9513.945717	8180.509707	10320.5585	9660.231744	9695.446454	8680.802513	9805.505735	9366.840196	9805.412324	8640.243778	8819.716949	9486.322634	9383.870529	10453.91896	9704.274011	8924.596718	9580.917375
10.74_597.0153m/z	597.0153258	10.74271667	neg													11378.54558	10088.23859	12889.26666	11744.29162	10411.70166	10517.41734	12119.21019	12371.06343	10939.01607	11258.22114	13012.95098	10650.14599	12060.88886	11104.08767	11691.27275	11955.86931	10559.22606	11117.04782	11610.76284
10.74_629.0193m/z	629.0192729	10.74271667	neg													7435.200434	6149.217785	7613.13455	6582.212705	7178.087244	6753.704511	6359.724184	6499.68355	7629.242494	5958.058413	7544.259801	6205.473552	6718.0459	7347.29634	6586.742036	7214.711959	7296.877841	7286.555553	6254.750182
10.74_679.0215m/z	679.0214555	10.74271667	neg													12011.12364	12299.56847	12193.94447	14990.47424	12118.37353	11580.18745	14812.38763	10249.1871	12230.98702	10561.49104	13586.98408	11837.97899	12071.10456	14242.65487	15280.7092	15552.33018	16475.23606	12668.62041	10771.72927
10.74_687.2761m/z	687.2761393	10.74271667	neg													41937.31684	37292.29264	41735.35431	51231.06066	54508.15341	45024.28571	50644.78763	26730.92883	36324.69909	48583.86058	52947.86704	42483.31486	67516.08472	74281.87846	55918.04444	61383.25033	49366.84261	50454.37405	59299.13022
10.74_726.1530m/z	726.1529816	10.74271667	neg													3511.392597	3564.674873	3561.043961	4616.006536	4441.338836	4661.778619	4170.300541	4005.444388	4805.168215	4257.614486	4590.149841	4242.229372	4168.114152	5200.203483	3928.319857	4033.341312	3022.247977	4489.750684	4887.565886
10.76_289.6405m/z	289.6405345	10.75505	pos													8013.371854	7729.294307	8964.892396	7586.547966	12907.34197	9141.618933	8407.347453	7954.208344	8157.729289	6438.291359	6340.32817	8670.737324	10512.66517	8857.16644	9131.815844	8466.017488	8709.391864	8312.296131	10157.26732
10.76_306.1942n	305.1868839	10.76428333	neg													8466.973126	7944.960258	8224.348518	8735.594355	9112.285646	8388.748195	8534.680949	8379.045381	9074.886233	8843.211174	9438.987884	7640.400952	8171.358128	7699.55731	8545.77315	8414.034044	8201.181786	8391.502264	8500.384533
10.76_339.6162m/z	339.616222	10.75505	pos													630.9539401	801.8248451	993.982836	1414.678459	1908.218322	556.5457923	770.4909393	0.000297236	512.7149145	1175.85859	838.023661	598.9474222	663.6410942	1091.102234	1278.510305	1777.850005	1162.383311	1008.418765	1381.305645
10.76_359.6278m/z	359.6278012	10.75505	pos													3499.120507	2490.945472	3716.652531	3104.134487	3432.980941	3448.577031	3529.242022	1330.313665	1335.863799	3109.51301	3164.119371	2630.957684	5129.043176	5300.883681	3558.092086	4664.379356	4033.413625	4068.7852	3575.898917
10.76_368.3516m/z	368.3516389	10.75505	pos													38433.99127	25626.47288	38724.94206	31610.39206	55809.17233	57696.21376	37731.2454	27309.028	27438.14105	37875.73396	36684.84994	28897.49959	49344.7486	45173.93181	42165.97132	40476.97299	40405.24728	47272.06961	41844.98399
10.76_394.2558m/z	394.2557727	10.75505	pos													7494.064409	4980.097476	8402.015509	7612.97407	7096.859052	7521.741538	7825.081502	7757.71277	7647.572202	7530.681239	7892.063341	3428.946621	4592.776116	7089.833346	7098.608574	6887.14185	7292.979975	7773.912555	6850.572268
10.76_495.0256m/z	495.0255897	10.76428333	neg													11799.22091	11333.14679	12653.30662	11306.62749	10243.33334	11463.54675	11475.25113	12824.35291	10875.0901	9854.894758	12501.23308	10748.51801	11080.70025	10860.61005	12045.69967	11234.14901	12578.96894	12590.2649	10720.7963
10.76_506.3245m/z	506.324495	10.76428333	neg													1037.675335	799.0860654	1227.101928	805.3117459	2187.168803	1113.323395	1054.045615	1105.842895	1107.267996	975.6262961	695.7022357	1884.525787	1625.698995	1249.809486	1092.443923	1281.859779	1297.126557	894.0375781	868.1219958
10.76_525.3630m/z	525.3630463	10.75505	pos													3159.274457	3118.591317	2183.341919	2031.480124	4400.971052	3226.131246	2576.138147	2429.539484	2928.434533	2701.841665	2313.686412	3114.023554	3993.295763	2750.067952	3176.782802	2582.295398	2638.053368	2893.027973	3783.500085
10.76_543.0249m/z	543.0249467	10.76428333	neg													3651.743461	2913.523793	3044.338901	3688.272797	3021.511285	4039.646246	4550.939596	4133.242546	3975.815597	2687.339474	4097.81392	3479.800699	3482.006079	3688.902647	3079.672644	3843.150519	4075.809222	2778.96212	2986.991291
10.76_569.0039m/z	569.0039278	10.76428333	neg													20642.17446	16558.64577	20097.23653	20439.29646	18984.05654	18263.78241	19856.90583	20480.87069	17758.78452	17586.12282	19417.91736	19162.77438	19439.81698	20267.46932	20272.59988	19984.45001	18185.11128	20511.50052	18052.47996
10.76_570.2835m/z	570.2835451	10.76428333	neg													14368.8111	13666.09229	12685.18387	19780.86864	15051.37256	17545.08841	17564.16478	10354.39335	19142.6667	16228.39163	21363.06623	16846.83064	21137.30975	19104.68527	17910.42077	19215.75344	15537.64229	16811.47749	23738.09255
10.76_593.0199m/z	593.0198886	10.76428333	neg													29622.46133	25170.31916	27621.18076	27386.88412	25416.30406	26949.57277	26742.49147	25721.53985	24632.32069	26299.47587	26994.27778	25088.6141	28550.88403	26386.98301	28364.6246	25326.39159	25592.52888	28084.45477	25437.05183
10.76_611.0169m/z	611.0169453	10.76428333	neg													68291.81492	59856.60994	61997.10615	64008.6413	60536.76284	60940.19897	61340.89297	63628.48963	60043.29544	60034.36688	67249.7928	58448.15089	62153.5676	61613.05893	61476.73329	65629.10461	64400.75688	65216.87811	59519.82018
10.76_613.0268m/z	613.0268323	10.76428333	neg													42629.38042	33925.46231	40913.03613	40893.38564	36373.52389	41548.48737	40020.60051	43642.35034	39183.16151	36831.9502	41654.97426	37821.97669	41730.56607	41234.87815	42068.78909	40131.86901	42509.12386	41779.3752	38567.97772
10.76_639.2792m/z	639.2791526	10.76428333	neg													915.0929196	729.7132241	697.1069717	372.0139309	1018.980357	689.1117619	501.475765	670.0652827	1137.15589	289.1885256	590.3493695	732.2793327	855.8863629	932.0671865	628.763005	369.0536319	907.727869	457.1389401	1371.44251
10.76_703.3241m/z	703.3240796	10.76428333	neg													2514.790259	2203.727605	2646.104381	1982.008979	3075.618416	2680.611014	2138.091162	1825.575834	2548.987625	1905.465209	2602.793878	2817.523518	3796.675609	2855.6805	2022.313419	2597.354184	2027.937494	2045.746408	2991.933342
10.78_288.1424m/z	288.1424038	10.7763	pos													669.7691217	634.3795506	589.6333167	1345.20099	1592.645854	1143.369524	523.3674803	601.8059014	1061.349942	940.2515312	508.0165842	1491.50337	1140.403075	971.3159978	431.5702888	976.6456071	1067.115871	660.6644061	1125.827802
10.78_290.1423m/z	290.1422956	10.7763	pos													2148.290794	1587.126681	1632.408112	2160.52448	3378.573027	1852.729164	2085.231396	2064.68464	1926.466807	1516.068673	1973.860486	2304.639312	2728.014512	2319.459814	2202.185257	1947.899281	2625.176852	1745.611231	2916.398261
10.78_310.6555m/z	310.6554936	10.7763	pos													302.0354315	337.1247059	385.442081	670.5075235	906.4011931	465.1798184	139.980433	441.7598172	514.2809385	347.578198	412.7639244	414.791276	796.3673233	667.1754169	318.1906649	486.5002538	373.6817433	559.3063139	920.0949519
10.78_351.1773m/z	351.1772521	10.7763	pos													824.1033642	549.2965121	600.9778519	673.5563475	503.8222935	665.5385013	3960.685871	933.2475788	1068.915089	1347.750985	1014.260778	1647.114636	896.1962673	1412.865084	1308.393776	422.59021	475.8866246	701.8976864	2975.265011
10.78_468.3890m/z	468.3889588	10.7763	pos													3699.207485	2999.126468	3442.955259	3550.806377	2754.798029	3918.81909	3903.578328	3394.405361	3668.539714	3648.939339	3621.897106	3166.141823	3033.995308	3170.419647	4356.971214	2839.526795	3969.366391	3401.219207	3357.171309
10.78_677.2220m/z	677.2220498	10.7763	pos													3323.410596	2442.50765	3030.292661	3866.834113	3637.790551	3309.880241	4259.440497	2154.226057	3178.166022	5068.598171	3515.841485	2063.024338	5784.77846	5753.26329	3832.863681	4898.31519	3462.371212	4828.970274	5312.407404
10.79_241.1805m/z	241.1804767	10.78516667	neg													576.8535931	563.8904574	569.7846084	565.0278984	741.574465	483.7615446	455.9504074	536.5826283	562.8715948	493.9418176	431.7497271	640.6626443	789.2035738	599.3529404	466.2121505	469.4241495	350.4906094	807.2131931	489.7822721
10.79_471.0087m/z	471.0086877	10.78516667	neg													10685.29616	10318.23406	10821.52374	11068.91851	10744.16894	10380.27988	11423.95133	11847.74361	11419.0088	11418.85614	12930.07301	9394.689141	11151.73368	10679.70009	11450.62201	11801.50137	10110.60464	11625.60876	9632.46627
10.79_473.0988m/z	473.09878	10.78516667	neg													2545.568285	2267.218492	2172.381012	1972.240996	2493.148327	2285.94031	1727.192987	2334.636483	1543.897331	2480.641821	2318.645074	2028.239801	2749.844402	2397.011086	2511.999199	2316.411698	2312.953231	2363.111037	2006.610654
10.79_493.0101m/z	493.0100635	10.78516667	neg													41768.8866	37759.52664	40276.59552	39860.65683	39336.09109	38582.826	42550.8322	39654.22055	41341.78106	38346.57018	41958.87115	38620.10132	40539.84537	39591.94273	40398.74152	42541.51143	40576.98178	40059.93274	35881.37629
10.79_496.3048m/z	496.3047635	10.78516667	neg													5492.57905	4755.002402	5591.830529	5902.209365	5585.949979	4904.623892	6539.396727	3215.465846	5110.132984	3382.862365	5921.119269	4765.979479	7085.79019	6182.800819	5279.98885	5747.845614	5772.428151	5471.679313	6280.223622
10.79_507.0067m/z	507.0066588	10.78516667	neg													25461.9691	24688.72899	27070.63417	24662.72543	26576.29228	24903.20956	27501.41896	27668.39533	26305.03551	27051.24631	29364.09391	26163.77201	27530.12925	26127.43035	26671.98061	27495.78263	27939.50926	26426.89205	25029.72107
10.79_517.0108m/z	517.0107831	10.78516667	neg													31847.08904	28106.08562	31825.23745	30125.18842	29890.65875	29037.36099	31345.93307	33399.05827	31859.29673	30173.99997	31896.37861	30916.94765	31852.00767	31359.89756	32106.23762	33296.57296	33170.52904	30193.09506	30531.13178
10.79_591.0222m/z	591.0222001	10.78516667	neg													33929.83482	27473.4671	30987.82596	32106.66474	30702.33502	30279.45544	32372.38841	31106.19724	30554.55294	29576.87854	33211.88927	28793.39686	34007.1299	30396.58815	32797.1121	29774.70594	31439.67941	33142.26772	30223.33133
10.79_603.0454m/z	603.0454157	10.78516667	neg													2873.77734	2969.029749	2802.972296	3230.958467	2567.251993	2830.048051	2761.504846	2807.081626	2889.691076	2505.875267	4015.584937	3149.854529	2848.810713	2878.718505	3425.224592	3053.885651	3602.558237	2862.623795	2782.75379
10.79_627.0193m/z	627.0193278	10.78516667	neg													31683.50339	25347.02517	28830.65083	26762.45466	27799.16753	26078.57834	27536.00549	29609.86478	28954.81195	27125.66176	30386.70105	28734.49204	28912.35084	27329.77379	28813.77283	26599.2263	30222.43534	29015.145	28171.04626
10.79_661.1452m/z	661.1451665	10.78516667	neg													5342.293082	4265.072883	4777.598267	5442.925885	4236.015861	3860.841903	5208.721329	5324.666292	5321.962231	5251.541732	5627.344019	4720.35105	3496.986207	4328.133392	5701.396436	4083.473755	3905.18656	4443.406979	5196.052409
10.79_709.0463m/z	709.0462518	10.78516667	neg													3442.530035	2103.506495	3567.825852	4246.412029	1698.335725	2417.829918	4400.131024	3225.642353	3423.517306	3352.632346	2668.901578	3239.825639	4635.238401	2634.673661	4207.660389	2167.902784	1710.685682	3797.766142	2837.23908
10.79_793.0330m/z	793.0330296	10.78516667	neg													64968.40601	51518.85949	62988.41317	56804.41829	54865.81602	54387.23858	56522.67252	59345.61255	56973.26976	59318.76089	61949.77272	57511.09547	59715.86526	55385.04273	57931.42106	57733.51615	56990.84906	56563.9361	58151.06631
10.79_951.5275m/z	951.5275206	10.78516667	neg													5980.691615	4289.323037	3973.04599	7512.496886	5684.828685	6549.891507	8862.625971	7863.325966	7377.012762	6413.068224	9679.905101	0.000297236	9497.247472	9728.065488	9413.889776	8686.121956	5627.145366	6384.775592	5572.090129
10.80_1086.9461m/z	1086.946106	10.79778333	pos													4598.329279	5529.850731	3894.946991	5971.15472	4220.175998	7161.793813	4803.602091	4360.864338	2802.496915	3348.930503	3847.934484	1986.159845	10092.76805	5114.940803	4404.685354	5510.898176	3752.457886	6325.151635	8588.564815
10.80_229.1432m/z	229.1432227	10.79778333	pos													5654.355357	6287.44942	5840.848379	6251.759324	5785.462801	5892.002233	6045.947257	5560.212427	5969.334331	6199.019411	6213.249058	6008.252596	5777.818419	5812.079952	6177.759907	6489.867689	5977.660932	5945.557098	6200.743983
10.81_204.9415m/z	204.941487	10.80621667	neg													1381.632468	1481.747428	1521.60683	1744.9824	1617.586524	1705.974294	2058.518857	1921.285138	2021.067709	1772.60589	1906.410449	1729.413429	1841.03408	1998.566337	2079.327747	1926.34459	1852.357646	1839.890815	1849.783054
10.81_311.1838m/z	311.1838222	10.80621667	neg													1569.552233	1628.458861	1796.254471	1976.035113	2562.937804	1861.449338	1526.126904	1260.918366	1997.995226	1492.963173	1730.000106	1346.422216	2408.884505	1848.813461	1716.430595	1982.560215	1696.617084	1593.199294	2174.622291
10.81_485.0055m/z	485.0055114	10.80621667	neg													13345.65894	11460.7737	11687.69029	14169.7766	14839.98663	13181.06842	12502.98725	16356.47086	13277.52052	13522.99756	15229.14676	11614.79435	13959.23531	13918.21455	13911.89791	14545.41618	13937.95189	13162.60712	11502.05047
10.81_546.0321n	545.0175175	10.80621667	neg													89392.48543	79079.39224	85709.23199	86665.61992	84038.51383	83218.66373	86563.40031	90243.67726	85020.58528	84226.06552	89040.55854	80210.80227	88847.19526	84450.55368	84457.92465	89932.5323	86154.9408	85408.95437	83669.75177
10.81_553.0160m/z	553.0160334	10.80621667	neg													35724.80027	31458.08992	34657.71842	33750.16828	31008.43937	32851.62619	34665.5969	36069.66713	32494.7136	33596.55263	38056.87087	33545.5492	34151.86802	35267.50209	35207.16064	34484.56695	33531.25438	33116.91837	31936.38422
10.81_661.0688m/z	661.0687742	10.80621667	neg													3396.202867	3297.037932	3977.972066	1150.322393	3657.087789	3485.747195	1875.385965	2241.426762	4709.202868	2419.069851	4278.002851	3745.774727	1051.513093	2873.594944	2076.720899	1599.930964	2806.461006	3556.187825	974.3585418
10.81_745.0282m/z	745.0282328	10.80621667	neg													45264.61055	34739.09889	39824.43694	37634.57957	39992.14128	43823.06358	39204.68646	39261.69545	37257.79193	42487.69737	42938.79718	36936.02326	46275.90001	40444.32695	41137.26907	46042.14417	42705.77222	41722.82094	41752.28939
10.81_825.0374m/z	825.0374242	10.80621667	neg													6763.811985	6776.976546	6452.756799	8067.713426	5677.079775	6522.625369	7983.675405	9689.722139	6750.372167	7036.701992	7800.093889	5366.124759	5335.623646	4915.188762	5184.847885	7417.257545	4950.647018	7074.821236	6303.082943
10.82_183.0096m/z	183.0096211	10.81821667	pos													4580.335128	4737.047185	4654.910189	4754.412322	4262.726249	4049.812024	4699.818849	4675.006948	4411.736596	4381.350426	4537.112294	5672.826368	4582.148751	4902.275848	5440.342908	5688.617499	4767.240364	5050.417774	4180.96698
10.82_325.9368m/z	325.9368098	10.81821667	pos													4412.646016	4260.363714	5162.712868	4990.656393	4081.682469	4360.736871	4830.843968	4780.351402	4396.735613	5285.131903	4999.480202	3959.78418	3395.186972	4922.864203	5621.239714	5819.180246	5399.182629	5069.598068	4438.425617
10.83_509.0058m/z	509.0058295	10.82751667	neg													16634.35368	15150.58366	15855.78588	16831.64979	16155.82233	16627.52253	16201.2178	17229.86234	15866.10782	16147.33203	16337.09746	13612.48185	16641.7744	16502.62915	15373.19386	17688.04964	15328.27205	15598.58722	15110.844
10.83_520.0326n	565.0193748	10.82751667	neg													74254.82021	63953.25382	75864.58128	70889.84188	70444.62982	67405.22101	74683.36225	74602.57018	70713.88935	70149.36183	74084.40647	63445.48743	68622.25282	71414.41834	70471.10848	71122.42261	69206.15875	73964.3857	65157.81405
10.83_597.0549m/z	597.0548713	10.82751667	neg													6105.862153	4812.154362	5820.42825	6619.342846	7620.548639	6931.537228	4857.953984	5232.922702	6476.408389	6566.143604	5320.707891	6448.476457	4694.941384	6345.991615	6157.842454	5573.726006	6958.340896	4955.227959	5969.49853
10.83_597.3007m/z	597.30069	10.82751667	neg													1184.948469	905.3696384	1269.280396	616.3127604	1252.452928	1072.590814	1138.957944	492.1350747	890.2434559	427.7394796	935.6051368	1568.181898	1116.805369	839.4655539	980.4353419	1655.346571	885.0387425	1038.715759	1196.633808
10.83_697.0117m/z	697.0117207	10.82751667	neg													6735.655243	5719.137337	7694.048883	5553.96345	5094.452746	6617.682121	6270.605786	5459.848909	3891.977291	5369.982749	4818.872494	4082.643395	4973.451917	5593.127744	7537.598498	6979.588206	6479.240112	7886.210874	5746.589945
10.83_732.0392n	713.0213755	10.82751667	neg													90294.0486	76391.55035	86244.41837	86516.30168	77127.14789	83520.32113	76772.7617	72480.61604	79948.94641	82251.25697	82745.52693	77976.99037	83155.50758	84984.48378	82325.29408	89423.09616	88716.00797	80523.89757	75675.88389
10.83_773.1752m/z	773.1751795	10.82751667	neg													24205.72542	23887.79332	24522.60049	24952.11288	25031.8541	26707.79837	25271.14626	26632.21603	25841.01021	25877.04867	27761.55529	23626.41241	22554.62215	21631.95824	22575.2939	23794.82724	25163.50443	25648.31297	24614.04792
10.83_787.0394m/z	787.0394044	10.82751667	neg													9476.337448	8626.054588	10011.03979	8945.862452	7806.793974	7973.613904	8517.034406	9365.081757	8700.745684	7644.185014	7472.761642	6796.441116	8712.564469	8318.929396	7850.384624	8077.79074	6256.476805	7515.508277	6871.206552
10.83_790.1657m/z	790.165724	10.82751667	neg													3458.317532	4534.812437	4983.414723	4018.752115	3958.693816	4554.19457	4402.800143	4642.606779	3913.635309	4940.455889	4989.15095	3985.07921	4271.912081	3919.448491	5508.338072	4838.180507	4001.351148	2870.803239	3646.118082
10.83_815.5534m/z	815.5533815	10.82751667	neg													318277.8609	330222.7851	322017.0671	354399.8574	331800.5055	360494.4261	398964.4733	402339.9159	390931.4141	367580.9785	402974.3547	11018.67986	401488.0616	446019.7099	437389.0937	387036.3653	370174.8234	317328.0463	321601.7596
10.83_873.0999m/z	873.0999039	10.82751667	neg													2284.207127	2133.219707	1418.764496	1978.408384	1716.641577	2175.163535	1604.13848	1496.413539	1016.764249	1887.974935	1922.140836	1570.650924	1944.741451	1439.116434	2572.689307	2069.36083	1540.21285	2003.300582	1655.610902
10.84_472.3992m/z	472.3992077	10.83978333	pos													15321.21819	15507.41659	16435.98878	12813.5043	14632.41621	22135.01289	14111.03681	22733.72652	16356.55703	14526.10642	14329.75217	15609.53359	21290.63613	22217.92599	11744.64929	14208.65887	17953.05827	15478.42984	16184.52673
10.85_339.1997m/z	339.1996682	10.84901667	neg													1474.142457	809.8255093	1327.751541	1533.989432	1275.214578	1404.034512	1270.961371	1060.512213	1439.533261	1179.815321	1537.33949	1419.268943	1413.323673	1579.091787	1372.76955	1427.92762	1149.805962	1596.207837	1328.975947
10.85_408.2212m/z	408.2212245	10.84901667	neg													1550.947705	1352.639737	1323.34017	2511.329166	3623.452812	3221.543054	1726.887294	0.000297236	0.000297236	2440.045836	1441.195667	0.000297236	2642.274136	2849.087747	2376.256086	1287.753924	1670.745828	1746.390942	3307.050132
10.85_416.3381m/z	416.338113	10.84901667	neg													2872.463575	2799.246951	2921.14602	2405.923159	2730.388795	3116.147429	2837.002198	3152.945734	2911.538485	2678.763245	3068.830995	2399.266329	2979.873442	3046.707523	2950.870332	3445.17489	2674.016964	2991.01483	2767.78486
10.85_481.3020m/z	481.301964	10.84901667	neg													2776.93455	2383.793014	2424.055862	3025.724339	3233.819837	2860.305089	2693.187594	2814.541373	2643.122927	2644.622452	1955.980373	2979.313134	3361.298243	3010.966635	2491.631715	2800.694849	3103.665498	2568.630049	2950.378356
10.85_497.0197m/z	497.0197427	10.84901667	neg													9603.947549	9523.709533	9986.490003	9520.524859	9484.898746	10004.42137	9776.80909	11033.53842	10222.64776	9294.17542	9689.566346	10846.06687	9730.286704	11217.77811	10304.87624	10893.45028	9762.385698	10088.04827	9678.241934
10.85_537.0152m/z	537.0152371	10.84901667	neg													68105.99949	62103.14493	63580.39444	67421.44674	64059.42142	66148.68921	65432.46524	68449.40033	63128.38356	63611.09456	70103.27597	62771.96398	66196.78696	65045.09389	66416.33573	68057.82702	67568.27929	68425.36509	65017.86975
10.85_541.2895m/z	541.2895157	10.84901667	neg													1837.927275	1528.335108	1198.862432	1448.253236	1785.302735	1568.636302	1023.577074	1040.049313	1490.165213	1411.167786	1026.666949	1712.456297	1748.615141	1493.951062	1666.33604	1005.553553	1140.326357	1064.701236	1333.947707
10.85_550.0051n	548.9978177	10.84901667	neg													26751.63027	20608.84688	24101.34451	24552.82624	24691.81461	21564.00504	23377.87416	22067.03131	21995.65635	23163.23763	24064.63428	24577.22735	25603.65222	23722.29353	24480.5829	24752.8956	22335.11769	24758.52954	22491.83075
10.85_563.0128m/z	563.012791	10.84901667	neg													41032.39542	35568.87067	40988.0877	39479.13574	39780.03402	38785.15727	41230.867	40758.85163	38841.35667	37021.20924	43302.51327	41434.34815	41268.13222	40041.29702	42960.65837	40997.53339	41777.35238	43404.51282	36627.57221
10.85_563.2715m/z	563.2715038	10.84901667	neg													2592.132845	1572.869418	1960.753566	2219.412531	3026.73529	2536.553657	1809.205282	1831.792338	1582.374549	1667.255941	1882.426331	2085.822324	2781.163872	1859.821254	1910.084961	1651.105645	1522.845784	2106.151196	1796.54327
10.85_578.2190m/z	578.2189767	10.84901667	neg													9936.373684	9378.444617	8562.88887	9260.05784	11596.59741	12138.40618	10672.12834	9233.329416	9742.0541	9555.622575	9313.586582	9010.018533	11718.03795	10901.22931	8462.435222	9428.556797	9480.470849	9625.498915	9404.438648
10.85_626.2245m/z	626.2244567	10.84901667	neg													3539.519506	2381.582294	2376.077655	2124.14818	3864.242325	2603.462166	2960.519835	2517.693376	2183.34425	1635.113079	1796.588987	1654.923673	3534.729408	3230.388653	3447.58132	3907.226359	2675.008723	2514.835195	2517.991031
10.85_654.9990m/z	654.9990122	10.84901667	neg													22011.65129	19205.30987	22278.28622	19019.61801	20740.0009	20558.96187	20533.69586	21189.97634	21354.45295	19667.00506	21265.46693	17633.99744	21228.01079	20341.62971	21987.07865	20595.41891	20411.44379	22257.65999	21541.41558
10.85_682.2562m/z	682.2562093	10.84901667	neg													10971.01963	9270.38841	9410.252792	10127.1782	13027.45439	10853.68391	10110.68703	10333.7742	11027.16993	9230.273758	9233.354459	11084.22925	13423.31224	10824.43914	10399.11476	10865.53635	9936.162441	9495.864835	10840.45169
10.85_699.0043m/z	699.0042626	10.84901667	neg													10254.03362	6986.330897	8190.448127	9571.365804	8348.604361	7433.009907	9993.090902	6327.546319	6744.378186	8963.447086	9570.948094	9179.136118	8616.047204	8321.338445	6983.274334	9012.844105	7511.929476	10828.65541	8714.760205
10.85_738.0303n	719.0124562	10.84901667	neg													169993.9837	132188.6879	154873.1238	153573.1396	142839.8928	146502.4219	153364.159	149853.3702	141837.1334	149518.8801	158040.4378	153520.1869	161146.1576	161310.4141	156271.7974	162623.3912	158788.4518	154124.1452	148943.9591
10.85_750.2436m/z	750.2436126	10.84901667	neg													5796.290609	4856.660717	4147.40498	4576.925381	6136.80658	6362.963368	5157.135656	5012.837916	5658.973441	4601.41585	5168.588332	5906.799428	7118.999477	6157.915111	5384.600828	5201.14163	6213.958281	4326.971167	4099.643529
10.85_818.2312m/z	818.2312186	10.84901667	neg													2979.56848	2174.422145	1935.984299	2219.607009	3292.621771	3701.579976	3198.691401	2971.938574	2516.00905	1689.619035	2844.079109	3155.940994	3843.136822	4127.47855	3972.102003	2970.896209	3852.963777	3705.875417	2992.934313
10.86_267.6168m/z	267.6167992	10.8603	pos													1407.270656	1191.566645	1777.063431	1292.689235	2443.058146	2329.796449	1412.192192	1734.247314	1463.107934	1699.219238	1039.984213	1505.725463	1874.28561	1910.884432	2000.384534	1422.435809	2453.455849	1886.245567	1708.917795
10.86_268.6172m/z	268.6171784	10.8603	pos													4344.209182	2633.749525	3394.319551	3907.500525	4883.353038	4666.449481	3497.633764	3932.990583	4078.231095	3755.908252	3652.855299	2548.736373	3823.973733	3422.622237	4022.511548	3980.308867	4533.419685	4498.550032	3759.02524
10.86_289.6321m/z	289.6321232	10.8603	pos													3563.310814	2805.720303	3391.733956	3368.484854	5360.455269	4038.089173	3009.327717	3032.054389	2307.029222	2974.787173	2776.614425	3715.722677	2884.722525	3851.801198	3890.691815	3407.577387	4496.076049	3649.484461	3956.13508
10.86_371.3392n	394.3283715	10.8603	pos													28774.58667	21527.8957	27706.17052	28093.70284	25777.35657	25137.46806	28435.5029	28150.97221	25941.94103	26722.65086	28599.6875	27230.41931	27145.35894	31721.29301	32991.61829	33376.87535	31039.1674	36151.07788	27795.9461
10.86_430.3788m/z	430.3787509	10.8603	pos													14327.54956	13375.97298	14850.98495	10566.28707	14644.99228	15860.25419	16836.6055	19674.43602	17388.21021	13612.32572	10192.86366	20723.21027	15797.82488	13455.10386	9766.793599	11653.62609	12086.88055	11266.29965	10592.31236
10.86_483.3163m/z	483.316261	10.8603	pos													5034.24663	4766.666399	5985.276169	4487.423796	6236.098457	6706.00507	4280.540714	4784.625538	5493.011369	5052.207951	3755.540247	6021.412653	5015.905494	3363.099654	5215.24056	5251.716695	4500.596265	5338.921945	5595.83628
10.86_524.2720m/z	524.2720185	10.8603	pos													8456.990325	5771.559115	8974.716412	7146.496998	11551.29073	9651.379942	8682.7312	10490.64787	9609.506183	10474.7914	7910.32901	5511.535567	6785.935691	7316.310732	9134.197449	9110.283313	9519.549901	9237.633169	9617.385038
10.86_536.2276m/z	536.2275969	10.8603	pos													6973.255407	5549.958578	7385.200618	6548.124025	8919.913038	8176.607163	5955.18436	7596.156741	6647.650962	6702.58809	6617.23567	4745.314157	6985.60178	5813.298207	6566.991362	8154.252846	8132.721263	7323.15072	7492.392812
10.86_917.5965m/z	917.5965339	10.8603	pos													10154.33967	7316.216483	11319.47373	8650.269309	17336.94127	12127.90176	11033.74951	8595.700177	11347.76025	8820.823655	9187.49982	9466.490041	12950.8734	12915.95944	11647.07151	8026.728227	11062.04263	7780.83607	13745.81348
10.86_959.6068m/z	959.6067898	10.8603	pos													14748.19788	15184.71443	14870.88547	13366.72794	28560.99811	26390.40787	13931.37989	12859.74717	17574.63024	14396.75738	12552.7974	17213.03978	16785.10853	19373.15131	17689.93591	17101.2809	15443.83289	15190.0274	16732.9197
10.87_411.2152m/z	411.215235	10.87058333	neg													2958.528644	3496.970928	2879.83168	2520.705916	1838.663255	3202.649079	3062.673478	5987.203056	2121.476371	3263.656486	2721.900788	4373.081062	2199.758501	1738.777722	2404.031732	3836.37923	3022.190111	4770.446723	4240.697637
10.87_472.3643m/z	472.3642808	10.87058333	neg													12823.0742	9734.786075	11165.28598	9174.93582	11758.4459	12790.03396	12804.16488	16812.51652	14490.42783	9615.605157	9640.739954	15876.26084	13943.13059	11095.67539	7872.343403	8746.30747	9492.650018	11404.65733	9382.104585
10.87_499.0193m/z	499.0193278	10.87058333	neg													12177.70285	11624.73326	13728.07192	12251.12982	10396.19346	12189.02716	11609.9822	11801.69469	11899.21544	12003.37211	13146.60396	11801.8267	12103.95183	11885.93242	12052.27463	10833.62527	13085.59568	12805.92664	11653.34519
10.87_502.9947m/z	502.9947051	10.87058333	neg													2791.769798	2281.657751	1967.052792	2882.894445	2649.423118	2582.729313	2926.697773	2634.705067	3308.907135	2076.112337	2459.84014	2875.540668	1064.813523	2931.232528	2793.956671	2759.82827	2834.69265	2672.137751	2550.31951
10.87_536.2087m/z	536.2086718	10.87058333	neg													4196.124702	3135.8749	3573.457158	4493.13345	4840.085624	5053.387934	4689.952049	4384.346921	5738.445595	4158.236777	4316.518705	5081.448824	6747.815618	4802.916798	4628.721094	3890.625052	4268.053892	3377.333981	4737.451854
10.87_540.0257n	539.0126496	10.87058333	neg													52980.14067	46842.1126	49823.34165	46924.23504	51580.4565	48478.71414	51141.44499	50868.34367	50415.84534	50391.0259	54002.40256	47905.89881	51159.0558	49926.92133	48818.80491	48765.01336	51675.87787	49850.78053	43815.01492
10.87_544.0327n	543.0079927	10.87058333	neg													77098.90974	71088.89264	77517.77969	76107.4817	75294.73549	75913.73296	78449.71752	85125.79699	76429.91663	74215.09213	81095.87414	73095.99921	75339.10141	74451.16705	77141.77723	78780.46219	82115.32592	79426.7087	72855.46833
10.87_572.2583m/z	572.2582584	10.87058333	neg													12442.75296	9645.386223	9958.060738	10396.02608	10465.88535	10742.67396	11666.23771	10911.90942	12879.88336	9133.339741	12550.42477	12151.98993	16351.40073	13388.58539	11387.83621	10837.73755	10485.76595	11423.37517	9730.052074
10.87_576.0227n	621.0199419	10.87058333	neg													78605.87199	67691.05029	74592.78521	77996.74532	69727.97544	69253.48189	71173.00575	77572.31949	74065.66831	69715.56865	77064.5939	70592.79424	76582.08742	70696.20312	72144.32851	75797.17609	72409.11039	73294.50527	73217.48408
10.87_578.0339n	577.0136947	10.87058333	neg													76365.70351	65973.1128	76027.59398	72704.81636	72004.60106	71924.0252	74234.47311	76870.87158	70538.0483	68609.23749	76933.48253	71705.4293	74472.5352	72670.4985	77560.7229	73450.12094	72219.4105	78044.47405	69276.04229
10.87_616.3618m/z	616.3618148	10.87058333	neg													31334.63025	24406.6971	29909.25877	29478.89785	28357.92746	25880.93814	30526.3712	36315.65659	48255.36543	21001.11332	29173.02057	56402.30034	33941.41986	31102.41544	31332.64145	33218.33962	34113.81885	30882.52715	32682.95786
10.87_706.0229n	751.0189241	10.87058333	neg													169191.9677	129407.9717	154291.1424	147659.929	141170.0319	148271.9221	142779.4279	150217.5311	136117.7434	145786.2217	150379.0103	148994.9113	159405.3594	158789.1693	157137.1892	161502.4151	148933.7826	147838.9346	150286.1901
10.87_708.2332m/z	708.2331844	10.87058333	neg													1672.285364	1521.587608	1878.50567	3037.821905	1777.876103	2786.777116	3787.599033	1851.40236	2212.464518	1589.932725	2538.023401	2665.625152	3851.4493	3627.374015	1451.553447	3052.077791	2066.834363	1980.346803	3285.796076
10.87_915.5843m/z	915.5843302	10.87058333	neg													8214.33065	5163.38911	5453.469266	6465.767575	9671.768429	7874.263504	6236.583198	5963.285689	8770.724227	5057.904474	5330.038053	8321.511418	11115.98853	7666.100665	6620.068835	5383.611622	5461.009643	5460.012793	6825.342978
10.88_288.6390m/z	288.6389781	10.88211667	pos													10637.73715	9153.2153	9875.621289	10174.37826	11739.19663	10876.15006	10431.1256	10070.11073	10977.7108	9558.167725	9446.013966	10369.13688	10114.14618	11070.20289	10648.18384	12078.48556	11881.66228	9521.66078	11791.99604
10.89_498.3549m/z	498.354876	10.89226667	neg													20168.13303	17819.22235	21758.47134	23426.21466	19473.20477	19361.03088	16204.02783	27236.23649	29685.06828	15852.39348	18524.81115	33804.41324	18547.37923	19788.31745	22232.26049	21134.06353	20585.53103	24419.80045	19994.03318
10.89_500.9980m/z	500.9979672	10.89226667	neg													1417.443173	1483.493794	1340.981499	1234.184039	958.1382361	1192.161833	768.7560963	1273.375078	1085.99158	1012.50902	1227.745372	1079.904147	1353.793684	882.6681818	1559.700596	1032.649461	1184.227176	1051.022932	1191.197584
10.89_506.3252m/z	506.3252496	10.89226667	neg													3317.982335	2511.999067	3324.264686	3470.818364	4640.304638	4512.442953	2316.652193	2822.005078	4061.768778	3633.181579	2668.341922	3270.717924	4516.069204	3435.945781	3445.594411	3375.784006	3251.367759	2699.647244	3834.362888
10.89_556.3179m/z	556.3178756	10.89226667	neg													7029.195232	7475.361966	8169.332357	7671.246271	9776.935231	8962.806123	7952.637358	6895.549653	9953.097489	7444.771951	7156.191081	8964.379754	9602.105474	7848.870585	8005.956789	7088.808286	7194.146285	7268.299223	9427.498426
10.89_573.0165m/z	573.01654	10.89226667	neg													15928.56995	11845.84639	15505.45381	14261.61526	14287.69155	13341.65684	14761.68985	14859.18668	13565.70906	13255.45846	14964.4536	13128.2669	14098.48382	13154.75472	15213.2406	13689.06811	14293.51738	15144.65599	14013.96337
10.89_625.0229m/z	625.0228882	10.89226667	neg													13917.19311	10992.29099	13029.83521	13322.34989	12160.77099	11723.74154	13612.50829	12346.86205	12676.33299	11155.5741	13072.06145	12451.68183	12115.9976	12582.52456	12595.07107	11712.33869	13354.12112	11136.71711	12758.22108
10.89_714.2772m/z	714.2772015	10.89226667	neg													959.1915552	1351.275738	1097.03225	663.2495373	1243.271168	1869.778257	746.1814793	1091.729316	1706.434339	1488.295912	774.5856026	1441.316589	1466.963494	1703.858511	639.3357816	2156.248884	1443.917436	960.5547971	1703.325153
10.89_729.0200m/z	729.0200176	10.89226667	neg													57462.20727	40785.66823	49329.64462	49524.15144	48880.17533	46463.00858	47993.61597	46404.99867	46476.65169	46932.01638	46440.59049	48577.03922	53205.39306	49469.93046	49400.60834	53428.16928	49687.18681	52092.82023	49485.24852
10.89_731.0106m/z	731.0105623	10.89226667	neg													20947.766	17885.35321	20269.3216	18518.97706	18776.31982	19999.07024	18187.18569	20130.25883	18913.71452	15971.53298	20598.20438	18820.35497	19271.983	20692.72416	20429.80663	20633.63019	22023.25523	18242.98379	16206.99923
10.89_957.6309m/z	957.6308739	10.89226667	neg													2973.300813	2058.117772	3002.748629	3683.558762	5516.04591	4123.766176	4082.760603	3410.442379	3723.694157	2182.796516	2488.729104	4837.680785	6363.522298	4394.59629	2507.824195	2529.720942	4891.320261	3451.163093	4292.91845
10.90_1042.6921n	1065.682827	10.90216667	pos													16572.36852	15198.21646	17492.77466	16031.3819	29905.60751	38271.11903	19054.1915	15645.32576	23385.20802	19971.9255	15016.55536	19508.52737	20658.58775	17364.64347	17359.89616	15961.26879	27312.36663	15293.37318	22937.54118
10.90_289.6407m/z	289.6407421	10.90216667	pos													15799.16718	14210.88855	14160.21449	12514.12864	20206.01249	19523.9872	16411.58355	13547.77665	16065.24622	15365.30448	14978.49561	13046.61733	14943.27983	16025.10561	16749.88356	17097.72964	17092.0717	16191.20561	16414.46766
10.90_290.1424m/z	290.1423788	10.90216667	pos													3177.243697	2605.142449	3682.331474	2369.732447	3164.020348	5031.608581	2947.886458	2909.72691	3626.915991	3045.058256	3607.257437	3218.646791	3234.116255	3402.92921	3887.211922	3860.919822	4342.933268	3984.950364	3659.990628
10.90_310.6554m/z	310.6553957	10.90216667	pos													1950.512686	1806.241681	2414.184741	1199.032974	2241.862201	3123.992064	2166.937875	1612.571103	1701.535164	1315.207417	893.7351742	2410.02513	1528.04122	1819.824449	1351.22775	2392.693722	2349.304816	1815.837252	1946.801345
10.90_500.3687m/z	500.3687131	10.90216667	pos													29026.13548	28332.46339	29923.39617	34582.47754	25406.70165	30545.05026	24063.8119	39146.98401	42481.45509	22566.05596	25938.80677	49917.28527	27631.28674	29174.06802	32891.07056	31226.63105	29950.04337	33269.21995	29255.41596
10.90_525.3629m/z	525.3628631	10.90216667	pos													8920.171238	7891.994946	7860.627196	7450.518746	9357.769359	11217.83113	6631.896019	7228.201266	7904.981681	7922.826048	7081.259079	10036.63131	9063.752453	7605.563445	8178.562067	7122.399354	9507.729039	7520.123513	8061.823718
10.91_1087.6934m/z	1087.693412	10.9122	neg													4076.444133	3176.039013	4882.560974	2196.619553	7485.367816	8649.628469	4628.34114	3100.459383	4944.030789	6302.085202	4326.44851	3958.052744	6401.078648	5425.455494	3834.475563	4834.083344	6355.062738	3840.713706	4717.838779
10.91_417.0157m/z	417.0156998	10.9122	neg													2638.265882	2748.938476	2954.959233	3005.896526	2385.440561	2930.744519	3487.218012	3360.255045	2882.45142	4462.081926	3370.563969	2439.926297	3476.343669	3140.444588	3091.477289	3066.957575	2926.003175	3167.008675	2240.975169
10.91_489.0000m/z	489.0000062	10.9122	neg													4962.767282	5255.559178	6295.14488	4530.367323	5380.74294	5778.076588	5867.125364	5878.241873	4540.910749	5448.753615	6558.712386	6200.43352	6794.926546	5898.500304	5250.845315	5387.391918	6103.119334	6551.843118	4519.906054
10.91_533.0203m/z	533.0203358	10.9122	neg													95886.08673	86274.9678	89994.67158	93928.45566	87955.16165	90198.91589	90478.29681	93451.10285	94531.79591	91307.46155	93160.36583	84757.49611	94512.1646	86013.64808	89523.10578	92400.73784	92256.09842	93179.57464	86857.43713
10.91_552.0199n	551.0126672	10.9122	neg													75660.70824	66839.15403	77372.44102	73539.68443	72370.99478	71174.15935	74313.91748	74798.21021	72891.78628	75436.16939	78384.02225	73464.46647	78147.61538	72209.99817	76003.26366	74626.65542	81399.49815	79458.16342	71517.00173
10.91_558.3148m/z	558.3147519	10.9122	neg													2158.3009	1823.749962	1860.853918	1202.502339	2298.701222	2290.936593	1644.81051	1585.555281	1450.852782	1276.697216	1457.786209	1832.211684	1496.75292	1649.493701	1576.146891	1346.242335	1931.367538	1742.73972	1446.03202
10.91_603.0453m/z	603.0453249	10.9122	neg													3355.468698	4632.170296	4772.166247	5177.801195	4261.852836	3745.835975	4837.696021	4762.080042	3874.607785	4325.481066	4246.634304	4353.292073	3629.170021	4338.318437	4185.77185	3363.285193	3781.23559	4076.803615	3498.539596
10.91_638.2767m/z	638.2766573	10.9122	neg													8071.669449	6078.213061	7203.926575	7822.628529	10003.72864	10915.63471	8512.135282	7001.972513	9715.718846	8520.71992	9119.400207	8141.374144	9094.34288	7543.278401	8231.380212	8162.597017	8364.146972	7411.763845	8828.208573
10.91_660.3104m/z	660.3104282	10.9122	neg													1296.80449	1456.208873	1229.785402	1358.131879	2008.431073	2718.513239	1106.794453	2434.545714	1813.227847	2010.341678	1365.359962	1205.994381	1464.680483	1064.124384	1272.494325	1782.638272	1333.70684	1030.71736	1670.707185
10.91_702.3210m/z	702.3210397	10.9122	neg													19493.39169	16520.43995	21667.25246	20898.00365	24234.45574	26119.13182	21398.81248	18847.20129	24485.822	25683.64345	20252.61728	21086.74046	24010.57967	21144.77825	21902.12467	20700.90834	22759.44731	19573.30392	22309.52148
10.91_763.0174m/z	763.0173977	10.9122	neg													18682.54194	19259.07463	16714.91002	20988.94282	16373.2802	17337.84934	16932.57283	16907.08795	18170.45259	15519.85357	23046.36398	16817.31909	18331.20876	18886.84544	21092.19253	16980.08204	21357.82441	20939.646	17247.88077
10.91_770.3085m/z	770.3085202	10.9122	neg													8165.498111	6176.874701	7201.051408	7673.555891	9095.886201	9854.392993	6655.230782	6753.571535	8073.738242	9001.801806	8690.248273	8085.142799	8186.280352	8702.712931	7770.424437	8008.016044	7741.619832	8162.278231	7547.695429
10.91_838.2956m/z	838.2956371	10.9122	neg													2977.428941	2827.587211	2992.122009	2396.1	4636.575548	4805.242258	3268.462835	3476.131412	4585.715973	4451.268664	3108.507202	2954.301036	5981.945083	3395.582367	3193.618763	3374.898113	3996.770779	4399.503389	3885.305101
10.91_854.1776m/z	854.1775931	10.9122	neg													3038.159591	3357.043945	4096.155151	3632.043048	4235.756744	3796.537123	3962.267034	3894.31672	4168.278226	4039.905391	3891.708311	2972.315917	5268.553236	3450.46628	4366.192218	3897.831841	3678.848103	5514.456853	3763.460634
10.93_1007.7041m/z	1007.70412	10.93288333	neg													2637.267148	2475.714246	2169.164258	2488.836632	2337.840104	1405.371766	3581.083762	1140.250382	1417.386454	1034.386365	2230.975624	1848.909115	2256.755625	2304.879579	1910.878668	527.3465105	2869.002167	1390.480011	4294.83705
10.93_515.0147m/z	515.0146976	10.93288333	neg													13800.11643	13781.09701	15872.85399	14418.41856	14795.78845	14450.58189	17522.98747	15887.52499	12590.59767	14997.14904	14844.60447	15487.92211	15889.59859	14911.54293	14830.00971	15650.27055	14925.43546	16949.0584	15273.49987
10.93_516.3225m/z	516.3225276	10.93288333	neg													6350.449406	5380.671496	5486.341374	7555.066015	6886.658181	7173.2908	8936.677312	5263.331829	5883.503701	5749.663973	7724.473123	5903.148296	7872.065173	7921.481383	7040.635898	5812.574689	6458.285488	7326.85828	8731.736385
10.93_519.0063m/z	519.0063412	10.93288333	neg													14589.1705	13606.25143	15024.42393	14391.5953	13478.52972	13285.56929	15009.03088	15544.52054	13125.57729	15527.12539	15492.93886	13936.97166	15342.50028	13697.51408	13099.07363	13394.23615	15430.81648	16123.13754	13767.82755
10.93_544.3180m/z	544.3180244	10.93288333	neg													1740.937701	2069.48772	2636.733984	2858.843701	2521.006125	2293.404736	3043.715249	2861.718694	2789.143521	2796.214866	3192.130183	2791.872285	3710.510608	2059.109436	1710.116134	2297.015852	2264.652499	3041.319206	1996.655636
10.93_557.3545m/z	557.3544766	10.93288333	neg													799.1993512	769.0147437	1070.162624	1156.747735	1285.392772	932.9992478	1584.397314	1229.884355	1218.496766	686.5429046	1557.956482	973.3692391	1431.37329	1033.06809	894.4680583	256.3353618	772.9239705	1256.075906	1432.238639
10.93_571.3366m/z	571.3365625	10.93288333	neg													1456.283003	1237.430047	1407.907552	1665.059633	1258.473084	1397.938507	2188.870135	1975.045978	1698.960229	834.3610998	1338.651557	1372.38144	1916.256993	2012.176166	325.8839558	895.6377175	1485.217539	1903.272386	1194.834561
10.93_598.2817m/z	598.2817338	10.93288333	neg													6538.481945	4529.673151	6161.649643	6624.258008	4640.798572	5869.412279	7019.234829	4351.851201	5666.455841	4786.151226	7520.347883	4048.841929	7161.572986	5969.408381	5762.966357	4717.302168	5381.053872	6247.577942	6421.710088
10.93_627.2791m/z	627.2790686	10.93288333	neg													615.4758837	740.4222593	833.938118	577.568415	986.8460044	642.2469792	1453.146616	1157.129826	843.8990311	842.3756953	1253.598886	736.6892437	1231.759917	751.4466066	411.5780598	438.3407573	662.6069726	649.9596156	296.8291328
10.93_659.0519m/z	659.051922	10.93288333	neg													2920.381794	2493.338662	3852.45244	3932.76909	1811.752274	1086.557274	2774.441699	1342.768874	1689.628325	1623.631491	34.0178789	2389.565557	2464.822044	3116.704523	2566.712563	1391.281564	2051.932806	912.7940132	2747.37875
10.93_662.3265m/z	662.3264793	10.93288333	neg													15600.30507	14009.24187	15660.75001	18194.95693	17299.83645	18718.07358	18211.7864	13922.43821	15476.72411	14017.00688	17513.92532	14758.92249	21449.28394	21548.21232	16995.5937	15262.81548	17232.87635	17844.35229	18840.15837
10.93_730.3137m/z	730.3137219	10.93288333	neg													5324.486412	4111.7795	6386.359252	6369.967611	6420.052622	7607.285386	7722.417672	5520.452915	6483.83513	5690.205298	6862.919217	4015.316534	7685.543406	7475.589241	7140.404042	6409.896175	5736.884797	6034.21908	7567.391587
10.93_789.1698m/z	789.1698446	10.93288333	neg													2745.152823	2336.153335	2582.976689	2569.802863	2505.148481	2632.785087	2534.728805	2088.352418	2313.153468	2023.843566	2307.072299	2525.968787	1779.945178	2187.238063	2017.382645	2007.214586	2039.474912	2207.424105	2466.135656
10.94_1152.8119m/z	1152.811885	10.94183333	pos													2509.987533	3013.379395	2451.04437	2640.349589	0.000297236	0.000297236	1759.693894	1935.424895	0.000297236	0.000297236	0.000297236	11711.78308	0.000297236	2558.500998	12257.90845	8055.553422	1473.775178	3839.65242	3379.306457
10.94_290.1563m/z	290.1563218	10.94183333	pos													16263.19123	12296.9832	14981.07802	18336.02837	16243.6049	16662.12442	17022.54204	12560.90669	14261.63292	13981.73425	17677.07572	11572.76689	15679.64284	17392.16537	14785.85528	14737.94355	16806.38717	16169.33896	17737.02276
10.94_290.2451n	313.2342927	10.94183333	pos													22779.95481	21984.86698	22112.09355	24495.09212	33036.83982	29468.91393	31703.63298	26914.49312	25643.54524	27861.52499	34848.52029	32857.89898	29428.37777	22519.87024	31823.28442	25726.43593	24335.91517	27601.2312	25618.44804
10.94_290.6580m/z	290.6580311	10.94183333	pos													3937.464647	3399.745455	3986.527313	5056.313218	4721.405889	4111.470283	4348.673899	2940.054776	3398.414583	3107.725826	4811.986488	2792.877498	3554.826417	5097.665505	4080.791164	4314.149763	4141.866814	3494.556311	4453.335397
10.94_300.2713m/z	300.2713482	10.94183333	pos													44615.90203	61427.81533	53003.55517	28920.55514	76796.25908	15889.13569	62992.26417	1145.90422	2867.472211	34031.94307	29966.9783	7418.489624	89877.7523	152883.3272	104037.2834	92498.19064	76149.17109	46735.24712	38683.41526
10.94_303.1540m/z	303.1539939	10.94183333	pos													934.4029274	1017.299415	1173.935395	1177.87767	1267.190247	910.1178746	1518.909582	1000.649934	974.1498403	1117.489113	896.0381674	1028.052972	1248.441423	1332.858586	654.2069848	681.2377996	741.2040381	1828.711893	1316.234601
10.94_304.6554m/z	304.6554318	10.94183333	pos													1589.301657	2179.653236	2420.976862	2139.368496	2145.453951	1762.188691	1485.886455	2113.388079	1788.432423	1643.709457	2408.185663	1091.808267	1401.236325	1860.166856	980.366438	1077.710883	1878.044212	2255.384115	1426.886264
10.94_310.6696m/z	310.6695696	10.94183333	pos													7480.524491	6274.842569	7761.407688	8025.972956	8111.385907	7387.606479	9183.550781	5834.960598	5712.74678	6038.744355	7365.597721	3927.143926	8476.319255	8726.301853	7778.573368	7634.054525	7458.063873	7336.229979	8746.797081
10.94_456.3949m/z	456.3948614	10.94183333	pos													1458.211015	1979.62056	1523.478923	1011.985309	2038.967296	2221.830173	1254.457186	2950.33193	1447.49018	1160.166614	1046.781124	1502.579957	1274.686675	1178.813253	734.1493962	968.2288878	1589.572121	1212.134832	1528.544081
10.94_510.3761n	528.4098789	10.94183333	pos													21399.98568	17957.80675	18761.15641	22455.75557	27221.94816	16998.20158	20069.76773	19145.21601	18276.26685	21503.81844	18937.368	17228.00919	21609.43304	20991.75308	21682.63325	18413.5071	20541.57232	25912.57516	20034.71421
10.94_633.4656n	616.4623005	10.94183333	pos													9700.72474	10452.51503	8250.067734	9557.516377	12282.60879	7601.656314	9534.393695	8105.184517	8418.749933	11165.89975	8458.718878	6210.174918	13684.47009	15341.60428	12822.83275	9761.544636	13680.05567	11722.20482	8614.079302
10.95_404.2052m/z	404.2051776	10.9545	neg													1160.296793	1077.596301	1237.873441	523.4146642	510.7793186	1496.838452	873.7372908	1575.39514	386.5068926	1061.763568	927.9472015	2843.128547	431.1593505	627.4540242	1489.488755	1921.875544	2002.960896	2237.053179	1975.468613
10.95_430.9951m/z	430.9950531	10.9545	neg													1331.364215	1503.180722	1735.568923	1044.212706	531.0397286	867.5179023	1082.592176	1736.663272	1551.993822	1551.952564	1489.726302	1532.78441	1196.746124	1376.311096	1317.663404	343.1169302	1027.114256	1148.057562	817.1116119
10.95_502.0258n	547.0185574	10.9545	neg													20196.19781	19314.17551	20936.64222	21111.54662	20795.63031	20185.72457	21016.66255	19304.26746	19171.28315	19567.73068	21523.11914	21373.60008	21945.16964	20057.62605	20435.49558	20738.3657	21630.03558	21473.90695	18568.17645
10.95_522.2836m/z	522.2836335	10.9545	neg													53240.88175	50697.47355	51852.07516	60651.89167	50088.87023	63819.6061	61813.78615	34828.31806	39700.0806	44173.72915	59591.21865	57676.13108	71523.37311	66065.6554	65070.72681	68765.68032	63519.80771	63774.03094	77332.03756
10.95_557.0170m/z	557.0170009	10.9545	neg													29101.12037	25994.69309	29512.66126	26788.59307	28490.92004	26531.12837	29726.4282	31621.01408	27857.39571	28791.53127	30680.55158	28104.06323	31142.91959	30205.66196	29687.25733	28549.76205	32579.22274	30474.22076	28124.82651
10.95_571.0178m/z	571.0178168	10.9545	neg													47769.97691	44161.22589	48609.1037	46743.62538	43384.02954	43850.52643	47644.94381	47856.11801	44218.84216	46042.91932	50046.71447	43033.33616	45956.40871	44684.98756	44960.3402	46358.87405	48773.34796	45604.94256	43284.44365
10.95_583.0166m/z	583.0165819	10.9545	neg													18193.91877	15418.22561	18482.63723	17381.12348	16938.14919	16765.09893	18109.61593	14142.46605	15233.53676	17150.09471	18095.04282	17727.00174	17931.39679	17327.39006	16665.56655	17461.57892	18291.04438	17905.2787	17219.67933
10.95_586.9931m/z	586.9931422	10.9545	neg													2247.23664	2335.54773	2073.546138	1649.201328	1642.756107	2017.243856	2360.345255	2347.07282	1472.460242	2179.012942	1562.128492	1520.015531	1289.058576	1600.086066	2045.160455	1310.150213	2307.611108	2215.589179	1955.253648
10.95_607.0151m/z	607.015069	10.9545	neg													33954.26063	29183.25247	32920.4658	31432.14183	31131.19848	29368.51039	29455.84112	33694.74277	32135.40103	30045.5392	31804.18872	31007.52432	33085.86409	29191.86517	31039.79247	32220.35521	32945.23554	32266.93163	29022.67398
10.95_800.5763m/z	800.5763123	10.9545	neg													3770.401306	3355.32297	5259.913466	3279.632277	3140.455047	7832.028953	2897.506817	3902.194183	1478.400545	2758.335541	3525.855189	8261.975019	2879.990097	2803.925448	4781.045065	4505.621905	5656.708191	8191.248249	6336.434072
10.95_847.0375m/z	847.0375158	10.9545	neg													5639.67256	6209.512725	5600.256949	5307.833046	4605.603709	4343.583343	6266.532101	4519.48895	5061.108245	6190.287035	6929.254739	6702.666618	5739.702565	5124.374492	5590.758976	5013.225676	7168.67902	5752.127665	4894.15843
10.96_334.2711n	357.2604016	10.9628	pos													24149.8646	27568.54482	23265.44132	23647.58447	36208.77778	21038.093	20941.2256	21846.10742	23717.5226	25683.68733	23282.33624	29525.07003	26172.57486	23779.24008	28859.66115	24862.44799	24277.40493	29139.7089	21878.98314
10.96_378.2975n	401.2865317	10.9628	pos													26135.51594	30792.68594	24848.17435	26144.0075	37856.7077	21437.80813	22305.98208	26472.72431	25480.05403	28225.16762	25395.87834	28874.45685	33571.7952	30769.12574	41094.27075	32163.93666	31877.53018	37921.3088	27280.76397
10.96_422.3237n	440.3575526	10.9628	pos													28482.9325	28585.82861	27782.99753	28235.67155	37751.73533	24115.02605	25323.97174	27697.83725	25463.88296	28443.80427	27134.13732	27548.38891	28927.32134	27355.5192	32331.8573	26260.11361	30093.92143	33408.80582	25653.49248
10.96_466.3499n	484.3837621	10.9628	pos													21937.15705	21467.03736	19234.931	21624.58292	30808.95114	16473.8062	19669.82177	18954.12245	19969.17859	23287.92459	21054.9215	19904.55006	18578.12189	18169.27253	25163.10231	20001.40039	19935.75326	26824.60112	19133.40351
10.98_320.9977m/z	320.9976748	10.9761	neg													2405.747286	2726.355774	2424.567904	2196.935937	2244.816786	2411.879829	2469.205879	2342.964486	2746.447982	2298.461987	2862.956604	2432.579001	2629.682643	2421.788512	2406.326692	2581.121931	2442.694203	2500.284437	2164.558009
10.98_336.9929m/z	336.992867	10.9761	neg													1168.613051	908.4795834	1159.875565	1021.367392	1125.299714	928.6537743	782.310029	1098.467738	765.5515832	884.4284775	1107.953264	945.5599123	1035.693672	787.5110004	930.6090325	974.3171886	968.8184754	926.9200938	982.6781987
10.98_499.0014m/z	499.001409	10.9761	neg													5302.052301	5790.595823	5827.477549	5503.682341	5357.509491	5137.94132	5815.394092	5563.566807	6060.514518	6039.432937	6036.601168	5978.588297	6128.824841	5811.637527	5911.701554	5884.922766	5507.404659	6174.294192	5512.856462
10.98_531.0264m/z	531.0263691	10.9761	neg													6725.491376	4747.288586	6591.880744	6213.662085	5895.023776	4136.191155	5430.62592	5114.780799	6443.973766	5654.767688	7177.804025	4585.254904	4767.785145	6118.999408	5676.972376	5692.267367	5763.831012	6093.770052	5852.333126
10.98_550.3766m/z	550.3765772	10.98355	pos													1706.864545	2504.057449	1675.615501	2241.29866	2480.733868	0.000297236	3137.429706	1807.154313	2877.102074	1014.499308	2082.967166	3527.666549	2892.977872	2232.469917	2998.194711	2081.214403	3117.862627	3004.179859	2877.784268
10.98_560.9981m/z	560.9981437	10.9761	neg													2520.825358	3130.497576	3780.532185	3372.649907	4427.003042	3542.449488	3996.856881	2814.568856	2818.440634	3642.017038	3382.410329	3254.097361	3294.023488	3693.774253	3350.04576	3412.34964	3061.440257	3434.235191	2788.505839
10.98_573.0003m/z	573.0002924	10.9761	neg													8356.738427	7742.47892	9055.88132	8619.211629	8665.52147	6993.684835	8557.32809	8084.310635	7662.979272	8390.961742	8721.654352	9437.487068	9332.259185	8646.896551	9627.143441	8248.928594	9209.263975	9588.399075	7517.84895
10.98_594.3528m/z	594.3527768	10.98355	pos													18451.70285	11320.32504	18273.97213	16475.90801	19954.82951	15105.13418	18256.14203	23419.48882	29208.28653	12840.10276	17201.29436	25564.9644	12862.09425	13293.60562	20666.18334	19981.47668	18622.86196	19975.14238	18692.40484
10.98_660.3497m/z	660.3497293	10.9761	neg													2018.729136	2609.623382	1665.072663	2450.183301	1334.929195	727.2538201	2276.936167	2643.972089	2459.616398	296.3400241	1776.816785	3737.279023	2580.21636	2185.843596	2042.796414	2028.935436	2709.147	1861.059962	2971.76793
10.98_909.5506m/z	909.5506359	10.9761	neg													6427.404077	5520.194252	6900.885594	7776.911786	5441.709284	4773.345699	5642.042277	4877.854825	2933.333873	4145.122168	4603.85482	6465.019587	5878.714406	8733.795031	8430.724072	8040.079872	7851.619492	8075.50853	7244.097287
10.98_918.1906m/z	918.1905917	10.9761	neg													3016.371891	2402.144306	1763.155975	3093.097472	2447.742701	3319.023045	4025.27524	3399.974979	3702.858287	2902.841501	3546.495821	1823.327357	3674.330803	4106.147694	3191.45724	2442.42613	3288.530053	3394.984706	2870.098121
10.98_940.5493m/z	940.5492549	10.9761	neg													5340.338692	4270.921551	3868.160722	7941.665521	4839.374557	5224.481213	6936.916914	3897.204606	4587.937128	3159.166631	3320.520139	5321.79463	5435.363126	4846.186408	3480.533401	5339.729813	5668.345954	1559.235787	5362.33483
11.00_224.8028m/z	224.8027738	10.99718333	neg													1326.022925	992.1874812	1248.74633	1233.238041	1190.064242	1041.996201	1088.230374	1028.714439	1004.076116	1044.471494	1302.139578	1518.347919	1517.095861	1496.373253	1471.912508	1587.77596	1385.435344	1393.704792	1214.370517
11.00_374.3027n	397.2918015	11.00345	pos													111203.6777	67398.00638	105339.3901	111780.8179	100888.0174	105999.7958	102000.2543	107324.4727	109632.2364	114099.1642	115149.0603	70014.60137	71826.28984	70083.52171	96680.03649	108993.9018	110934.8689	111140.7144	107380.919
11.00_502.9956m/z	502.9955893	10.99718333	neg													3676.701347	3311.825512	3387.416495	3348.960975	3337.878665	2883.908308	3936.866486	3220.268715	3006.717801	3455.152599	3876.552518	3315.927284	3704.850088	3130.001153	3289.115911	3253.810467	3661.791402	3682.568319	3248.990609
11.00_532.0331n	531.0070943	10.99718333	neg													75824.97964	65130.90246	75363.42211	73826.50743	73443.78083	69885.01022	74183.02096	78240.22605	72531.20209	71173.78368	76689.07695	68845.77277	77443.15613	71301.29569	73133.63303	74040.55528	72343.73303	75384.78493	70620.56938
11.00_545.0047m/z	545.0046879	10.99718333	neg													3756.689855	2645.62855	2820.816005	2230.802857	3616.398469	2727.489656	2815.581163	2862.662089	2806.331407	2814.538044	3089.034619	2594.176665	3225.860829	2619.790283	2458.729989	2578.875525	2496.046098	2919.128586	2726.884237
11.00_853.1820m/z	853.1820365	10.99718333	neg													1555.272738	1956.087612	1686.569427	1521.803659	1572.732416	1427.253782	1803.6309	1871.901705	1384.935344	2274.736164	1865.972968	927.2531847	2006.040315	1485.685879	1560.032437	1697.174256	1641.506758	1422.574574	1368.197924
11.02_127.0332m/z	127.0332352	11.02468333	pos													758.7950699	456.2892694	517.9314123	622.0114119	604.3363834	628.8686996	600.0783341	480.6534199	638.5131051	830.0858759	702.7820506	755.6821589	758.7853766	602.2490127	618.7426329	728.4199566	525.9927122	788.5460941	731.3628669
11.02_141.0544m/z	141.0543757	11.02468333	pos													554.723658	551.6359476	667.2350235	525.9018153	654.1095668	643.5946619	629.218751	687.2150123	670.9697638	639.1366401	710.3356107	660.2889065	719.6583122	613.0639271	669.4836562	626.9772193	642.8274913	539.4723572	702.8553093
11.02_325.9367m/z	325.9366963	11.02468333	pos													6563.557689	4637.345562	6720.445852	6252.322193	6368.854297	6722.960833	6350.346634	5786.432122	6047.639818	6801.190888	5061.120371	4386.531063	3716.555684	6229.635463	6396.706706	7236.001732	6864.756342	7607.076866	6907.18935
11.02_419.3014m/z	419.3013935	11.01853333	neg													31243.00507	28942.68202	29794.04004	30959.28424	31501.20387	31722.87673	31260.99501	30408.34117	31372.73415	32436.54641	33253.64916	29922.85376	31222.19981	29857.74606	31698.19161	33109.69962	31709.72661	31521.02736	30634.84568
11.02_427.3777m/z	427.3777397	11.02468333	pos													8334.797267	8062.079163	6623.587071	7933.604493	8074.730517	9760.663537	7249.604398	7839.58011	8025.704788	9142.244152	9147.856675	9566.827538	8601.323252	7986.623584	7789.71662	7368.603895	7013.582134	8717.950175	9316.645178
11.02_503.2798m/z	503.279841	11.01853333	neg													4817.969395	3851.672947	4323.172768	6095.116999	4802.348789	9496.518818	6334.070147	1906.021436	3092.648563	9627.357889	6245.671942	3027.876901	4827.450301	4695.881558	4124.492766	3196.200428	3946.955896	4264.522006	5775.949881
11.02_524.9989m/z	524.998914	11.01853333	neg													4416.006588	3831.855543	3446.248645	4739.199542	3640.987592	3977.901498	4243.789941	3681.046924	4041.907408	3308.120738	4716.026842	4206.976194	4249.396387	3781.674538	4694.452854	4342.0018	4662.526177	5280.062285	3502.940974
11.02_617.0128m/z	617.0127564	11.01853333	neg													13382.73621	12138.54895	14071.61754	13661.23929	12468.05811	12563.88087	14155.03174	13699.17401	12719.54661	13554.73529	14094.86315	14357.18902	13168.72696	12842.72477	12658.66493	13936.58708	16556.87985	14772.12156	13960.3847
11.02_815.0325m/z	815.0325069	11.01853333	neg													8902.28476	9913.97549	9027.903689	8827.013014	9822.753	9878.468502	9612.051642	8149.393174	8637.789054	8033.838548	11259.78834	10376.13152	10581.51125	10378.16537	11782.24006	10292.64801	10405.52742	9031.272528	8169.924612
11.02_900.4978m/z	900.4977508	11.01853333	neg													4214.732675	4796.219287	6498.657377	7250.627485	8447.093407	5333.912334	6958.401687	5761.468622	8287.110338	7613.86151	10095.67689	7162.514397	4157.780601	4411.827586	7517.629202	4154.965166	9176.57822	6949.420976	8136.672212
11.02_904.4752m/z	904.4751582	11.02468333	pos													11136.16252	12310.88968	8080.945912	9575.781289	7369.779303	8476.815838	5972.175094	10438.51197	8303.826695	9691.305768	8919.921917	16232.54633	389.2331646	149.099311	885.7844436	3128.990792	1883.722533	4764.163724	7566.002386
11.02_962.5345m/z	962.5344581	11.01853333	neg													207384.4539	263912.4451	235131.6951	200782.3411	205649.6278	192364.4668	211744.3555	199024.7651	210426.8101	208645.0202	211757.7217	208525.8276	207788.1592	33081.06576	239922.4564	244080.0853	228777.7312	214142.5309	182205.8639
11.04_1030.5218m/z	1030.521777	11.04015	neg													4244.473795	4548.604157	3278.086545	5447.815053	6063.030609	5879.470285	5272.630872	4519.571868	5755.142146	6103.074387	5055.039653	5161.901956	6382.229227	0.000297236	7463.108186	7479.177839	6253.588632	4809.051286	5158.416983
11.04_416.3382m/z	416.3381596	11.04015	neg													5206.734327	5539.625856	5122.464874	5507.443036	5151.074082	4900.34489	6055.224898	5401.051362	5298.596394	5618.080965	5882.953986	5053.44426	5590.152732	5426.554355	5471.217883	5934.153224	5331.801158	5653.514903	5546.874813
11.04_452.9986m/z	452.9985556	11.04015	neg													1222.291068	1254.359518	1074.491193	1706.761852	1612.11552	1160.40713	1357.24828	922.6425453	1313.121738	1385.313638	1492.835703	1081.243541	1389.669559	1135.538029	1106.383276	1253.050772	1408.045911	1683.304938	932.3805154
11.04_495.0082m/z	495.0082368	11.04015	neg													6912.80049	5907.670537	6621.460053	7057.090481	6661.12276	6296.304812	6624.853588	7216.367641	5801.035159	7224.81022	7383.487158	7142.112314	7330.725955	6169.419477	6768.2341	7199.689296	8658.736362	6989.197378	7639.879787
11.04_570.2838m/z	570.2837645	11.04015	neg													1040.180507	825.8032233	971.2124863	1257.883127	737.6049055	724.0324378	1308.065908	1245.202789	2330.519949	712.8318358	1822.226233	2601.124444	1897.615445	1528.506491	1615.190553	2030.562542	1361.362052	1556.372475	1724.16629
11.04_589.0287m/z	589.028667	11.04015	neg													2860.078542	3080.80431	3308.512849	2190.881294	3166.964033	2238.471472	3242.154776	1764.882224	2725.105763	2459.756685	2336.062676	2195.628355	3493.279941	3098.30138	2443.018496	2531.94757	2203.306184	2436.461908	3147.220287
11.04_938.5341m/z	938.5341054	11.04015	neg													8748.600531	5713.6885	6187.223761	6008.010559	4092.962514	8255.913947	5760.457884	6907.35365	5202.315769	6436.060402	5280.050081	2822.066632	6630.966527	8431.523873	335.7727758	8244.992515	9713.222909	5780.737561	6200.161189
11.04_951.5274m/z	951.5274304	11.04015	neg													5471.601187	4400.933189	4121.294263	4621.108459	4748.445585	5050.672554	7752.361935	5882.159881	5991.741544	5190.177976	5220.058737	584.7406788	7418.202155	9985.100461	6384.090901	7408.31819	7968.849968	6095.215425	6290.719997
11.05_183.0096m/z	183.0096149	11.04536667	pos													7338.293825	8259.224955	8049.215546	8164.030213	7422.129235	7054.351977	7829.975552	7706.553218	6969.323361	7419.507612	7439.674403	8979.224009	7828.781446	7691.954915	8658.418516	8676.545771	7484.739546	8052.453377	7391.979718
11.05_371.3393n	394.328293	11.04536667	pos													44393.71283	30906.57127	41276.34253	44916.56105	39840.38502	41833.71088	43400.97811	43849.33814	43461.32143	44565.61589	42942.43917	34776.41839	32196.9637	41540.40418	44238.86647	48175.27118	39934.86484	46659.56443	42105.64827
11.05_480.4042m/z	480.4041659	11.04536667	pos													35370.30187	34463.47567	34837.30645	29207.79102	26980.3444	35278.01603	35443.55193	58181.5699	45976.02769	36075.48219	28667.75263	49742.52056	30124.99444	28563.60418	33532.51226	31567.76866	37851.11068	37657.7325	29949.97837
11.06_541.0106m/z	541.0106296	11.06195	neg													10276.01778	8801.502419	10357.87708	9284.276307	8938.496266	8732.891712	10149.71993	11015.58303	8640.692908	8902.748054	8862.445939	9432.161981	9290.875732	9067.410558	9591.140092	9135.93579	10706.87298	10174.8151	9006.040744
11.06_567.0079m/z	567.0079364	11.06195	neg													20631.28222	21723.09047	21642.32019	22146.24922	22858.58467	21051.1184	23673.39015	22171.34165	19478.36186	23816.42906	22785.9854	22618.7199	21417.019	22442.92382	21737.7545	22685.60688	25237.53137	23354.80794	21000.53829
11.06_600.3887m/z	600.388697	11.06195	neg													13107.80694	11479.74647	12497.31133	19190.59879	12919.16077	15844.16862	20669.44261	2804.530285	3697.155379	12553.44574	19353.28458	4402.776137	16751.1802	17433.39788	14315.23556	15370.80271	16791.74108	12852.66052	16846.49898
11.06_737.0025m/z	737.0025498	11.06195	neg													32601.87678	26584.22481	29112.65482	26867.86153	29175.92984	27000.96058	34510.6027	25885.90908	25737.05752	29671.35892	30719.42469	27290.34878	31844.05115	27271.71864	32471.44562	32419.14294	33036.2712	30422.87037	25829.62128
11.07_140.9954m/z	140.9953849	11.06651667	pos													5576.228584	6661.517547	5811.364445	6405.283447	5833.922085	6006.494473	5276.994223	5546.788247	5690.457142	5679.644776	5987.584291	7248.046849	6201.597258	5382.111713	6218.92229	6846.686436	4947.696753	6135.076242	5686.529102
11.07_259.1646m/z	259.1645646	11.06651667	pos													8122.125047	8002.370864	8093.548166	9387.260123	7350.300057	8709.699102	8492.110258	8827.835613	8586.846538	8719.770478	8135.167094	7913.816206	7279.736777	8569.858944	9071.83675	8270.528536	8580.211684	8562.873921	8111.8533
11.07_452.3938m/z	452.3937652	11.06651667	pos													5623.93828	6375.390152	4552.501808	5694.464586	4687.817003	4810.741804	5352.260116	5118.51713	5571.402058	5332.214393	4953.640663	5553.590795	4402.548142	5117.365467	6245.001421	6347.115094	4009.146323	5639.918514	5001.783697
11.07_555.3890n	556.3962961	11.06651667	pos													52212.73791	53139.14193	55881.25668	82078.51755	49747.07319	65068.4756	73812.95329	13467.90117	15337.35037	49055.89817	77932.7198	16443.14961	59341.38922	76217.51964	60535.78399	59254.26738	70380.04097	54617.19219	71420.45591
11.08_530.2866m/z	530.2865649	11.08343333	neg													6255.082345	5632.626281	5874.960098	5284.220668	8084.254996	7002.394998	6674.184806	11641.01421	10450.25539	6601.499649	4740.459953	10218.81378	7173.230123	6922.977154	7450.104573	7255.703051	7982.05263	5757.443987	5904.357923
11.08_597.4225m/z	597.4225031	11.08343333	neg													1274.224126	835.2111245	1433.353998	1763.484003	2179.742206	2223.864774	810.7433939	3679.659647	3442.136778	1852.759535	1382.653634	2427.87647	1095.063859	1324.12163	914.9831317	1681.702741	1237.771643	1827.773157	1205.804525
11.08_769.0099m/z	769.009882	11.08343333	neg													46532.92333	42108.20954	48550.29882	42925.01573	43168.77084	42095.27275	49321.7902	49097.22573	46699.81661	43117.15321	46259.5492	43048.71111	45508.58758	47920.62752	47885.29631	52431.13219	47600.88415	50348.70903	47418.86154
11.09_157.9936m/z	157.9936016	11.08671667	pos													2505.787696	2727.455015	2728.144679	2681.140323	2660.372702	2758.40079	2665.096912	2716.856126	2627.768665	2795.130485	2553.888382	2714.73012	2970.949988	2505.340659	2773.4454	3229.040498	2628.30423	2896.979475	2610.933187
11.09_463.3055n	464.3128259	11.08671667	pos													187746.1335	195837.3203	205934.5661	170516.3547	221929.7342	221096.2883	186605.5165	328372.7529	294294.0717	167159.414	166608.4541	259484.2389	183731.6951	194301.6906	200985.9719	195454.9741	206280.0936	186247.6216	173388.6219
11.10_1102.7166n	1101.709322	11.1045	neg													6155.093184	8721.602385	6537.100893	3664.226504	5297.447932	1956.36449	4583.697301	2904.729943	3343.218916	0.000297236	4065.663869	7544.630761	7092.270714	3457.567733	3132.872421	5236.079921	5778.801711	4497.748211	4474.523676
11.10_1131.6814m/z	1131.681447	11.1045	neg													30790.65191	27577.48368	27851.89276	34089.44625	35815.67934	33487.64308	37411.83907	43181.65312	30808.41558	36673.05251	41301.78755	37976.78839	49749.64507	35050.28258	21373.38229	32299.18064	33357.19583	43751.9506	34149.10801
11.10_492.9913m/z	492.9912695	11.1045	neg													6050.182063	5593.33411	5366.034381	6804.182182	6278.640725	5723.792403	5974.795807	5680.677727	6517.995918	5742.246007	5604.705515	6688.045826	6487.367288	6194.900279	6875.840385	6225.423311	8741.886125	6956.13961	6283.181838
11.10_544.3178m/z	544.3178231	11.1045	neg													43326.29258	40789.45641	43880.71614	50064.67619	45493.82472	46520.7378	52696.65495	51864.96065	44334.26085	47743.59704	53739.07928	51532.82159	57422.95663	46289.47974	37903.58382	45717.15608	42541.54999	54835.14611	47166.93057
11.10_557.3544m/z	557.3543761	11.1045	neg													19009.56515	18503.23338	19147.43491	20767.5405	19743.3499	18221.48047	22473.87493	22453.81308	19814.9796	19958.35834	23435.51072	19651.33891	22645.22417	19505.48532	15144.82781	17512.39402	18023.82748	24807.73797	21292.54503
11.10_571.3363m/z	571.3363069	11.1045	neg													27064.42547	21974.92159	24331.02693	27710.12456	26010.69756	25005.94903	29481.2221	30247.79098	26244.95776	27217.62467	28997.29698	30980.23217	32522.54185	26818.67498	20668.33508	25744.75925	26273.1887	32121.38297	26194.62649
11.10_598.3729m/z	598.3729046	11.1045	neg													13059.18026	14072.30399	15101.47551	15360.81214	15336.29381	14519.43147	16390.9357	15595.29834	14112.71619	14670.67748	15429.73668	15838.00009	17642.79904	15154.7879	11238.64411	14530.10785	13435.24346	16797.79786	15236.05514
11.10_612.3044m/z	612.3044248	11.1045	neg													9836.904176	9637.772319	9095.426469	10905.88983	9426.83247	10779.097	10996.08658	11672.82644	11008.55325	11423.3187	12596.87354	11874.05767	13086.53857	12260.95537	8371.535035	11386.77055	10907.11833	11937.25811	10032.68646
11.10_626.2764m/z	626.2764182	11.1045	neg													41774.64396	40458.17781	39704.73297	47840.70313	48903.94899	43621.13594	51403.83057	54636.40285	46343.88456	48430.13739	52281.38777	47186.72321	53176.75593	45688.03533	36862.68995	44254.66165	44759.1496	52396.98401	48225.00728
11.10_639.3242m/z	639.3242246	11.1045	neg													4531.532217	4062.788945	3928.169749	4689.905805	4932.441207	6058.432099	5723.396149	6259.810074	5506.417772	6505.192693	6127.13877	6745.784605	6410.234015	5724.513282	4501.945759	6163.164608	5601.100692	5411.706493	6463.148651
11.10_654.2713m/z	654.2712847	11.1045	neg													4686.035061	6247.073415	5181.007485	5885.741512	7066.284555	5769.897914	7034.545147	7760.261989	6558.866909	7200.733243	7876.517159	6847.133473	7763.304191	6688.774484	5178.349372	6603.568223	5994.465157	7256.077129	6580.407508
11.10_680.2919m/z	680.2918619	11.1045	neg													2907.243604	2640.870217	3748.839203	5922.749977	3714.633753	4831.513979	5064.144384	4314.269009	4740.321583	4752.58523	3953.592965	5097.954027	6036.713875	2951.572064	3582.119775	5119.277182	5231.688936	5669.136954	4849.664266
11.10_690.3211m/z	690.3211391	11.1045	neg													90923.10177	80020.06642	83499.32172	102424.4847	92728.15517	94456.8404	104886.9934	106127.2249	94620.87255	100667.2853	106102.4688	101019.2767	110637.6067	104390.0055	83274.70114	96810.56786	95740.99953	113074.3819	100077.1894
11.10_694.2637m/z	694.2637005	11.1045	neg													11263.33114	9066.644335	10056.50002	10938.04736	11652.48277	11852.49762	11681.20293	10998.98583	9496.879546	12669.53981	12290.01955	10454.49124	11970.59076	11696.59807	8811.398516	10276.24423	9097.32032	12706.36618	11234.69673
11.10_702.2769m/z	702.2769282	11.1045	neg													14417.43297	12347.82595	15058.27867	18084.95287	15453.28409	15838.21656	17153.12651	19183.97027	15566.0418	16977.02915	17626.96694	16779.21691	19853.98033	16598.78834	12373.87647	15390.59666	16048.44837	18477.64853	17811.24859
11.10_758.3083m/z	758.3082846	11.1045	neg													35410.97694	34478.42154	32793.5814	39227.12178	38765.41799	39213.29856	43181.59715	41719.17963	37476.37143	40908.97395	44426.20088	42739.23625	46268.54315	41600.11445	32464.89942	39548.98245	37662.77177	44254.11425	39880.10713
11.10_762.2512m/z	762.25115	11.1045	neg													4497.958182	3107.819482	3450.800598	5752.536881	4847.306354	4650.050528	5875.268572	4596.920756	4002.532277	3704.467002	4398.832944	4833.361097	5490.910097	5280.837195	3001.875982	3398.370897	3770.722354	4241.390069	5375.370341
11.10_770.2648m/z	770.2647561	11.1045	neg													2359.549728	2536.033801	2881.716422	3095.586668	4424.342261	2502.055416	3339.658556	3186.661042	2875.924832	3224.973173	3246.583121	2763.741463	3499.590631	4334.993832	2645.257316	3908.7789	2586.726086	3382.646702	3081.092306
11.10_826.2962m/z	826.2962101	11.1045	neg													18567.05362	14954.4396	16308.10545	19253.19287	19380.41546	19485.90524	20730.36376	20693.53221	18112.23069	19836.4885	20566.98859	20772.92706	21712.61763	20448.63444	15119.34398	19391.45155	19964.57301	22245.5776	19772.92967
11.10_894.2839m/z	894.283873	11.1045	neg													8005.800218	6835.209533	8268.616382	10806.50831	9259.486307	9805.2484	10915.96658	11450.16766	9170.034329	10305.2683	12294.5476	9895.696097	11136.34034	10762.22626	9689.965569	11267.62562	9131.142457	11887.53015	10430.97179
11.10_962.2704m/z	962.2703534	11.1045	neg													2789.413126	4063.248462	3551.03064	3759.450048	5446.685081	5449.818031	4985.731981	3863.434509	4429.390766	4812.987825	7489.38885	5827.83032	6043.177881	4196.28337	5103.280272	3772.680061	5391.238579	5214.433371	4731.3508
11.11_120.0255m/z	120.0254939	11.10751667	pos													11035.68353	16451.68872	11637.52947	12217.75939	11400.18358	12030.92971	11294.37744	12118.78416	11168.6625	11603.14834	11265.98564	17200.56673	15873.49464	13725.24484	13642.91846	13502.33279	11947.43904	12374.7717	11587.53522
11.11_303.1535m/z	303.1534671	11.10751667	pos													15962.92717	12463.11679	18914.9178	21384.33189	17799.26434	17657.99336	21080.60104	20904.558	16248.11781	15409.82869	18982.40571	15866.22709	18323.80595	18062.82023	13613.27745	18359.24723	17327.74076	21503.38358	19482.37209
11.11_303.6551m/z	303.6550692	11.10751667	pos													4722.1184	4412.51448	5462.253766	6028.068451	4840.908449	5739.861866	5282.667306	4993.603599	4554.070093	4474.215109	5762.495676	4772.260305	4853.114389	6328.716149	4014.244893	5323.710172	5124.764585	7685.384837	4666.527657
11.11_304.6552m/z	304.655198	11.10751667	pos													17686.09663	15629.71263	19726.42819	22369.1013	19507.97462	18304.31898	20213.7407	20689.79657	18380.9608	18330.62817	22690.30174	16418.10556	18970.98306	18013.73132	14071.15767	16942.97635	17626.91757	22073.11523	18361.45464
11.11_313.6607m/z	313.6606799	11.10751667	pos													5719.942035	5208.014622	6715.302145	8535.046202	5106.672843	5214.267226	7124.005798	7721.095533	6102.960227	5798.891793	6774.956451	6929.659959	7525.704105	7382.654346	4671.751615	5611.055288	5951.004731	6626.216895	6608.723938
11.11_323.6670m/z	323.6670212	11.10751667	pos													2052.011343	1730.623204	2911.510361	2998.207766	1847.835208	2296.210318	2443.950491	3513.481198	1960.217832	2676.64649	2590.569063	2671.195888	2828.660987	2592.55367	2394.358298	2627.389238	3199.416039	2946.811216	3391.310774
11.11_324.6670m/z	324.6669624	11.10751667	pos													59205.2335	59272.84471	66374.75829	70072.03621	58742.20191	56056.81516	68482.26861	65013.7187	60295.90761	58074.64109	66521.52169	62589.15217	62903.98442	64436.09901	50619.32422	57917.06679	57064.82278	72077.81113	63865.4978
11.11_513.3632m/z	513.3632109	11.10751667	pos													44720.24191	45844.51742	44919.23602	49864.37781	41879.79965	39990.92255	51662.03457	52814.40671	41893.66899	41568.13226	47854.77265	44223.96637	48449.76576	44559.61601	35287.79114	38019.93609	41162.06746	51758.37354	45253.06098
11.11_536.8141m/z	536.8141409	11.10751667	pos													3940.311519	3873.756865	4010.594727	5747.706386	4121.34199	3952.076317	4980.253304	7104.279901	3928.65437	3791.489222	5622.357494	3392.216461	4165.679128	4165.174996	2083.565534	2059.186593	3211.962338	5723.561413	4522.794519
11.11_537.3145m/z	537.3144998	11.10751667	pos													6988.543088	5864.187689	8833.442691	10031.84893	8269.712913	6311.504657	9314.406857	7066.308577	4821.047074	8238.475193	8534.589584	5043.056246	7740.847208	8735.29068	4961.647867	7224.45717	6832.758528	12205.64079	9063.280984
11.11_538.8161m/z	538.8160799	11.10751667	pos													34143.02638	27147.99249	36859.4242	44010.42105	32259.89931	28922.46121	41447.43045	40454.00164	31198.24208	32489.33273	39402.58084	25658.36581	32677.60009	27047.23405	17243.69351	26412.21879	26316.54348	41685.4383	34517.24948
11.11_600.3236m/z	600.3235717	11.10751667	pos													54373.42192	36737.3696	56415.45166	61008.40272	57466.00871	48334.24975	62468.01305	61814.23691	53642.67543	51530.41997	59495.88896	35545.30904	43174.87815	43502.88494	37728.80029	46804.88578	47996.28402	57719.2744	54428.53397
11.11_612.2799m/z	612.2798689	11.10751667	pos													16901.6968	15407.75798	18790.79443	20783.95749	16451.16273	15560.73587	19835.40851	20928.7677	15991.82748	13388.27627	17788.65781	13986.46555	16661.09689	16339.02571	14301.83259	15579.4924	16051.66001	22171.25692	17420.07216
11.11_651.9265n	634.9232208	11.10751667	pos													13417.55219	10740.30614	10189.64449	15207.16168	14934.64522	10242.20444	9969.822189	10610.6291	11019.33263	7354.719755	14671.81183	14636.33671	5489.07535	8289.527588	1153.86681	5534.476232	5900.222002	7777.910462	10202.03952
11.11_668.4426m/z	668.4425901	11.10751667	pos													11343.63805	10131.35928	7551.436386	8764.67602	10839.50684	8672.55043	8908.303638	8814.528173	10923.91722	10830.81777	10570.13115	5440.450637	2346.17818	1194.604359	1137.580312	5774.781297	5381.107884	6852.246327	11670.58632
11.11_792.9875m/z	792.9875107	11.10751667	pos													13242.92614	9054.181028	14670.9221	15765.97259	15074.83058	9865.975178	20849.94316	21233.87883	10680.05693	11338.67796	18118.64358	8914.654161	11129.6214	11172.95014	4642.513561	5705.866078	11565.82392	19490.15393	12728.01082
11.11_923.6175m/z	923.6174963	11.10751667	pos													4400.554963	5283.912437	5572.868835	7760.473149	5932.265493	5840.987334	5517.628543	5118.197196	5817.4719	5050.963416	4183.346662	6694.996558	2614.29204	2893.068898	0.000297236	0.000297236	1511.208878	3283.632123	3980.468733
11.13_326.2868m/z	326.2867701	11.12778333	pos													2524.386871	4380.025462	4470.308988	1784.102414	5373.558918	1906.091616	5142.008572	0.000297236	647.9226485	3338.20905	1861.55952	1901.780258	7251.836361	11751.21504	10346.72716	8338.006757	8361.545819	3826.829221	2283.76208
11.13_410.2254m/z	410.225429	11.12778333	pos													10325.93327	9214.909053	9967.997162	10417.65335	9738.406883	11461.90505	11188.45142	10019.21077	9163.718403	11526.02627	9763.925656	8782.772952	7487.989966	9710.898152	11885.67996	10814.82125	11267.31429	11145.01815	10406.96786
11.13_645.3053m/z	645.3053185	11.12618333	neg													1219.195412	1507.837823	1009.635769	1624.172238	2934.456616	1828.774942	1367.120556	636.4172533	892.7601472	1482.943315	1053.922869	2598.100098	3232.720575	3712.540793	1643.00329	2239.391871	2535.181995	1562.170266	2431.957376
11.13_660.3502m/z	660.3501681	11.12618333	neg													8011.289126	8760.279783	8050.393921	6514.429109	3903.141997	4075.148984	7498.670082	7451.094752	8157.919293	3166.983237	7325.910031	9584.744048	7578.231355	7340.816637	9882.616617	9904.500282	8776.494415	6822.35255	8175.13505
11.13_668.9447m/z	668.9447257	11.12778333	pos													6425.035615	6541.764412	4306.566563	5615.386273	4555.116079	6923.234149	3675.362852	5026.454861	6002.602644	4368.665992	4126.720426	5705.192909	807.0889459	1012.597759	0.000297236	668.6808357	4620.260793	1029.115766	4966.380354
11.13_833.6103m/z	833.6103034	11.12618333	neg													14311.56454	11559.63762	13279.72393	11218.76094	12580.68815	12475.58926	12158.15445	10932.86647	10203.52926	13316.81105	13362.93516	13444.79627	12576.95178	12263.04281	14533.55217	11939.38418	15620.46827	12439.89788	12234.48192
11.15_188.9968m/z	188.996847	11.14685	neg													801.9672881	781.4726893	644.3178406	772.3996107	830.6778885	712.5881129	757.2533342	982.9152951	779.0453309	722.1219187	854.0909508	762.3088091	844.3129473	775.3975493	722.0961755	800.4309484	883.8372314	754.0390785	706.0230537
11.15_309.1738m/z	309.1737702	11.14685	neg													1146.677668	1422.829279	1357.501018	1296.644067	1278.794423	1277.488578	1208.573948	1531.721294	1106.135024	1289.590284	1339.505938	938.9247814	1412.676842	1251.100631	1290.563767	1213.093979	1224.889696	1280.66211	928.3274365
11.15_368.9992m/z	368.9991617	11.14685	neg													1445.664189	1340.042409	1395.782654	1274.552394	1484.099825	1463.210104	1326.576765	1136.123056	1470.47399	1525.467467	1657.543239	1319.108671	1032.037885	1101.683923	1387.112901	1449.875607	1886.733483	1402.306579	1115.407903
11.15_569.0047m/z	569.004733	11.14685	neg													4206.338564	3818.179258	5089.426548	3944.882015	4190.344903	4572.973809	4654.817259	6383.253565	4845.033401	5318.748267	4511.392364	4363.013962	4367.268764	4336.620481	4709.985841	3830.138505	5518.375624	4728.556815	3641.555536
11.15_603.0124m/z	603.0124351	11.14685	neg													7264.758192	5256.745276	5170.011873	5360.897054	5558.581045	5416.933741	6152.580166	7443.31789	6916.070399	5311.70562	6271.313749	6204.687681	5906.626665	6904.3477	5617.577144	5710.20693	7230.096376	5979.746376	5973.796284
11.15_620.3547m/z	620.354676	11.14685	neg													4214.937949	4490.336301	4197.502535	4133.321129	5257.943702	6158.628982	4545.826588	6184.38894	5482.112703	4662.246823	4015.344894	4288.977449	3623.270404	3260.749489	4875.021173	4081.475816	5429.795068	4370.793414	3019.294492
11.17_535.0039m/z	535.0038801	11.16756667	neg													7080.123708	6114.483102	6652.954653	6129.61638	6065.55766	6314.629466	5334.889062	8497.886029	6640.358544	6951.480284	7373.902206	7093.455141	6162.906689	6331.959885	6280.41085	6285.307831	7665.125758	6940.782462	5931.49767
11.17_901.2002m/z	901.2001856	11.16756667	neg													21739.69003	22726.67224	22449.02621	21165.35023	21921.79471	21064.43413	23305.17653	21708.68077	21026.52328	24089.09519	24420.63909	22546.04551	22104.28263	19059.60862	21921.73564	20404.26217	22745.60459	23925.52433	20141.31868
11.19_192.9277m/z	192.9277429	11.1889	neg													97930.73913	96862.46648	99988.76977	102689.2819	99193.14166	103948.4085	107198.7023	107546.7774	105501.0996	106448.4839	109037.5654	97032.56588	100079.6853	102721.9009	104913.8887	106863.5009	103048.62	108363.9917	95010.75083
11.19_194.9232m/z	194.9232007	11.1889	neg													12353.46034	12250.24596	12169.38678	13247.08827	12374.21332	12870.1824	13756.3492	14104.49779	13302.40263	13559.07464	13445.52322	11975.70879	12936.32573	12741.12163	12713.3812	13786.45234	12744.23774	13499.84749	12452.37695
11.19_369.2757m/z	369.2756765	11.1889	neg													648.5279113	617.6196919	467.0772423	926.2777087	429.5950198	519.4047613	542.6941015	643.0958671	683.0875482	421.8507221	622.0847505	1086.341592	544.5661688	478.2755231	493.3852967	669.0362149	464.0319578	1007.441281	624.5425113
11.19_505.2775m/z	505.2775487	11.1889	neg													1853.09732	1782.712058	1523.743401	1578.89639	2075.985363	2595.355381	1863.690358	508.400429	1073.798473	2220.292392	1778.485287	1849.731448	2340.848904	2157.248011	2093.26042	2128.872	1668.326273	2101.436267	2127.256314
11.19_573.0924m/z	573.092439	11.1889	neg													2769.097288	1558.628565	2670.707232	1827.269013	2724.170265	1987.723896	2487.769855	1898.468503	1958.582373	2498.633298	2455.885156	2742.124458	2470.592002	2650.796906	2417.700443	2142.875711	3045.682759	2770.717332	2117.27352
11.21_294.9822m/z	294.9822023	11.21011667	neg													4734.708156	5276.781732	4894.003468	5029.214338	5478.630446	4682.591327	4994.236866	5566.434923	5513.206953	5409.237751	5298.521776	5135.016073	5070.985183	4957.254195	5203.506352	5008.305128	4845.749185	5059.255231	4691.434602
11.21_307.6081m/z	307.6081492	11.21088333	pos													680.8987565	494.8355882	663.2074203	948.4374089	1204.622128	985.181922	626.1175401	648.213919	312.8287662	691.7069122	485.2623591	270.0305367	189.2917858	0.000297236	445.5862373	924.8722521	1182.867436	1521.203513	877.467506
11.21_396.8908m/z	396.8907645	11.21011667	neg													182040.8356	177128.0448	183526.8416	193884.9282	189589.2322	194349.5705	209622.8461	207297.3625	203292.9311	202615.6366	210835.9568	190127.7324	212138.3819	207548.1862	206402.5503	208327.4103	195114.0926	206788.8898	185087.9379
11.21_401.3451m/z	401.3450754	11.21088333	pos													11157.83242	15424.9406	14134.29513	14719.28598	11312.61098	12666.9339	11851.2779	10599.3495	12537.74495	12031.46324	10714.62234	16226.68288	14148.74	15687.42689	13892.0078	18686.96527	16964.73666	14008.49359	15227.46374
11.21_433.0121m/z	433.0121138	11.21011667	neg													4714.842244	5659.882129	5362.050771	5750.090091	6186.179691	4440.412654	4210.533077	5664.85018	5320.050243	5650.573697	6152.019714	5450.810669	5252.771916	4599.532992	5631.391077	5470.153376	5760.906721	4795.920653	5321.05032
11.21_464.8782m/z	464.8782464	11.21011667	neg													19610.4193	19614.16822	20492.93487	22107.51856	22462.15222	21608.11364	25960.69197	24726.38115	23867.67987	23990.64829	24176.49291	21784.59392	24673.90212	26172.21472	24510.37	23464.49738	22778.38871	23092.62048	21263.60614
11.21_509.2868m/z	509.2867834	11.21088333	pos													8196.671401	9073.727521	8889.470964	7552.130265	10282.17765	9529.193615	6440.093038	15667.44285	9825.812289	6470.615732	7289.119992	13474.28365	6747.24615	4659.095262	9653.764426	10532.89206	6952.371241	11145.80307	6594.124682
11.21_631.0193m/z	631.0193267	11.21011667	neg													7674.88851	8314.929079	9147.585709	7326.609889	8608.433893	6951.524993	8098.334624	7410.424426	6696.412386	8457.348293	8524.050555	8018.477742	8571.012907	7921.84151	6610.768104	8228.433843	6654.553957	7585.925128	6342.743352
11.21_642.3612m/z	642.3612249	11.21011667	neg													9307.327804	10030.98967	10975.73923	12647.26077	10849.17497	5641.330962	9801.700271	5700.807135	9540.288466	5454.308674	10487.62245	18992.59266	12640.83041	15122.63546	9099.330724	11494.51946	9157.551366	10237.49659	7748.541108
11.21_643.0206m/z	643.0205584	11.21011667	neg													3796.977313	3581.978099	4488.566122	3496.905398	3072.200028	5295.31776	3894.758549	4185.704199	4955.920476	5279.461208	4723.384586	4820.375941	5109.627257	4834.098434	4895.993521	4758.605167	5873.865379	4638.153223	3730.626565
11.21_965.2122m/z	965.2122383	11.21011667	neg													33506.72245	28723.87212	26399.32598	26904.24144	30633.69392	28299.14411	30993.27054	31628.99361	35767.60208	34504.17184	32417.41189	30099.17238	26127.85987	23458.40295	26834.93694	28121.5139	31525.40644	29179.42564	27721.1029
11.23_165.0395m/z	165.0395336	11.23078333	neg													1159.532358	1048.908687	1281.275203	1468.345433	1011.801666	904.2098758	1014.012395	1123.073624	1095.535584	985.1903263	1117.42323	1057.65902	1084.778072	1083.432968	1057.510412	1312.07577	982.7006792	1121.190164	945.091342
11.23_229.5824m/z	229.5823802	11.23123333	pos													3284.638149	3185.314758	4318.265283	4317.805558	4334.174885	3266.7991	4336.231649	3970.028451	4474.946998	4619.350261	4001.747287	4138.859114	3106.629272	4272.407275	3980.807081	4057.983987	4266.642728	3988.544194	4207.30255
11.23_230.0841m/z	230.0841246	11.23123333	pos													695.4059913	560.9077503	672.9741364	717.1218614	875.7988122	690.064742	725.2591782	522.2840855	955.0722878	453.8872821	684.7089417	472.8590186	473.6209428	687.7386171	838.6034458	769.2908402	690.6967134	956.7183882	717.1559559
11.23_314.2158m/z	314.215816	11.23078333	neg													6944.640231	5052.847701	6053.859534	10936.56204	7636.386581	8998.258323	7655.0095	3078.416011	4419.536929	5473.840099	8345.17718	5086.36668	9218.569902	11737.95434	7918.387408	9740.394968	7482.743504	9071.785239	9080.106732
11.23_316.2299m/z	316.2298512	11.23123333	pos													88201.95754	99281.75922	99016.10717	150003.3641	100952.7385	111323.1298	98508.61658	46187.29535	60608.85646	79940.45138	112859.4685	66353.28992	117387.5455	141752.9086	103200.3223	115573.4441	103415.4832	114845.5113	127441.4345
11.23_360.2142n	383.2033385	11.23123333	pos													14779.99575	9874.688164	14503.05041	30352.02146	18168.78814	15201.48116	17469.47435	16938.33584	17747.90345	17005.87597	14941.73891	12663.72232	13390.85661	12175.39807	17809.56718	21348.86387	23754.48296	21955.34746	16141.65844
11.23_388.1038n	411.0929817	11.23123333	pos													57089.81425	38380.94711	60047.08435	52462.72339	43126.90916	46713.85904	47186.9056	58128.14166	45971.79517	48483.84376	53907.17301	41362.62629	42338.50873	40857.72745	50620.40143	49271.92064	46978.31085	50719.06925	52125.4094
11.23_427.3778m/z	427.3777909	11.23123333	pos													4468.71525	2568.660922	4403.904381	6075.209467	3710.448858	3822.849125	3391.067787	6783.11001	2929.935304	5097.070351	5724.523129	4920.997432	3769.119743	2055.457097	5993.813295	3632.692608	2617.058944	4022.392618	4112.666843
11.23_433.1024m/z	433.1024412	11.23078333	neg													1440.242207	1574.399851	1451.798917	1300.832202	971.3051518	1103.180488	1266.596904	1585.356751	1044.983242	1233.259621	1679.728179	1205.960273	807.9499925	920.9444948	1476.19148	1257.178672	913.5935749	1278.454662	1140.476609
11.23_544.2671m/z	544.267127	11.23078333	neg													3890.668652	2794.001007	3023.401786	4431.932235	3884.843846	5090.952976	5249.707003	3967.471705	3322.833305	3993.645285	5109.396235	4563.701481	4139.947423	4412.534849	5210.263476	5972.545619	4905.084767	5946.346309	4572.981827
11.23_575.2601m/z	575.2600886	11.23078333	neg													3167.754017	2711.436167	2322.181977	2926.142627	4022.268002	3903.311451	2869.671166	7325.482634	4217.255623	2050.82052	2197.00916	5150.869291	2904.809326	2056.58264	3531.797654	4087.539951	3857.799174	4371.229905	2875.3716
11.23_633.0354m/z	633.0354458	11.23078333	neg													6442.01287	6725.798317	6178.94426	5321.846896	6168.560661	6172.702291	5755.638383	5581.747047	5672.056671	5458.301079	6629.011979	6816.34368	5566.36285	5133.863701	6958.703538	5946.623318	6173.600758	7265.559297	5661.298524
11.23_635.0122m/z	635.0121858	11.23078333	neg													2906.185335	2612.666906	2156.724839	3418.046332	2794.764205	2896.473821	4106.181941	3214.733634	2255.4606	3215.078496	3617.737708	2152.758761	3345.433687	2983.393125	2730.899038	2933.398742	2448.521924	2722.349767	2778.208699
11.23_951.5273m/z	951.5272641	11.23078333	neg													11491.09731	11216.96399	6996.106849	13995.8429	10697.67395	12059.77932	18898.72018	14153.22251	14953.56916	13717.31154	12285.30378	494.8496593	19306.25796	18662.10513	19731.65346	15083.33151	10503.39478	14309.09822	10028.49344
11.23_982.2027m/z	982.2026704	11.23078333	neg													6511.90521	6854.586067	5878.479218	6669.713579	6685.531224	7763.587161	7814.468487	6808.887436	6192.034411	6619.943394	8115.20058	5695.864162	6921.58808	6648.344772	8326.139418	7258.156346	7246.480852	7249.908704	6139.874865
11.25_183.0096m/z	183.0096064	11.25218333	pos													10508.36285	11453.78222	11602.94307	11817.81249	10956.49466	11530.88445	11049.3246	10837.9873	11476.22109	11288.69306	11227.33027	11508.53748	12282.67203	11205.05641	12583.23973	13889.91035	10590.31932	12311.92185	11914.26089
11.25_262.9757m/z	262.9756995	11.25258333	neg													2376.971506	1883.257933	2086.973735	2055.795468	1896.394005	2063.386394	2290.087461	1945.395135	1878.80574	1952.134047	1884.164021	2214.880165	2096.471629	2061.364078	2191.053745	2349.888433	2016.40879	2269.131497	2212.952893
11.25_330.8990m/z	330.89896	11.25258333	neg													12301.62488	12491.77217	11558.19504	11683.52962	12446.2003	12642.33258	13651.6327	14824.35122	14076.21365	14097.99511	13838.66363	12380.9167	12394.453	12911.60046	12753.08172	13507.58611	13625.74805	12851.94559	12214.6456
11.25_401.0053m/z	401.0053281	11.25258333	neg													2980.412611	3031.623447	3073.481105	3385.256081	3064.320779	2926.155505	3322.554394	3438.8897	3283.778035	2666.550023	3151.170058	2763.216193	2849.525967	2253.321657	2652.978221	2830.337728	2587.243526	3162.492755	3188.16509
11.25_599.2606m/z	599.2606484	11.25258333	neg													2061.970872	1425.557186	1321.301933	1202.378226	2322.822382	2907.393704	2118.389605	3550.295663	2261.620988	2237.716417	1590.936118	2530.236649	1410.439331	893.9060784	1477.513128	2495.203215	1728.609443	2047.273452	1185.384426
11.25_611.4391m/z	611.4390611	11.25258333	neg													978.2232606	949.6907141	703.1615424	1106.663638	975.4960462	1147.837141	632.4171734	2280.577377	2365.61685	767.159994	1110.23413	2234.211594	1117.335695	1328.054017	634.8404137	1764.493473	390.6223045	807.4491658	801.9914677
11.27_1029.2250m/z	1029.224994	11.27428333	neg													19860.55042	22164.44761	19273.96453	19344.64887	20494.65802	23062.67441	20980.60057	19292.71211	21751.56681	21861.6466	23090.79654	18354.34089	19258.68465	16576.32323	17755.46354	22014.73824	20649.71963	19975.20367	20764.19884
11.27_1046.2154m/z	1046.215417	11.27428333	neg													6039.472484	6814.147314	6787.163193	6505.685278	6102.952761	5214.081154	7307.547852	4410.563384	6628.567991	6311.638081	5380.734188	6945.778657	8343.534208	9064.870648	5061.041248	6410.414915	6411.140978	5993.392377	5527.59974
11.27_1129.1492m/z	1129.149244	11.27428333	neg													3987.460605	3321.656364	4574.460806	2458.806874	5035.886788	4102.364642	4298.708205	4311.957636	3483.404313	3080.732391	3708.064745	4764.740752	6256.591456	6377.405451	5267.153889	4273.90794	4484.693217	5551.471521	3209.012479
11.27_187.9407m/z	187.9406914	11.27428333	neg													2954.029858	2736.958989	2754.211776	2991.683682	2754.925782	3048.684197	2824.846882	2915.316559	2582.178797	2745.233096	2949.796481	2788.020051	2882.878721	2993.665421	2998.298354	2999.592997	3253.293885	2982.771755	2793.834911
11.27_306.0100n	351.0081147	11.27428333	neg													4077.848205	4460.829658	4363.93714	4365.989019	4333.209691	4489.143798	5060.30741	4511.452239	4256.162806	4600.866222	4633.354093	4100.678865	4251.367196	4118.060399	4336.666824	4254.757213	4336.372992	4424.144167	4311.331823
11.27_388.8781m/z	388.8780601	11.27428333	neg													1427.193243	1794.3747	1779.341825	1867.913571	1866.181584	1724.019951	1937.275724	2084.549433	2037.301845	1740.389417	1826.10709	1808.556333	1732.5372	2317.043884	2103.543171	2029.932221	1683.04022	1560.355065	1669.832633
11.27_417.0156m/z	417.0155925	11.27428333	neg													1644.767316	2461.437898	1934.458696	2146.923452	2139.931898	1947.470593	2090.290988	2016.099677	2064.982679	2191.014286	2164.743085	2053.897112	2425.591261	2082.760426	1998.711146	2056.977895	1972.021949	2132.929443	1527.011762
11.27_485.0061m/z	485.0061424	11.27428333	neg													3836.289545	4381.130112	4112.296583	4717.175804	4155.396711	4574.532876	4086.749716	4393.952713	3915.077014	4104.204212	3974.604594	4071.581984	4310.356386	4220.825495	4034.394801	3907.176444	4048.30447	3973.824171	4194.847294
11.27_577.0117m/z	577.0116733	11.27428333	neg													4743.957632	4381.57323	6357.252806	6412.503264	5251.038729	5243.715867	6803.795213	6846.407605	5839.718942	6633.678257	6020.501065	6656.033195	6640.591311	6763.902426	5386.783193	6473.285913	5040.474657	7180.068037	5337.382504
11.27_848.5477m/z	848.5476503	11.27428333	neg													3839.725259	2939.177162	4850.154871	3016.103822	6409.323351	3756.243422	5503.572276	3402.277108	8585.599109	5210.923621	3768.499805	610.9272733	5516.89697	7954.846403	2557.813217	8446.521164	6893.456927	4240.532847	5054.570971
11.29_124.9644m/z	124.9644027	11.2942	pos													14766.74188	16810.42209	16006.8254	16310.68805	14482.79368	14694.81824	14968.6625	14981.57243	14886.81428	15497.08599	16114.91476	17110.64587	16474.17083	16525.06332	17798.54457	17558.3588	16434.08153	17072.21152	15556.33123
11.29_209.0126m/z	209.0125863	11.2942	pos													58263.03277	58055.33471	58040.07912	61898.53634	56649.30373	57395.82046	59232.48151	57822.53997	57743.33321	58531.50968	58145.21652	58517.58841	56994.75153	57908.67816	63792.95683	65914.40354	60272.45016	61685.08631	57818.96941
11.29_542.4257m/z	542.425706	11.2942	pos													30793.4529	28828.55017	33355.59831	32338.33163	30931.06793	32106.17538	32245.63859	32480.08113	33075.41023	32901.4686	30555.5134	34701.17202	31260.69394	29389.632	35185.94377	35934.33301	32101.90051	33080.81226	31165.47693
11.30_305.0227m/z	305.0226711	11.29551667	neg													3102.035246	3198.725513	3116.64646	3107.097445	3036.291387	2891.11005	3326.533146	3048.553167	3237.990322	3334.630709	3240.519301	2933.724308	2945.459526	2642.092069	3472.571437	3123.347145	2941.656139	3177.408925	2965.022572
11.30_488.3146m/z	488.3145538	11.29551667	neg													4309.740866	3546.150452	3049.769626	3854.087576	2983.058184	2663.547623	5526.837481	5660.370777	5760.8944	2021.641836	4105.756475	7454.191456	2675.517644	2792.587107	5008.501628	4552.406069	5457.545199	4607.204322	1931.205561
11.30_549.3007m/z	549.300715	11.29551667	neg													1770.559406	1379.057597	1782.976942	1923.127374	2108.468323	1472.655904	1445.457452	1222.503365	1666.277441	1561.908278	1313.738405	2148.611572	2495.701159	2961.715912	1489.368264	2236.278298	1597.510647	1576.918062	1668.165963
11.30_570.3777m/z	570.3776995	11.29551667	neg													3531.58291	3596.061735	3542.486549	4611.422926	4653.704604	6296.542931	3915.36242	2497.99299	2543.646512	4665.684747	4182.123426	1997.298427	3931.223886	3639.423501	4256.925205	5166.758928	4632.289207	3581.077315	3770.565337
11.30_616.2843m/z	616.2843182	11.29551667	neg													2354.665076	2050.235704	1818.786415	2666.436769	2268.095491	1707.230955	2173.971278	1100.773731	2704.960814	1604.37258	2182.527124	3442.221519	3887.913075	3328.923392	2606.399734	2205.162679	2577.55664	2426.812202	2300.959
11.30_904.5679m/z	904.5679229	11.29551667	neg													146474.9074	229881.355	225320.0065	196130.7076	209818.2644	214213.8686	242338.1416	247663.0547	186580.4575	265136.5675	244741.2287	210947.2882	288218.85	239423.0808	38541.75166	182181.2505	202667.1579	205316.3223	225616.5582
11.32_1110.2261m/z	1110.226143	11.31721667	neg													5271.514243	5046.833089	3427.212567	5378.852683	3744.984796	5520.761924	6213.267823	6692.717169	3836.53431	5377.585894	6037.892768	5225.92396	3957.077529	4943.474584	4895.706604	5113.563027	4768.700273	5722.584578	3915.908666
11.32_1193.1616m/z	1193.161626	11.31721667	neg													4664.186362	4427.650677	5852.829028	3822.798002	4455.984197	3110.566842	3312.480557	3900.590112	3034.898185	3475.032994	5198.233199	7209.288196	5392.21437	6460.217653	3964.793314	4021.405825	3290.816776	3318.257211	3497.614391
11.32_204.9414m/z	204.9414375	11.31721667	neg													4134.643977	3677.673505	3541.30455	4425.193054	3840.336159	3953.957386	5058.810701	4506.341065	4751.92403	4823.448886	4730.257512	5036.35312	5416.314474	5708.508432	4926.387866	4671.321484	4618.578172	4861.001284	4236.198195
11.32_300.9914m/z	300.9914205	11.31721667	neg													3564.877563	3620.642428	3837.073099	3556.272211	3745.675246	3248.651825	4083.067204	3893.278946	4121.878942	3939.363084	3951.618098	3444.676458	3618.236426	3832.708651	3699.721396	3681.048727	3650.579706	3931.484788	3341.762329
11.32_310.6514m/z	310.6514332	11.31513333	pos													1587.555495	1239.386641	1733.374309	1374.004886	1374.62229	1301.627056	1948.020847	1106.507438	1731.779506	1002.19148	1281.980695	753.1757469	1358.411321	1867.062764	928.2548354	1995.44934	1665.498808	1602.254111	1795.355061
11.32_336.9928m/z	336.9927686	11.31721667	neg													1004.952903	1296.626661	1104.163859	1360.625446	1130.286378	1165.795464	1139.630133	1200.564178	1180.728737	1250.622381	1277.998996	1102.327854	1210.644156	933.9361033	1186.271699	1100.958162	1094.765051	1245.452903	997.6883485
11.32_410.8600m/z	410.8600196	11.31721667	neg													2360.887419	2740.828801	2919.350772	3227.943505	2541.088251	2968.371934	3179.255676	3154.375089	3162.746695	2901.265905	2820.390904	2759.025435	2986.843683	3790.053537	2988.760245	2914.412281	2914.485502	2889.287609	2692.555941
11.32_436.3393n	454.3731546	11.31513333	pos													44788.07318	43656.0698	47847.30801	49611.93363	43279.78568	45759.78816	45481.53973	40810.91429	43368.75787	45993.01631	45191.51129	45590.97363	42436.63693	43165.13911	48757.19767	46373.62522	45725.7439	46827.51051	45202.75755
11.32_484.3296m/z	484.3296211	11.31513333	pos													4455.96689	5043.485103	5014.699066	5316.558905	4897.231849	4043.011637	5327.535296	3558.136781	4914.496819	2820.274056	5061.344044	6442.200223	6576.037076	5243.814018	4326.520661	5387.647516	4772.924587	5197.843288	5330.018363
11.32_498.3994m/z	498.3993881	11.31513333	pos													33126.5614	30438.28511	33462.30038	33345.23561	33402.57668	31406.2817	33703.09526	31520.87414	32568.20928	32020.323	31730.21058	33113.42963	33155.00776	31905.11408	36804.87458	33750.08295	31345.1767	34601.05144	34253.0942
11.32_500.3957m/z	500.3957111	11.31721667	neg													1872.134855	1558.987372	1713.949885	1232.901787	2240.946703	2777.82976	1865.28088	2455.153302	2387.914903	2235.779147	1409.745181	1680.181915	2113.845314	1520.962185	1234.657486	1266.807042	1970.542553	1989.783663	1551.689908
11.32_602.8490m/z	602.849022	11.31721667	neg													1580.249708	1654.408411	1455.372314	2453.197259	2758.602304	3179.981488	2400.541147	2685.588567	1690.270401	2927.827848	2444.424861	3028.083321	3192.957996	3757.288084	2782.127768	1926.957563	1742.639662	2955.429488	2058.048266
11.32_707.2639m/z	707.2638591	11.31721667	neg													6756.110132	5886.620636	5761.117565	7469.14122	7909.838935	7792.082449	8451.106881	2916.935956	4757.279926	6587.390656	5180.004171	6221.926669	9640.346046	8750.07937	6524.539254	6118.030635	6589.622805	5732.250998	7323.378361
11.32_900.4979m/z	900.4978662	11.31721667	neg													13787.23116	17635.06808	17507.20362	15170.57885	15473.16358	13738.52321	15721.03869	16749.89983	17579.84042	19922.09443	20291.91429	16016.06835	8049.212466	12747.19278	18121.39072	17180.6603	17058.76947	19181.77834	18734.49713
11.34_165.9905m/z	165.9904868	11.33533333	pos													53964.55106	53041.98104	58044.35048	58762.82257	55232.13127	56378.48342	57207.53634	57910.45414	57711.50663	58019.501	57535.79614	55593.24499	55793.73338	56639.69093	59121.77836	62627.18214	57654.32864	61639.58111	55936.88495
11.34_317.1367m/z	317.1367249	11.33778333	neg													594.6908471	722.5849389	645.9188461	409.3294126	1052.758536	444.6120756	919.47358	944.3052641	831.7812779	935.0728242	683.2810581	475.9874646	666.0208767	1283.321082	884.7323117	688.6425652	329.361756	441.061639	422.1912253
11.34_348.2868n	371.2761398	11.33533333	pos													14411.23975	13055.2975	14279.45547	14936.33548	14186.41185	14905.29862	13834.23911	14548.98514	13724.69552	12057.79561	14298.75728	12350.06111	14862.19329	14662.2203	15358.56565	15723.8223	14028.96028	16836.08672	14278.772
11.34_385.1994m/z	385.1994477	11.33778333	neg													1971.253799	3467.5891	3201.047775	609.4495149	3001.629323	488.0510099	1517.915973	431.7922991	401.5594971	772.9873834	1398.870482	448.9871924	1446.281761	779.4310995	1066.619939	1429.420772	887.516298	547.622864	657.2456525
11.34_391.2471m/z	391.2470755	11.33778333	neg													774.7911523	536.2301402	674.1259232	648.78606	0.000297236	138.0911717	382.2748197	855.5224881	755.597958	0.000297236	413.7039343	1249.417786	959.3944168	866.7491725	549.4118117	662.4768258	702.1208632	1214.611994	836.626154
11.34_415.3022m/z	415.3021543	11.33533333	pos													24037.39233	21428.64232	24890.87717	24686.47415	23803.35992	24121.40885	24558.16679	23639.36839	23604.93824	22880.58916	23724.99408	24484.31253	21606.69708	22410.79198	23949.01393	24761.66215	24543.49455	25919.8196	25448.65982
11.34_443.3337m/z	443.3336667	11.33533333	pos													14231.8847	12142.93546	14238.16524	16693.3472	14423.40927	15262.91372	15477.59603	16992.6843	16242.18937	14231.96772	15722.17846	14632.44072	15748.97213	16387.21261	16493.60261	17365.39349	14127.70847	15886.40303	14536.93283
11.34_519.0253m/z	519.0252569	11.33778333	neg													5114.242073	5871.034901	4713.256895	4828.449373	4219.292187	4961.337607	5510.833879	4787.393966	4184.241089	5356.699451	5011.902829	5341.416425	5243.820149	5135.812347	5054.800122	5103.27625	5351.922789	4896.353615	4785.513553
11.34_689.1180m/z	689.1179948	11.33778333	neg													5940.774127	5030.710947	4696.447257	4379.851012	4996.983978	4179.332452	4176.277395	5006.479345	4858.85439	4444.990217	4389.720257	4987.783573	4655.634919	5765.990729	4939.546891	6981.099427	4300.073444	5453.033939	6102.029023
11.34_801.0172m/z	801.0171589	11.33778333	neg													4006.860507	4284.172385	4080.966812	2835.19155	4576.724996	3258.096761	4372.293956	3573.908722	2588.470422	3461.646898	2447.607631	1485.581136	4453.495022	3666.762072	3108.717347	2193.78555	2855.115901	4268.114195	4304.949662
11.34_818.5648m/z	818.5648496	11.33533333	pos													36427.38195	55382.21957	47165.09617	42608.80801	42679.52065	48165.96873	44826.80493	51617.68929	55838.80878	53293.86937	51598.19751	65080.26897	37345.73705	68611.56098	75494.54791	89963.60042	117289.1862	99512.1447	54379.22567
11.34_938.5344m/z	938.5344017	11.33778333	neg													13590.09835	15286.0906	13995.95021	10692.80925	12723.95354	8853.069674	15140.55358	13767.88715	11216.85447	12416.5212	9075.315058	8516.749668	12036.05587	18463.04757	0.000297236	17167.54968	11286.35279	16761.43166	10244.04261
11.36_1157.2496m/z	1157.249553	11.35938333	neg													10644.89028	11511.56354	8747.747429	9717.37791	10565.19381	11744.31023	9957.813191	11144.44275	10316.57123	11000.86065	12292.53054	9027.760953	7247.597637	8181.230991	8703.44065	11969.61596	8236.752994	9286.244324	8158.460418
11.36_158.9858m/z	158.9857945	11.35653333	pos													457556.4219	501654.4262	473426.201	480659.5208	453301.3284	466441.1006	464982.9848	462178.8853	465664.1976	463045.1662	474806.8172	507267.8387	487955.5403	495221.9278	515194.3579	521758.3226	486993.5299	501326.8935	463896.7852
11.36_358.2764m/z	358.2764328	11.35653333	pos													3069.122498	2181.782878	3597.936996	2641.474588	2351.376163	1180.064585	1719.523771	534.3824756	1176.260539	1112.759652	3022.177545	1051.301387	3232.902653	5231.718839	2092.593464	2335.388366	3498.280652	3827.607782	3995.225261
11.36_363.2152m/z	363.2152155	11.35938333	neg													2821.201692	2354.824305	2733.552353	1969.830098	2733.205711	2944.970481	1854.998529	3162.026942	3162.562324	2456.130397	1979.794268	4033.299469	3421.250943	2199.263977	1913.432056	2459.814405	2152.735152	2731.566231	2341.851843
11.36_614.3651m/z	614.3651382	11.35653333	pos													43800.59077	43410.00977	42461.08985	57552.72412	40600.36484	41366.61021	32665.12094	24540.51521	37460.9989	31377.57068	40020.47806	44166.73266	60327.78313	56214.78603	48569.78307	57758.72186	43736.87174	54266.38123	55083.82873
11.38_148.9376m/z	148.9376152	11.38033333	neg													791.2260733	782.1663668	867.9479964	903.1702365	974.8617487	929.8810103	979.5373217	870.9301364	908.6335741	1027.655241	882.5306434	892.1530638	898.3821844	852.8169152	815.9103475	928.5616941	775.3065502	996.5057528	827.94707
11.38_311.6632m/z	311.6632473	11.37623333	pos													1635.65317	1353.892018	1549.442724	1445.154398	1084.018154	1297.271865	1187.218579	1128.048795	1892.812697	1083.042775	1294.60077	1167.518489	1194.888596	1155.117533	1502.469924	1527.857271	2369.782585	1052.568404	1564.612849
11.38_325.9367m/z	325.9366761	11.37623333	pos													16690.60753	10939.03875	19178.47407	17779.39576	17143.44085	18977.19207	18765.92791	17194.18323	17744.41087	19380.3842	17251.81413	11848.1733	14592.30524	15049.34564	15657.9242	20630.18928	19015.31262	19166.05884	17777.30562
11.38_331.6749m/z	331.6749203	11.37623333	pos													1272.90652	1156.75398	1635.525675	1264.243118	971.480002	794.3290841	1216.383603	1146.980005	1394.046238	1340.56635	1323.349608	1699.691522	1914.510023	1519.05668	1631.332361	2223.565155	1716.852096	1821.335215	1825.26088
11.38_339.0078m/z	339.007825	11.38033333	neg													2811.936793	2888.451397	3011.609133	3232.932158	2670.634035	3083.539203	3222.056615	3595.947501	3106.020802	3155.940782	3356.896411	2744.062126	2908.247164	3029.561372	3013.920766	3212.369634	3001.608422	3049.061885	3043.531811
11.38_349.0117m/z	349.0117069	11.38033333	neg													1658.319323	1820.790015	1506.919327	1980.625686	1679.025641	1985.384761	1770.18256	1590.15423	1812.92654	1536.06837	2015.81014	1549.692308	1768.437855	1450.768615	1555.604037	1682.424279	1802.05014	2158.758083	1763.824988
11.38_397.3068m/z	397.3068348	11.38033333	neg													1186.987708	801.0441008	1097.370825	1293.462771	1345.749808	1312.390879	872.1249514	941.6782325	1071.372416	707.8888189	1049.9765	1807.021694	1419.272099	1715.289049	1287.8939	1030.80626	1194.13702	1383.495904	1449.484181
11.38_482.4195m/z	482.4194921	11.37623333	pos													23630.09391	22151.44095	22545.82426	14985.25229	25328.2231	30822.18912	19519.34881	25303.38753	22645.12719	24844.41065	16489.88763	18359.2964	21892.1958	22517.74836	19842.06194	18705.47912	24943.73571	25649.17608	22461.15891
11.38_558.3329m/z	558.3329434	11.38033333	neg													1360.040994	1208.362416	1512.751952	1182.05041	1124.746152	1241.282319	1743.752423	1203.819848	1586.129767	978.9609498	1566.170001	2007.727395	1507.892613	1467.860073	1406.327137	1814.951018	2255.398969	1165.212596	1255.387261
11.38_567.0069m/z	567.0068939	11.38033333	neg													2792.939816	3126.717816	3220.797954	3168.135322	2631.428824	3138.724657	3709.795976	3164.62288	3463.322719	3245.566309	3636.778565	2837.329034	2853.464873	3296.046576	3709.531198	3116.073093	3281.462963	3682.852647	2251.194898
11.38_704.3370m/z	704.3369709	11.38033333	neg													4794.573574	4471.967736	4212.090583	4280.491426	3604.426491	3964.41906	5347.784701	4755.444835	5868.343551	4654.611609	6175.794765	7318.379166	5135.967325	6095.053529	5316.539904	4475.617691	5536.273592	6109.920766	5832.569517
11.38_704.9966m/z	704.9966197	11.38033333	neg													3138.956581	2639.351738	2415.608463	1126.384011	453.3375152	2664.495579	2166.967072	1300.778077	2199.687673	2790.922098	1755.289487	2920.823852	2430.338049	2178.966686	2135.314775	3056.144057	2239.674998	3055.584193	1993.550861
11.38_772.3249m/z	772.3249419	11.38033333	neg													1734.718942	1800.214647	1465.632887	933.2542192	1491.077326	1433.635575	1875.674238	1564.961741	1253.935916	1152.016213	2118.323156	1963.987655	1668.660937	1821.380357	1423.788477	1664.389714	1761.217779	1352.498709	1587.102383
11.38_819.0664m/z	819.0663542	11.37623333	pos													24714.51443	46145.9645	38771.59253	38091.6916	30578.45796	39223.85511	32526.41502	36908.25476	36153.59524	45462.1518	38969.13992	53098.44946	33172.82158	59961.92956	77074.95975	73446.70137	98913.51726	79689.8239	50356.1421
11.40_229.1432m/z	229.1432069	11.3976	pos													34088.86694	32831.79431	33735.53714	35073.80996	31562.42783	32720.63584	33164.43236	32777.70648	32887.16247	34120.25592	34791.38283	31064.54317	30790.09501	30230.28632	31946.71023	34774.21581	31588.53108	35203.23873	31774.26757
11.40_589.1241m/z	589.1240689	11.4019	neg													10040.39199	7368.604934	7834.08634	9047.708206	7723.374149	7867.924642	8154.701231	7420.707748	8211.770678	8002.814996	8967.522953	10068.86174	10291.07829	9344.587712	9231.567799	10852.21476	9790.498221	9545.185251	8808.490699
11.42_213.1845m/z	213.1845067	11.4183	pos													4172.105982	3459.172886	4173.102575	3727.406258	4071.955017	4565.863576	3900.536755	4240.318835	4350.638029	4303.344856	4542.621673	3926.563284	4076.611708	3889.372671	4460.141236	4092.708082	4240.128306	4130.971084	3980.850535
11.42_301.0113m/z	301.011327	11.42268333	neg													1568.806775	1477.085427	1157.078374	1483.531612	1487.492368	1342.513042	1369.233714	1539.981	1411.808761	1756.882034	1349.655728	1375.974983	1305.286463	1369.01265	1655.708454	1641.273881	1522.856614	1534.344719	1490.19233
11.42_386.2640n	367.2461501	11.42268333	neg													2843.735025	2291.523103	2483.964799	2825.613501	2463.343394	2698.676012	3186.083804	2161.747623	2626.620982	2764.2718	3056.484974	2459.99462	2735.984218	2493.855867	3335.281267	2690.028339	3006.199326	3566.977404	2489.479791
11.42_401.0054m/z	401.0053819	11.42268333	neg													3696.87866	3889.11196	3979.730383	3671.913257	4181.130647	4291.975559	4021.428335	4469.244676	3894.242064	3952.765365	3587.786991	3497.769807	3654.132784	2730.884679	3800.304803	3948.369051	2910.385494	4097.444891	3605.954298
11.42_431.0143m/z	431.0143476	11.42268333	neg													1611.281763	1419.197677	2157.893567	1164.140473	1410.407803	1630.516012	1676.102861	1384.800314	2199.22231	1687.054419	2347.242922	1347.3636	1243.652688	1617.844846	1967.312308	1986.539478	2351.30823	2089.051396	1725.583726
11.42_433.7631m/z	433.7630665	11.4183	pos													51220.74639	57235.03561	59711.73955	58571.99917	42106.91471	46084.77958	55231.40021	61803.17524	59116.77015	48873.46868	47710.1362	105655.5734	103218.2671	144081.2925	230023.8026	72008.09228	11646.20469	30247.62411	44709.14043
11.42_623.2604m/z	623.2603737	11.42268333	neg													17411.96473	12938.22382	14646.46637	20530.03298	27024.43126	23263.04357	17905.86067	20665.42267	12906.84596	21205.51657	20582.02413	24463.96483	13059.92321	12857.52419	20252.12332	25168.38198	19523.57275	30993.91822	18345.79764
11.42_656.3418m/z	656.3417531	11.42268333	neg													1339.013648	931.3756854	1000.634567	1662.620767	730.0677366	4491.420277	557.2687812	1489.648005	3009.205591	1097.608702	888.1240545	1204.58605	1960.397105	474.42703	222.4700685	1335.185434	876.4526169	788.6540086	775.7443028
11.42_736.5505m/z	736.5505468	11.42268333	neg													63705.75626	71980.56486	85261.11082	85064.32801	62192.03337	60143.36041	63184.82997	66358.11914	86048.59869	80057.27743	83872.27815	57768.47822	78203.98459	87800.47942	88832.57581	42216.61064	68997.78757	77244.18384	82655.09493
11.44_320.2310m/z	320.2309504	11.44436667	neg													770.6712707	1378.211229	1214.533237	521.071162	855.7745561	469.7858914	598.5554852	347.0916005	231.6030666	398.9989928	475.1963777	565.3283608	567.216432	546.3512298	339.5184261	390.5789085	504.2939972	376.2462792	572.2248929
11.44_560.9400m/z	560.9400294	11.44436667	neg													5996.649309	4524.84304	4901.407658	5893.982899	5031.244298	4305.810709	4748.36845	3740.278479	4906.565329	4320.93752	4810.572117	5117.010161	5974.137726	5716.501948	5657.218647	6292.628634	5547.164302	4949.403933	4854.098494
11.44_594.3049m/z	594.3049243	11.44436667	neg													1672.559471	2927.578878	2152.466377	348.41294	1552.381684	280.3599052	195.8353184	0.000297236	0.000297236	0.000297236	934.6921179	274.4445911	1390.759763	0.000297236	149.1744934	946.8592799	316.4335995	364.3673465	307.3612463
11.44_641.9249m/z	641.9248622	11.43953333	pos													2932.843322	3483.476214	3185.866486	4120.183212	1959.389389	3654.91427	3630.532718	3945.027167	3343.977046	3427.445961	4093.282416	4598.028408	2370.692504	2512.562088	4192.373009	2790.436174	4383.79446	3175.224825	3588.294639
11.44_642.4261m/z	642.4261009	11.43953333	pos													2065.178757	2147.547603	1835.129364	1154.205208	1293.45467	2453.98009	1837.368191	1116.236615	1538.61977	2680.936927	1676.147337	2908.744046	1286.995253	408.0595288	1954.133152	1580.169369	2796.947497	1921.672538	2770.549052
11.46_348.2865n	371.2761782	11.46015	pos													11672.25963	12142.17395	13006.19931	11441.49024	11743.96828	12153.51378	11913.98041	11709.06759	10913.79327	11643.32206	11800.5111	11699.07967	13213.83745	11725.3686	13689.48484	12181.31	11316.42192	12212.11666	12370.13137
11.46_410.3468m/z	410.3468458	11.46015	pos													7547.004345	6576.468645	7050.415002	7352.257857	6943.281705	8097.480844	7722.655101	7591.393113	8124.492585	7988.564924	7502.61426	7834.751772	6755.443065	6980.743628	7892.73992	5983.076933	7261.706843	8520.744291	7875.806528
11.46_617.4334m/z	617.4334215	11.46015	pos													6253.489326	4738.943335	4289.520153	4056.167995	4513.03444	4156.055672	4446.762379	3974.578106	5754.116431	7250.220589	5027.863321	4518.016469	4990.065677	3635.175872	5437.487169	4658.899555	3795.257164	5589.141158	6283.068392
11.46_617.9358m/z	617.9357663	11.46015	pos													2921.270856	2365.856653	1999.212799	1398.18304	3043.238306	2291.752414	1990.216149	2895.726999	2885.316103	2652.278145	4302.78301	2305.384422	2229.46215	2563.509701	2333.682082	2020.49892	2889.313757	2368.591242	3375.924156
11.46_639.4468m/z	639.4467884	11.46015	pos													3177.695611	2885.1413	1923.848907	3014.926246	1748.02098	2660.496308	4344.837703	2524.063001	3338.797006	3393.756619	4202.616321	1787.098331	2521.555781	2015.347396	1865.666974	1837.043408	1995.426346	2649.465202	3445.362667
11.47_385.0105m/z	385.0105126	11.46591667	neg													2272.996896	2495.02289	2541.480064	2161.671744	3128.287167	2065.194079	2787.505506	2566.716797	2380.470502	1818.137591	2976.461469	2376.205434	2441.019828	2207.070609	2722.233858	3087.077055	1699.486844	2497.778427	2432.629477
11.47_416.2806m/z	416.2806136	11.46591667	neg													2483.003911	2024.283762	2361.209326	3186.858953	2323.695356	3078.543443	3060.582245	1605.577408	2155.737159	2883.926022	3520.970154	2569.218701	3424.114003	3224.911965	3485.527072	3877.101187	2938.577037	3621.954511	3701.286841
11.47_433.0117m/z	433.0116567	11.46591667	neg													3748.759715	3694.14013	3949.861786	3579.828319	3378.893355	4098.278003	4057.229938	2851.648033	3676.566507	3856.811993	4251.344464	3102.150594	3668.839613	2438.935381	4206.684359	3145.204292	4237.456637	3480.125261	3788.965262
11.47_449.2749m/z	449.2749348	11.46591667	neg													632.8178582	418.0897267	561.5890824	459.2878913	532.5754601	618.6703212	187.2550975	178.4987229	454.6112178	509.0333242	462.9311341	740.7038116	366.8948147	199.1395655	606.7342344	404.8381207	637.24357	722.388552	291.4253694
11.48_289.1378m/z	289.1378382	11.48118333	pos													8289.262557	5826.709693	8380.081117	9965.605698	7783.345163	7590.492865	7173.188645	5672.543093	5894.685937	5906.433959	7998.023111	5832.737936	7815.2617	9072.641803	8312.893323	9357.434734	8136.750028	7349.084683	10807.25023
11.48_290.6398m/z	290.6397843	11.48118333	pos													6798.245616	5491.610227	7219.575276	9768.789946	8196.139597	7106.626809	8016.321636	4130.869064	6018.201889	5429.961462	6915.560856	6566.572906	6470.400023	7797.907754	6887.143847	7558.841686	7066.304618	6494.466903	7946.823297
11.48_299.6453m/z	299.6452565	11.48118333	pos													199.8984751	325.5159437	298.7927661	838.1181696	534.7167076	362.789895	510.5070125	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	338.3051045	230.4709381	214.2942614	203.8278827	450.2305668
11.48_310.6514m/z	310.6514264	11.48118333	pos													49911.55645	46457.75532	52795.265	61280.90297	52859.34984	50625.16279	47854.20636	34206.82079	38766.66851	42370.82406	49110.29924	47509.47135	57581.89308	57959.88846	51347.93271	53802.66044	55728.60896	54611.72535	63192.83577
11.48_485.3317m/z	485.3317364	11.48118333	pos													17412.25925	19493.88867	19436.83876	23174.90665	18316.23179	17038.47822	18890.46908	9803.194535	13478.86609	14134.41532	17248.37301	19254.21874	24337.01949	20899.99859	18410.63371	17887.56229	19004.06779	16987.46015	22592.20235
11.48_526.2877m/z	526.2877459	11.48118333	pos													27633.30849	17616.65364	28068.36194	31499.17871	27670.49248	25977.20406	27272.43074	19514.18541	22073.77324	22167.69095	27299.37115	16602.50598	22573.09626	23692.6127	23157.55081	27150.35452	27442.16583	27009.73977	31671.62567
11.48_579.2685m/z	579.2685426	11.48118333	pos													42026.39012	35514.74695	44850.7791	52603.92324	54998.60723	51838.13345	40845.65957	45635.61417	35054.35988	49624.38069	50421.96998	46695.98071	34046.39528	34214.61468	41613.61449	49337.79126	46368.50063	61967.5063	48740.33866
11.48_595.4208m/z	595.4208313	11.48118333	pos													8729.239406	7141.805933	8119.556617	9808.110161	6328.034993	7281.141875	7273.499659	7175.524302	5290.127881	8492.954454	8615.779751	5816.761959	7478.781761	5335.926571	7188.247153	5755.12363	5868.366344	7497.565059	8191.978976
11.48_595.9218m/z	595.9217517	11.48118333	pos													3168.050432	4960.804842	3358.006042	3585.396884	4402.395151	3612.90085	3188.320432	3337.003669	3404.29887	4833.049846	3756.90616	3623.383685	2099.496193	3688.422234	4829.59779	4011.087604	4993.840331	4627.386071	3277.470629
11.48_597.8981m/z	597.8981203	11.48118333	pos													7182.228656	5720.800689	6900.721395	6480.13098	5683.592145	7127.876246	7948.772134	7355.562994	8267.768923	10413.85297	9670.08879	8422.682606	7704.538485	7143.479087	7205.909002	7499.414405	7982.423649	9243.799701	9189.566665
11.48_598.3995m/z	598.3995199	11.48118333	pos													3034.322445	3328.312055	3620.285479	4103.145859	3827.895675	2778.760412	4120.871568	2785.383317	3082.603078	3631.622728	5024.207097	2404.610572	2972.672228	2355.007516	4343.212212	4308.950565	2630.983333	5431.975473	4287.126501
11.48_637.4153n	620.4120304	11.48118333	pos													12996.76502	11100.36151	9042.02004	9063.777355	16703.05581	7892.777461	9920.085104	5272.771241	8870.915004	8860.818918	11416.17014	9991.228325	6031.504343	6135.58502	5165.329461	5569.967473	5748.551642	6155.314743	7651.577236
11.48_962.6314n	963.6386986	11.48118333	pos													144484.0096	116567.3746	142535.7295	193693.9027	146512.7531	137772.2882	143494.4775	59910.67859	91789.24525	81446.4269	135503.593	131691.6735	221286.3953	203029.1368	124394.7845	145453.4327	145728.5493	138483.2239	213542.8356
11.49_1051.5951m/z	1051.595146	11.48636667	neg													6869.564463	4198.187109	6401.45929	7367.962012	6268.887219	4802.715272	8265.409739	1205.003641	2684.689232	3377.748989	4360.139342	6050.746302	14749.14728	9959.945842	6304.917167	8414.012558	6673.486311	5160.830643	7240.231202
11.49_1182.8760m/z	1182.876044	11.48636667	neg													15536.37169	11257.0349	12355.15482	13813.89729	15376.28533	16006.84118	19761.00702	8293.614369	8969.326488	8958.156376	17141.19677	0.000297236	28200.34501	23467.93406	18717.43735	20422.00651	17282.10024	12619.77703	18470.46957
11.49_224.8027m/z	224.8027036	11.48636667	neg													5351.351849	4204.624925	4795.954268	4771.343634	4871.047494	5198.446846	5161.137938	5352.329558	4671.379345	5078.827098	4972.618184	5678.587111	6026.962274	6047.732709	5773.656115	6032.905202	4888.186158	5836.798215	5220.540005
11.49_226.8004m/z	226.8003612	11.48636667	neg													1155.596018	857.2884517	966.2899293	1034.689388	1085.266641	957.7532809	1123.51837	1105.038123	941.9948147	1008.679508	1217.632595	1332.939574	1417.101152	1383.767642	1276.163091	1098.804085	1228.415192	1219.662103	980.5061825
11.49_449.0219m/z	449.0218702	11.48636667	neg													4500.485298	4791.827186	5360.87735	3856.903813	4302.560718	4594.104144	4488.496119	5308.613833	4877.307096	5109.027067	4920.484941	4860.43338	4729.115365	5587.458257	5325.87647	3906.808092	4205.708534	5570.605146	4061.215868
11.49_480.6492m/z	480.6492447	11.48636667	neg													910.5408345	704.3884733	634.3088226	874.0526756	857.7197951	1097.309346	583.7130477	764.662517	937.150528	568.2927466	1020.111032	932.4301004	652.4389727	428.2514107	721.2113656	1277.216227	1285.663955	897.8353587	837.658222
11.49_483.3176m/z	483.3176399	11.48636667	neg													10480.08756	8457.029576	8811.010917	10893.46721	10799.97404	10106.408	11019.58669	6363.686024	7611.124044	7905.525703	9156.067739	9684.367962	13811.63375	11807.78588	9226.076162	10692.19811	10749.28402	9614.289378	11440.23529
11.49_538.2681m/z	538.2680959	11.48636667	neg													8076.198342	6915.654812	8390.804541	10037.64856	10004.32818	8760.326802	7819.009015	5907.111463	7334.781577	7298.011983	8868.334578	8972.955069	11292.0032	11651.73354	8113.430417	9879.026243	9707.997699	9346.652042	9743.203117
11.49_555.0073m/z	555.0072963	11.48636667	neg													2278.650858	2520.699443	2367.209771	1525.014883	1351.289803	2169.806351	3487.479418	2672.849845	2669.838605	2702.910674	2333.511606	1682.190731	2560.961587	1788.034147	1917.141834	2402.552703	2028.026685	2673.250468	1131.09038
11.49_580.2345m/z	580.2344777	11.48636667	neg													39269.51824	38422.28163	38508.90932	45558.60839	43680.75456	41461.72953	42782.12726	26820.39763	33972.59157	34880.10007	41918.30474	39901.24471	56035.21237	51429.08745	37185.02969	45530.26576	42805.50603	41590.83446	48835.24746
11.49_606.2549m/z	606.2549021	11.48636667	neg													4014.469627	3009.663508	2583.961274	4075.314316	4006.265033	3495.397572	4193.418831	2216.18325	3233.433034	3254.067809	3006.668824	4069.958368	5588.388764	3924.528676	2930.944512	4311.341694	4262.229639	3850.467808	4762.039862
11.49_620.2269m/z	620.2269182	11.48636667	neg													11617.43928	8778.131007	9269.971573	10847.61494	12004.52738	10674.05164	10417.53	7718.119107	8640.945622	9131.620052	11011.30413	11241.97415	13133.76357	14524.23023	10103.3876	12756.05652	11876.38352	10863.35513	12709.28964
11.49_628.2397m/z	628.2397138	11.48636667	neg													12104.30723	9508.076402	10215.67785	9994.633847	11826.3334	11393.85702	10520.15496	7556.084004	8724.728821	7854.551175	11196.02939	11378.88858	16746.28001	13050.76372	10536.18748	11923.20609	12220.7177	10812.33303	13482.09951
11.49_633.2742m/z	633.2741904	11.48636667	neg													2100.727949	1767.282495	2220.695938	2597.677702	2751.575981	2757.805197	2815.595691	1182.480163	1658.806518	2386.675723	3072.655502	2704.268091	2748.070167	4026.766085	2157.897065	3334.197362	3061.339872	2916.402725	2917.258454
11.49_684.2716m/z	684.2715571	11.48636667	neg													29257.11369	23772.20603	28602.52969	31422.83805	31104.71959	27896.85372	29480.9602	20230.66247	24943.53068	23463.70982	28494.7002	30594.21644	39612.91868	38912.65877	29832.86068	35316.85048	30347.9357	29043.18554	33253.32971
11.49_688.2145m/z	688.2144612	11.48636667	neg													4281.730025	3496.866157	2793.986333	4444.318232	3820.146602	3860.220331	3839.181198	2280.480618	2571.845118	1472.222162	4967.716809	4889.32455	6666.720226	4652.634369	2808.923309	3685.617107	5251.462239	3846.644771	4868.973569
11.49_752.2588m/z	752.2587904	11.48636667	neg													13676.00878	12119.18291	13278.93329	16273.53503	14196.75877	14538.14669	14159.4635	9813.517298	10708.9336	12536.84636	12778.17731	17024.39276	20117.25108	19823.0068	14364.25824	16336.38129	14107.96247	15936.79127	16643.83812
11.49_820.2465m/z	820.2465121	11.48636667	neg													7473.112777	6163.141456	5497.89679	7474.322142	8576.422211	6878.599032	6465.940949	5521.155672	8062.069374	6406.379834	7589.278303	8871.511132	10873.83492	11231.24909	8418.516715	6818.497849	7051.829627	7156.940241	8040.116598
11.49_888.2333m/z	888.2333277	11.48636667	neg													3186.251903	2106.083585	3755.379869	3419.877797	4682.044581	4516.512966	3750.308443	2688.894554	4122.52391	2216.095403	3541.816071	3111.066231	5497.56607	5858.485025	5026.142904	4978.350666	4001.290657	3888.787893	5196.965644
11.49_983.6078m/z	983.6077966	11.48636667	neg													18436.7885	17467.26522	18595.4034	21540.46056	20431.90304	20291.44454	20289.6895	8322.623826	12409.99642	12072.47858	19193.64886	23210.67563	39330.02052	32464.60886	19168.64421	24995.00502	23578.99856	20270.00896	29476.40915
11.50_226.1586m/z	226.1585692	11.50115	pos													3120.713283	2928.329785	3178.045308	3064.717867	3344.793469	3194.167034	2938.887538	3179.563208	3271.421063	3186.145584	3478.258819	3181.630208	2903.696732	2904.12347	2722.15398	2829.32073	3539.636311	3567.336768	2887.120259
11.50_277.2156m/z	277.2155623	11.50115	pos													1633.477539	1135.382376	1751.277522	2098.567547	1132.561909	1398.205021	1098.373976	950.7846435	1292.366627	1049.961398	2493.378035	2162.577858	1367.49007	948.3776501	1832.772749	2605.471785	2440.558715	2863.83907	1613.56021
11.50_288.6399m/z	288.6398897	11.50115	pos													3215.642024	2401.953464	3072.99287	3971.66449	2932.299716	2893.561644	2679.594733	1629.711327	2800.95388	2179.157954	3459.218176	2000.90864	3750.58095	2924.762225	2947.340055	3657.39216	3687.804222	2453.943143	3528.380222
11.50_309.1528m/z	309.1528242	11.50115	pos													2075.157156	1845.092864	2094.120864	1699.177239	2217.786636	2264.080571	1430.06634	1219.514471	1646.001448	1183.727056	1308.636729	1690.436758	2234.072119	2401.480575	980.8149508	1634.921229	1907.903193	1705.135278	2499.752409
11.50_573.4076m/z	573.4076404	11.50115	pos													9579.887906	10838.07232	8568.069854	9679.153509	8938.316696	9880.92976	8665.509846	9263.562283	10106.73665	11020.77282	10215.65866	8701.544364	8020.785819	8794.261802	7707.650707	7871.665143	9653.996317	10044.00965	9315.118148
11.50_573.9088m/z	573.9088123	11.50115	pos													6215.925844	4204.213133	4541.217712	3996.818091	4801.291834	4313.18456	4111.552201	5150.779529	5316.963082	6454.768366	4679.885313	5155.509974	3236.578832	4960.551334	5871.976299	3236.969679	5898.625408	6577.235605	5247.625794
11.51_337.0100m/z	337.0099541	11.50813333	neg													2744.670625	2867.85607	2720.768541	3177.217543	3105.506208	3037.27199	3132.94179	2833.418014	2826.982022	3031.724295	2947.198862	2471.064411	2566.631582	2770.974375	2675.441739	2866.622958	2656.679715	3119.589947	2727.080824
11.51_599.0130m/z	599.0129673	11.50813333	neg													7348.992908	6276.555462	5351.675584	5372.28794	5989.549069	4563.169642	6793.376724	7387.701341	5688.96735	6019.646985	5498.499038	5677.789421	6280.662899	6074.277352	5805.270254	5409.292291	6018.446413	5979.647678	4598.473838
11.51_909.5504m/z	909.5504057	11.50813333	neg													18780.42087	23659.84667	21065.88935	15293.05031	17748.77379	12869.14993	15729.92317	11698.93335	14057.00789	13904.65532	14336.95368	18227.85789	23468.44063	22222.0992	22489.52471	23086.38019	21054.45217	23037.05772	18260.56557
11.52_160.9833m/z	160.9833054	11.52178333	pos													2269.897728	2271.160996	2350.636686	2283.985428	2313.446737	2178.859203	2065.052527	2298.092127	2513.278886	2229.838961	2297.048943	2687.137846	2275.630371	2301.874639	2213.03539	2446.384759	2630.558859	2422.397155	2279.573138
11.52_553.8718m/z	553.8718088	11.52178333	pos													12042.20927	12081.00001	11644.66924	11739.80526	11314.99905	12178.53896	12095.62003	12306.14013	11855.56982	12590.07747	13307.86817	10886.75095	11574.52404	12354.1444	12310.88829	10824.88707	11682.47837	13601.12306	12399.78953
11.52_575.8846m/z	575.8845706	11.52178333	pos													11100.04252	6883.694957	10985.71221	11131.11005	7071.909101	11773.65803	9491.842382	10780.37763	11579.04084	11297.61882	9981.147598	6156.433328	10016.49046	8823.573772	11479.40697	8354.999893	10614.15596	10102.01445	10634.5168
11.53_361.0100m/z	361.0100236	11.52978333	neg													1961.580522	1811.389827	2010.00421	1636.697379	1735.694012	2098.238172	2325.733724	2039.421251	2190.535901	1709.737137	2175.096087	1732.927522	1691.591142	1872.242842	1698.93742	1680.281762	1316.869744	2249.701208	1886.238683
11.53_528.2728m/z	528.2728371	11.52978333	neg													1699.948667	2946.2443	2702.329378	872.4296691	1815.662894	1380.679511	612.1976221	2658.732601	3507.221099	1620.153757	1370.855079	3273.052669	2251.139313	1451.857429	1541.367991	1251.653176	1333.639636	913.7133204	1574.561355
11.53_669.0171m/z	669.0170814	11.52978333	neg													5278.963214	3828.07484	3360.405121	2619.304255	3369.1463	3024.126854	3366.866496	4219.337079	4526.559015	4904.168258	5244.420671	2133.941873	3406.630559	5585.338226	3834.116556	4607.738423	3547.883026	4423.501059	2374.770251
11.54_157.9936m/z	157.9936379	11.54288333	pos													4725.072551	5714.817318	5120.284709	5212.014736	4683.067431	4991.435286	5158.79137	5088.671994	4758.143012	5162.710212	5276.39054	5217.781118	5205.795163	5212.994595	5384.897362	5472.062807	5549.775276	5033.255414	5216.732499
11.54_529.3817m/z	529.3816999	11.54288333	pos													22539.60812	18959.76671	19296.73037	19042.57257	20338.15317	22240.16545	21735.63749	19906.72677	22061.3295	19769.72384	21729.15823	17291.26418	23578.14571	18185.85679	24004.47184	22126.4062	22798.21762	20753.88551	21235.49746
11.54_531.8594m/z	531.8593622	11.54288333	pos													15493.48343	11863.65336	13123.29054	12027.58492	13035.54089	13842.87654	12935.33906	13060.12376	14863.1471	14006.25	15340.07799	9822.003978	11798.94871	13089.64723	11431.30829	14107.44581	13061.14331	11554.97955	14638.73629
11.54_532.3603m/z	532.3603081	11.54288333	pos													8005.37829	5704.148287	5705.469435	6864.619955	6242.193373	6695.114859	6204.143301	7368.040367	6129.515183	6870.555972	8423.161764	5689.933368	5259.387731	5833.618558	5901.443892	6547.924672	5315.047619	5253.838041	7040.831243
11.54_551.3943m/z	551.3943075	11.54288333	pos													17756.52307	14629.67806	12836.49404	13143.06761	13380.48257	14414.64848	14860.49756	11387.54394	15327.89511	15301.95121	16738.75792	13518.98252	13428.33164	13781.56018	12302.71804	17000.57404	11205.90758	14298.17693	12851.59736
11.54_551.8967m/z	551.8966528	11.54288333	pos													6886.716445	6135.722461	5155.666046	5066.418417	5113.774096	5928.530961	4521.711611	5376.210172	6010.595663	6334.685512	6693.022839	6166.607143	6050.128566	4590.289231	6550.789027	5077.141215	4540.962979	6539.130453	5260.402871
11.55_1003.6728m/z	1003.672822	11.5504	neg													14281.6418	12248.69152	13176.07379	14916.21115	14333.05108	11786.94985	13474.15099	5133.867304	8754.399671	7234.878561	9423.940263	14778.42372	18840.46937	19842.56828	11928.29174	13744.63103	14042.3493	10705.19107	13880.66301
11.55_1093.2359m/z	1093.235924	11.5504	neg													6652.731086	5708.884944	6596.59014	7019.345295	6992.818094	6061.318486	7326.829041	6741.914778	7479.429058	7883.979842	5596.062411	6776.744715	5793.388043	5008.20192	5484.475735	6051.436891	6654.931215	3736.93113	4845.986487
11.55_1157.2494m/z	1157.249423	11.5504	neg													10135.67295	6085.797732	10374.83278	8456.042181	5830.267412	10724.65222	10510.9616	8664.119139	7993.183199	8788.855669	11119.13844	8684.165783	6777.254404	6669.800607	9368.188072	9202.522545	11427.50581	4507.428058	6770.089081
11.55_150.0005m/z	150.0005198	11.5504	neg													8327.854358	6588.926692	7682.712017	6875.728146	7123.079911	6168.747599	6719.194545	7407.389875	6945.545688	6355.026112	6933.17907	7478.395292	7626.6998	6931.087297	7774.883196	7625.353688	6930.604914	7123.433939	6405.656385
11.55_318.9821m/z	318.9820767	11.5504	neg													1393.916224	971.9218242	1058.195982	996.9184032	893.0104859	1397.695706	1134.898884	1130.719686	1235.344723	1179.804564	1601.403305	1308.499701	1112.186852	1083.469919	1291.478918	1453.033058	1013.694178	1038.19119	925.6487502
11.55_589.0105m/z	589.0105416	11.5504	neg													2406.343014	3084.578808	2155.610844	3355.353192	2750.806086	3116.121443	2204.397985	2856.99203	3040.166628	2935.097461	3070.008827	2700.424074	2702.231353	2469.352787	3344.511497	2114.085512	3035.282598	2736.177233	2253.441038
11.56_1005.6859m/z	1005.685925	11.56191667	pos													15316.69815	16192.28756	14164.99234	16247.74677	16550.84087	12922.37487	10836.55809	5595.239027	7903.783003	5271.497714	15202.07715	12812.47423	23524.75134	19451.36771	15520.63793	16409.17082	17444.57734	15541.85468	23023.50084
11.56_507.8700m/z	507.8699593	11.56191667	pos													6802.413227	7080.810837	5719.708596	7653.725185	7077.479661	6193.299281	6896.917618	7083.822469	7445.72777	6592.338736	6568.721489	6628.45661	5429.159107	6159.438764	7436.908625	7028.545606	7454.985145	7280.548029	6100.024181
11.56_529.8822m/z	529.8821728	11.56191667	pos													6724.117282	7140.00641	7816.094762	5710.3439	6238.158889	7349.461203	6884.180876	5703.311187	6214.940785	8181.173791	6385.235509	5277.272843	8179.614984	4930.58359	6461.302988	5898.526478	6478.65035	6356.791416	5609.172187
11.56_550.3862m/z	550.3862175	11.56191667	pos													5496.71293	5694.272256	6369.679893	4196.827645	5708.552042	5448.867219	5383.037661	5568.191637	5534.355405	4615.781355	5936.063282	5847.447708	6875.260458	4931.661771	5546.632823	6490.726688	5855.405307	5792.435302	5436.461451
11.56_816.6999m/z	816.699934	11.56191667	pos													64394.8792	72254.03704	81662.11837	87139.93133	69083.16803	74044.63138	71612.12046	62152.68365	67799.7686	53857.45023	56619.17751	61541.76125	59688.4802	71576.40154	72389.75345	58219.24465	83493.71227	107309.4122	91413.47984
11.57_558.3330m/z	558.3329795	11.57193333	neg													55536.22321	55855.96347	53502.05631	47016.54227	50067.61766	53675.62003	58987.2853	40840.34787	47001.36465	41187.82395	52017.63289	53457.26585	56652.71879	58142.16412	54214.58926	54254.75142	59795.85331	50609.29596	46809.98762
11.57_572.3727m/z	572.3726778	11.57193333	neg													1913.508682	1701.375311	1545.351082	1838.850784	1850.874951	1795.257106	2089.378059	1069.318348	1364.830929	1560.406633	1689.212372	2070.347344	1950.438427	1363.596843	1769.580817	1847.214056	2419.46651	1739.803508	1406.686541
11.57_585.3518m/z	585.3518184	11.57193333	neg													32369.67291	28114.34083	29718.11962	27095.38697	27882.46528	29700.66045	34187.61534	24960.45392	27918.0885	23427.67382	30227.94232	32367.60004	35370.79681	33280.00205	31815.07492	33555.14888	33792.23557	29302.34876	27720.19135
11.57_612.3882m/z	612.3882014	11.57193333	neg													15940.76025	14018.88362	13861.87585	14445.52931	14092.55929	15393.82406	18193.83884	11360.95979	13844.93322	12588.15086	15784.18999	15047.58881	16538.16017	17230.72779	16463.94693	15840.31571	17633.10737	12957.75779	14557.16139
11.57_626.3208m/z	626.3208216	11.57193333	neg													10971.36056	11988.1551	10780.19311	10311.6314	11173.40686	12557.55778	13697.33601	9712.561731	12229.19717	9126.18138	10361.83527	13230.02228	14438.49734	14621.62922	13636.40506	13651.34264	12211.71806	11799.51743	10353.78265
11.57_694.3072m/z	694.3072336	11.57193333	neg													6003.101143	6133.436027	5685.938857	4205.981134	4985.127568	4525.859087	5087.360476	2892.945574	5317.973278	3697.223484	3947.421032	5489.854299	5886.116301	5877.774123	6187.633515	5931.30917	7114.639485	3390.161583	5129.195403
11.57_704.3367m/z	704.3366781	11.57193333	neg													106786.575	97194.64439	93490.71595	96389.8687	93801.81261	100071.1332	116605.8758	84530.43677	92764.66937	84215.43008	102390.2064	108908.1041	113226.4198	118334.9358	106820.6353	105484.233	110107.9418	95793.38126	94549.94254
11.57_708.2801m/z	708.2801207	11.57193333	neg													14734.37666	14156.12235	14200.75943	13320.93007	14831.7368	15835.91346	17810.60848	13026.46559	14314.27899	11927.75984	15207.12454	14042.76785	16279.56161	16972.08977	17583.11024	14640.14967	15534.28323	14210.89928	12678.07542
11.57_716.2924m/z	716.2923891	11.57193333	neg													17133.16842	15453.84507	13107.62731	13336.60484	13892.28613	15751.32707	16976.65093	12097.5704	12892.12658	13655.21497	15623.27139	17921.1135	15279.51973	18424.43248	15854.37089	16077.65919	17363.11764	14769.24128	14586.45606
11.57_721.3264m/z	721.3264139	11.57193333	neg													4029.388695	2269.374274	2776.891434	2345.50448	2460.935995	3196.625861	5033.326652	1949.31966	2330.737388	2077.151964	3079.566162	2836.832822	3461.576554	3468.360018	3316.851061	3291.512422	3816.249429	3143.898043	2621.191134
11.57_772.3242m/z	772.3242139	11.57193333	neg													40443.29454	38910.23503	37306.5363	39859.20657	37742.79719	38146.41484	42599.86241	32595.33617	38647.84803	34365.55202	41633.42951	44138.81168	44304.34366	47595.87044	44568.99924	39859.27962	45314.17051	38844.19375	35867.30654
11.57_776.2677m/z	776.2676529	11.57193333	neg													6681.06258	5793.524077	6268.293361	5908.831476	6895.163355	5124.473685	7623.300401	3680.972834	6236.051141	5209.145857	5815.843958	7005.803131	5693.601808	8051.23098	6241.011668	7457.807903	7332.611101	4944.451455	5164.976198
11.57_784.2803m/z	784.2802645	11.57193333	neg													2819.981562	2302.529822	3183.339686	2804.590093	3245.355406	2155.87802	3473.550638	3146.619833	3686.53374	1786.170133	2937.54199	2651.227025	3242.619465	4679.896078	3715.603009	3384.971707	3574.662913	3304.839078	2386.416085
11.57_840.3111m/z	840.31108	11.57193333	neg													19284.85782	17665.57345	18376.07348	18425.79553	18993.54247	17130.02545	21820.30289	14074.89653	16573.06426	15924.3447	20568.2791	22351.64356	22467.547	22778.6764	19089.60571	18542.95734	21079.48085	17642.84196	17469.9716
11.57_908.2993m/z	908.2992579	11.57193333	neg													8895.816268	8289.358367	8092.727137	8738.487273	7258.530554	10012.66935	10602.47399	6375.000872	10127.74059	9506.598875	9532.890463	9939.29955	10919.58621	10930.89281	9592.266423	10084.69218	9774.64056	10325.22023	9621.583189
11.58_309.6635m/z	309.6635403	11.58355	pos													4299.798973	5850.176139	6540.51435	5133.125241	5054.628719	5731.779988	5447.805963	4340.71734	4636.381166	4604.402777	5818.394368	4711.08709	5812.815366	6058.023409	6332.870605	5497.42276	6302.294138	6533.361299	5388.008939
11.58_311.6629m/z	311.6629131	11.58355	pos													21986.28241	15311.00037	22133.89981	21137.43799	21212.2433	19742.01675	22802.03777	18291.1576	19022.49262	18392.74356	21800.56534	18684.94581	19053.77163	18587.24133	20578.87261	21489.14969	23392.01139	20869.72119	21770.52927
11.58_320.1668m/z	320.166832	11.58355	pos													19985.145	24953.73584	23426.03195	23812.34193	23323.52484	21340.11255	23688.36933	18352.02232	20183.96907	19612.23005	23502.05542	23870.34799	26430.12708	26929.80717	28199.78068	28608.62001	27678.94887	21673.37942	24333.82911
11.58_320.6685m/z	320.6685299	11.58355	pos													6174.541176	5977.916282	7159.528646	6274.557544	5291.546632	5177.164085	7895.90058	4954.515718	4894.319257	5737.567871	5069.969186	6162.312399	6787.194725	7297.823001	6808.729644	7241.913269	8390.959468	6629.057989	7555.785684
11.58_331.6748m/z	331.6748042	11.58355	pos													67302.52035	62807.67835	70066.2044	71744.93402	64630.42314	66349.43169	76796.40801	57482.37368	63090.56923	55144.15138	70685.46445	66906.02648	67598.48791	72368.17756	76550.04199	78624.02698	84093.32703	74137.18813	69719.77108
11.58_488.3353m/z	488.3352945	11.58355	pos													6683.344593	5486.742615	7992.736416	5787.418589	8146.912286	7882.065142	8192.803588	6293.023487	6204.580011	7364.135672	6095.459867	6396.244063	6010.76733	6984.806896	5276.640384	8618.892469	7177.735804	6781.401852	5960.741618
11.58_507.3685m/z	507.3685186	11.58355	pos													16158.06136	17043.81186	17487.33009	17271.78085	13967.11986	17307.82883	17493.45375	15788.68008	14577.52581	17166.25624	16617.0969	16803.91056	13951.28049	18193.59728	15375.47722	19023.72328	18211.87438	16304.37475	12805.17891
11.58_509.8466m/z	509.8466107	11.58355	pos													14355.40845	14352.26545	12594.13085	15111.37689	13143.95354	14807.16944	14806.5542	15989.18182	14215.987	13576.05007	17053.24933	12835.80515	12745.4531	14065.42622	13588.32309	17853.01549	13494.02462	12320.39987	14112.87724
11.58_526.3716n	527.3788792	11.58355	pos													56032.2512	51938.32708	59647.54551	54857.3726	53560.30087	53164.30092	62637.56922	43918.82895	50309.67373	44448.98866	60134.42747	55395.04666	56421.67741	60493.07257	58936.80007	59966.785	62898.0589	54279.3779	55015.01857
11.58_551.3317m/z	551.3317188	11.58355	pos													4907.634699	4457.392931	7521.217565	5559.225903	3855.271915	5221.854275	5593.645798	3813.476618	5203.761926	3160.895073	6542.041863	3250.784539	5851.653814	7218.655033	6699.572948	6112.478148	6682.752386	7752.389025	6237.09671
11.58_552.8319m/z	552.831938	11.58355	pos													30724.86151	20737.84623	29170.08795	28738.16725	25376.41015	26487.2149	38042.78848	23472.61008	23399.12073	16230.34508	29934.06195	20718.34629	23818.33364	30629.09061	32701.89192	30496.94552	35590.04094	23669.06984	33195.32561
11.58_626.2960m/z	626.295952	11.58355	pos													19397.38654	13926.42202	18395.96703	18320.91709	15741.65965	17240.85856	16888.64463	16097.01791	14714.0226	14374.19722	19072.70997	10346.28741	13564.79284	14755.99802	17236.29586	17348.70382	20983.50875	18512.83347	20397.26294
11.58_654.9784n	693.9303591	11.58355	pos													13813.41862	9571.779822	15508.03115	7144.732186	11950.67595	16218.40914	12271.13647	13786.40666	13970.49155	11600.80498	10301.26906	11714.70343	12409.16545	24491.50029	14131.88233	23516.46379	26915.03807	20126.88365	9099.58922
11.58_814.0102m/z	814.0101553	11.58355	pos													6774.31022	4389.512208	5199.759238	6003.633826	5764.332492	6122.409114	8144.865146	2583.125837	2349.016184	2171.451251	8149.993756	1284.677899	3318.364714	7237.600707	8579.360327	5828.870133	7440.911216	7814.226091	4872.30082
11.59_238.9941m/z	238.9941378	11.59396667	neg													1982.015137	2038.72969	1926.181494	2001.466302	1983.481383	1917.714172	2126.223833	1997.286465	1898.377353	1935.70638	2133.320346	1713.469565	1992.734863	2167.818697	1902.778753	1992.782224	2163.43876	1917.683845	1860.12977
11.59_542.0184n	541.0110876	11.59396667	neg													12943.63895	13849.47882	12634.96815	13510.72094	13660.89711	15006.53222	14514.3573	13969.93612	12765.70911	13075.02589	15180.88727	12065.28247	14245.15358	13834.69274	12525.80422	15250.87028	12356.45001	15094.13196	12588.80497
11.59_605.0043m/z	605.0043411	11.59396667	neg													3502.808049	4506.879796	3434.057425	3654.176664	3970.888069	3683.585357	3121.961676	3522.045754	4109.296435	3577.482093	2753.090381	3975.699174	3145.23103	3709.837751	3902.515696	2812.527205	3312.435799	3058.506192	2488.95092
11.60_463.8436m/z	463.8436361	11.604	pos													8011.433843	5822.705541	6388.160542	6920.429625	6773.647034	6469.692176	6418.210604	7576.871479	6835.415339	5252.657836	8029.150004	4981.945118	4979.36093	5223.807293	6811.406333	7293.677823	6244.413139	7274.369412	4445.650177
11.60_485.3550m/z	485.3549642	11.604	pos													15866.28751	11910.89807	15208.72679	12442.9805	13581.68454	14304.7907	12092.69054	13029.98162	13471.87013	15317.31547	17551.40992	16414.53201	15529.86619	13208.42672	14186.49594	14399.41673	12522.3412	13345.55539	11982.34263
11.60_485.8576m/z	485.8575792	11.604	pos													5604.998433	5535.750281	7507.504345	6329.367416	7785.492039	4313.954156	6671.812923	7274.542036	5402.058608	6526.287277	6591.063347	6053.527046	5186.184573	5940.925482	7969.884143	5625.575527	5710.486244	7096.849961	5440.92367
11.60_487.8332m/z	487.8332365	11.604	pos													18810.92722	13085.89253	14511.11387	15003.21455	14357.84717	16914.59883	14566.1137	16186.23943	15705.74706	17850.71285	17802.30081	13968.903	13257.58835	16905.19992	16404.87236	16844.99232	15126.58018	17382.27145	14702.53957
11.60_675.4509m/z	675.4508646	11.604	pos													10365.39277	10638.94355	7144.152273	10136.3153	10863.15634	10525.26483	10523.92457	12402.98788	9647.252151	10373.19455	13538.42888	12185.2077	948.8991918	4744.931759	815.9857223	913.1838212	4737.014172	5724.484633	8810.740312
11.62_188.9782m/z	188.9781593	11.62495	pos													18743.57069	21579.37674	20682.67026	20354.42427	20079.3862	19975.22996	19547.94059	19983.45379	20135.79084	20289.72348	20428.79173	22173.27798	21316.44464	20675.81441	22015.66188	22488.79204	21647.95801	21426.78464	20076.7332
11.62_415.0022m/z	415.0021802	11.61525	neg													1325.745694	1725.958616	1026.274261	1060.686992	973.2642804	1495.434824	1259.433691	1391.017747	1794.077988	1187.841124	886.4150701	1377.936504	1313.449189	940.3191983	1439.20317	1345.974885	1219.61318	1710.524125	1434.673609
11.62_454.8288m/z	454.8288266	11.62495	pos													3017.125066	1767.909186	2791.62805	2585.760785	2160.734021	772.2487503	2780.701391	3854.990941	2422.050845	3538.579014	3256.880108	3678.624202	2049.90052	3157.915776	2409.267104	2060.853654	1712.288442	3185.94157	1918.009673
11.62_465.8198m/z	465.819842	11.62495	pos													18233.61273	14251.60365	16687.96683	20780.28762	13616.18918	17963.43953	16547.01702	17053.61963	17097.29042	16987.68214	19075.17917	18051.79744	15445.0158	18885.13511	19403.88277	18599.55045	18978.70132	15529.20595	17700.66339
11.62_717.1492m/z	717.1491886	11.61525	neg													1898.113586	1132.856636	1818.499717	1753.472019	2260.215919	1448.114387	1744.662815	1700.363759	1282.13884	829.1626325	1810.508284	2168.411562	2461.264174	2640.023566	2284.945741	2881.859053	2431.759702	1337.117141	1055.47596
11.62_733.0289m/z	733.0289105	11.61525	neg													4310.632715	4595.283074	3741.276138	4153.869388	4677.782857	4888.221549	4398.50211	3340.060475	5141.565913	4374.594816	3815.717722	2109.442372	5277.921953	5100.528474	4857.500547	4726.618019	5344.262526	3294.705174	3081.368923
11.64_305.0026m/z	305.0026307	11.63653333	neg													1333.742247	1465.336564	1467.749634	1540.023642	1456.850087	1205.048266	1668.183801	1637.771895	1472.280733	1621.689864	1438.543348	1353.877271	1450.830972	1597.039078	1301.732455	1613.059287	1401.262429	1180.396814	1271.329738
11.64_619.0187m/z	619.0186703	11.63653333	neg													2725.323406	3672.449358	3650.059679	2872.306954	3842.950033	3181.798921	4269.342071	3789.848864	3504.768255	3562.37247	3488.411497	3244.287489	3816.057561	4626.173558	3880.453875	3422.136879	3461.39434	3956.179969	3185.043459
11.65_423.2953n	441.3291624	11.64553333	pos													23438.74247	21750.52614	22562.50719	22634.85099	19158.47668	23378.93336	21735.08343	24218.10218	23708.77735	22926.02933	26294.09316	21699.61787	19998.87721	20238.50396	21655.17097	23334.17369	20681.77191	20715.52755	21116.98047
11.65_441.8307m/z	441.8307071	11.64553333	pos													6006.315028	7948.754775	7217.752396	7743.763561	7012.463451	6130.246476	7248.837476	9037.123062	7927.73098	9041.378147	8534.919016	7829.160308	7145.586697	5799.79905	6549.672849	6371.999678	7938.556924	7483.60459	6635.036957
11.65_443.8064m/z	443.8064478	11.64553333	pos													25191.81808	22388.51232	27082.22683	24856.99437	24973.22296	27535.7274	28594.54026	24970.77691	27013.62131	26326.52321	29682.44561	30840.4919	24314.21783	24898.74618	26984.7128	29974.98759	29559.86645	28059.7613	27478.91558
11.65_444.3088m/z	444.3087647	11.64553333	pos													9511.070488	11361.45669	11345.69372	9628.144534	9020.561496	12275.58601	10125.72218	10761.421	11592.5135	9757.81615	10225.46703	10098.85912	10307.73773	9095.12318	11490.27648	12516.06002	10783.51525	12365.7055	11452.58437
11.65_482.4046m/z	482.4045891	11.64553333	pos													11566.26261	10848.87411	10596.38264	10940.51362	10941.48728	10355.55483	10814.55764	12219.58312	10494.89555	11642.60454	11443.04972	11033.274	10509.17005	11307.76305	11350.58946	12343.92315	10694.54608	11236.23987	10160.024
11.66_419.0320m/z	419.0320106	11.65745	neg													1891.674508	1968.985399	1751.968682	1407.203058	1782.400333	1816.632506	1842.20855	1396.83877	1905.731577	1976.703638	1696.165511	1721.034109	1472.907015	1798.31469	1789.337148	1532.786455	1459.819362	1417.832744	1493.183006
11.67_318.1955m/z	318.1955152	11.66696667	pos													4543.220098	3857.92535	3908.677376	4437.681371	4162.482525	3115.252183	3730.708482	4887.92236	3837.946904	4435.478626	4010.187235	3368.267111	3598.993368	4161.043563	4576.100604	3504.852076	4103.208432	4220.590638	3191.76442
11.67_357.8025m/z	357.8025079	11.66696667	pos													711.2713845	907.0514078	888.3706284	746.5516493	748.5091796	769.1424507	977.7933873	1352.333208	1899.952183	1993.327759	1440.013717	192.5580236	269.3897089	0.000297236	260.4885946	1325.539026	1864.663205	1377.586605	638.5770394
11.67_400.2826m/z	400.2825877	11.66696667	pos													9482.944957	8716.926378	8980.77556	8131.762064	8266.572999	9741.685274	7877.209087	10486.1131	8514.278515	8914.185963	7873.958449	9692.570479	7967.243881	6312.706196	7439.346368	7967.360019	9607.665571	11295.114	9522.501917
11.67_401.2815n	419.3153479	11.66696667	pos													56051.21879	48803.90926	53994.54017	54867.97257	51486.90655	53116.78858	51862.62867	57158.78611	54949.77449	52983.43282	55908.81876	50676.63916	46164.70177	47544.99407	50387.78916	54479.62714	46211.81838	56644.50034	51914.07782
11.67_419.8175m/z	419.8174519	11.66696667	pos													8996.826566	6848.503292	7818.207345	7427.711689	6369.098164	8071.00924	8860.175114	8326.401253	7669.083252	7781.207751	7617.780423	6459.309712	6466.816829	6090.086821	8083.04826	7849.72464	8603.988521	7391.495584	6317.719383
11.67_421.7932m/z	421.7932112	11.66696667	pos													38903.62069	31346.24445	32168.72126	36210.78199	33059.447	35784.92235	37359.79368	40754.96623	38712.51549	36894.69125	40166.61625	35723.81186	35222.46849	36914.0438	40302.30231	41389.84547	42866.91957	36973.27106	37187.38231
11.67_422.2954m/z	422.2954407	11.66696667	pos													14238.22593	14019.99816	13619.29558	12583.03642	11904.86706	14138.17627	13567.3222	11984.73579	15677.43351	13501.75858	12988.05744	11027.33047	9773.778342	10195.29626	11059.09352	12202.97552	10492.26492	15237.28589	13132.48652
11.67_720.5853m/z	720.5852952	11.66696667	pos													37022.63655	50552.44085	34666.83976	18700.11462	17158.44001	28974.94187	38486.2327	45027.21886	51616.18908	46423.65182	44921.99496	49164.29447	58455.54761	57342.67719	64998.57189	67525.80296	52453.59539	50889.20619	29633.48539
11.68_321.2198m/z	321.2197763	11.67871667	neg													1491.924754	1119.333478	1575.145355	1432.391122	1889.387752	2327.056594	1437.642414	1717.736527	1222.35222	1784.534186	1438.158366	1321.864453	1255.818841	1425.933336	996.7150357	884.1995616	1294.012756	1257.303684	872.1850301
11.68_401.1714m/z	401.1713917	11.67871667	neg													1382.30826	1221.971096	1026.021751	1110.502811	1394.638424	1367.446752	961.4251173	1554.633635	1092.9864	1143.028954	1177.528178	1114.136132	1314.655637	1360.645488	1338.239546	1145.289594	1183.593023	1370.00999	1288.563425
11.68_465.0172m/z	465.0171767	11.67871667	neg													1935.608636	2416.078219	2023.938676	2295.971684	1935.232136	1405.238146	2170.257424	1817.161516	1949.605055	2661.348691	1597.596945	1544.057172	1761.005287	1696.973718	2099.666424	1249.737819	1790.39208	1785.038162	1149.659434
11.68_485.0063m/z	485.0062769	11.67871667	neg													3130.967584	3302.143212	2686.911249	2662.313702	3345.37676	2907.639652	3327.285049	3677.901027	2905.390681	3301.05321	3618.861823	3326.545715	2854.19495	2550.519969	2958.330979	2717.120248	3344.963836	2562.560764	2630.919309
11.68_789.1117m/z	789.1116754	11.67871667	neg													13004.87878	9375.965207	9850.096168	10332.92458	9542.799798	11103.58696	8948.677665	9514.177209	10516.78577	9658.658086	9493.198306	11387.34092	11511.27902	10411.94609	12679.53669	11130.23056	11019.5396	11475.92679	10603.66541
11.69_296.6841m/z	296.6841188	11.68771667	pos													1261.196386	1439.312459	951.8944538	911.4390825	1120.188218	1406.925969	1469.157685	1868.488626	1168.281375	1171.723389	1166.449168	989.6903958	984.5745135	1191.336977	858.6427558	673.8055984	1582.152353	591.2862807	1501.519668
11.69_399.7804m/z	399.7803687	11.68771667	pos													23281.38064	19133.12089	19375.93128	22561.38073	22491.50245	20739.70273	19944.44288	21016.93725	21561.78763	23368.03875	21510.8443	20377.28669	18871.019	17018.68132	21612.12392	22496.68384	21449.30191	21147.02541	21754.62456
11.70_222.9989m/z	222.9989257	11.69991667	neg													1372.830151	1262.854345	1251.185419	1373.396697	1319.744316	1231.083584	1265.16713	1502.98295	1318.261063	1322.983697	1503.667016	1362.701154	1120.865104	1304.452048	1385.343149	1410.979965	1284.54643	1266.783497	1060.536864
11.70_241.1805m/z	241.1804506	11.69991667	neg													999.0893963	536.4578439	799.5059798	980.1844803	938.8486391	991.8818106	1000.36153	675.2623639	776.4214162	820.1060179	976.507624	998.2998924	1131.698935	1132.688829	1237.217352	1165.296485	932.8254616	908.8880444	945.4280362
11.70_371.2913m/z	371.2912737	11.69991667	neg													1360.998032	867.1223595	1114.869661	1230.062214	1391.522225	1405.056841	1473.23367	1420.291646	1475.228181	1342.839845	1523.441634	1295.919371	1224.437614	1315.8885	1318.106423	1192.892171	1540.867827	1705.936416	1040.41457
11.70_938.5347m/z	938.5346642	11.69991667	neg													31550.6554	26068.94672	23473.63943	14582.52857	18586.74353	16040.73315	17939.87384	17607.08295	16102.58938	15608.84466	17034.15708	12318.0829	18724.7918	31340.02217	435.1819595	22731.4719	19088.86093	31871.03808	12968.87671
11.71_261.1303m/z	261.1303147	11.7083	pos													3407.070669	3281.112545	3584.332431	3614.031367	3360.459056	3342.519892	3409.832809	3578.084523	3723.573308	3684.444598	3702.65154	3606.273298	4064.60231	3503.708214	3275.213136	3595.893886	3573.971967	3821.706093	3554.786041
11.71_296.1824m/z	296.1824342	11.7083	pos													4794.465571	4324.714991	5022.202486	5466.666977	5727.810552	6164.551276	5916.174047	6282.143927	5255.194335	5688.96743	5533.37597	4995.974565	4772.46234	4940.079867	5935.327861	5414.099444	5619.909092	5974.629727	4559.310174
11.71_325.9367m/z	325.9366775	11.7083	pos													11555.51154	8136.720215	12497.80177	12474.49721	12003.78186	10515.00287	12264.53683	13299.04927	11444.03365	10906.70183	11527.22248	8015.027123	7446.643189	8391.285105	10225.73762	12812.4498	12176.34849	12553.34068	12256.86906
11.72_316.9860m/z	316.9860256	11.7209	neg													1000.334762	960.7713835	733.0732994	1066.840541	524.522064	1053.356473	787.2058138	912.4449096	916.0061378	981.5006801	1047.847696	854.3755194	876.5942365	877.0634177	943.8521037	1012.343191	911.0423525	1054.872667	989.9918647
11.73_286.9057m/z	286.905716	11.72955	pos													6566.969984	5542.393352	7259.609944	7589.378449	6718.840507	5982.863577	6182.635039	6688.295175	6669.129949	7427.501027	7517.277048	5788.35595	4750.037193	5676.620624	5304.840623	6882.385142	7236.768788	7144.950784	6646.607342
11.74_305.0226m/z	305.0226157	11.74108333	neg													2448.519541	2440.977565	2105.185459	2278.720146	2414.60499	2441.643765	2425.073214	2215.101735	2391.753585	2247.556163	2567.292706	2305.742122	2208.097806	2026.124239	2162.391795	2526.732781	2274.39879	2196.330116	1769.950079
11.74_342.8724m/z	342.8723738	11.74108333	neg													3627.515183	3785.818234	3473.880432	4018.183491	3990.724147	4328.390004	4351.806105	4195.212694	4313.233174	4182.290984	4447.100338	3749.408619	4505.492148	4268.884217	4241.295277	4519.645988	3613.57357	4257.029411	3908.294243
11.74_398.2367m/z	398.2366779	11.74108333	neg													11636.76706	12080.31165	11015.93579	9573.113451	18163.56524	16361.34327	10031.66659	29091.94229	18762.54254	13052.77709	11852.56806	8673.721568	9754.442757	8550.651986	9174.03015	12264.26745	9557.519589	12458.82675	10113.16463
11.74_398.8860m/z	398.8859576	11.74108333	neg													16026.28904	14752.7256	14874.38745	15906.85399	15399.29859	15943.31456	17543.10649	17270.77991	16451.13063	17442.10773	16748.92664	16045.5421	17854.47073	17099.46192	17680.73389	18052.21219	16051.21475	17380.95648	14491.38624
11.75_326.3047m/z	326.3047196	11.74868333	pos													3352.914388	2194.6381	3575.206234	3654.277199	2857.86189	2741.375474	2551.812295	3258.566089	3332.413017	2954.177365	3883.007355	2926.867958	1804.913469	2697.333102	3161.607425	3738.686532	3430.132091	3667.601431	3200.450216
11.75_354.3320n	377.3239355	11.74868333	pos													7219.027761	4857.814339	7710.023245	6611.748666	6941.002435	6874.055145	7336.914704	8538.494957	6538.531696	6529.86552	6295.876013	6723.869704	4341.993178	5589.944948	4807.516699	6509.667763	7283.447035	5605.391775	6244.80134
11.75_670.4854n	688.5191843	11.74868333	pos													1017187.638	887833.8782	903491.444	922252.6492	890561.4165	916398.2293	904073.9639	1043479.773	977747.4131	973671.1662	944798.5879	954350.6412	924124.7096	910724.6556	979144.684	978772.3672	953874.4711	883373.0456	856653.8017
11.75_716.5520m/z	716.5519917	11.74868333	pos													12833.66484	7021.534019	9637.509237	5524.197228	6525.68826	9018.110742	6000.213376	12216.04525	10122.62301	9805.157355	6686.589213	5083.833493	2101.168369	18193.90695	12151.76871	16435.62272	10969.24845	6936.037575	8256.036114
11.76_318.9820m/z	318.9820116	11.76273333	neg													999.4626311	930.0844177	935.0943622	1032.072019	933.9985582	845.3348967	1222.164183	1107.517257	1012.348024	1144.197562	821.5221199	1060.417809	691.3556187	931.7927549	1129.218838	1175.267073	880.2545973	1044.408177	808.0804421
11.76_356.9987m/z	356.9986637	11.76273333	neg													2631.341193	3382.32523	3235.071892	3072.762262	3377.901984	3312.765483	3112.715009	3276.953762	3361.983046	3252.594734	3249.973349	3105.400695	2862.938127	3032.372546	3137.972553	3356.29542	3241.141559	3019.183492	2397.792582
11.76_417.0162m/z	417.0161661	11.76273333	neg													4669.317906	6198.282847	4633.615273	5741.175804	5752.170344	4916.799449	6501.319341	5752.582173	5707.541259	6954.172203	6670.632396	5228.261367	5502.37104	5288.953161	5478.088164	5564.751506	5416.282746	6400.419991	5388.871009
11.76_564.2396m/z	564.2395868	11.76273333	neg													2237.797225	2370.248877	2365.712951	2485.693869	3579.944394	3182.914147	2919.535764	3084.985383	3681.429691	1941.079858	2977.35171	3961.562794	3250.146438	2852.036802	2882.97287	3283.923171	3160.834021	2527.517528	2663.213198
11.76_662.3655m/z	662.3655322	11.76273333	neg													4403.158883	7922.419963	6356.814807	3549.937136	6446.674028	3469.735636	4428.829487	2043.132933	2056.57181	3215.301515	4170.875152	3378.922516	5784.644208	4155.573568	3766.18095	4203.958336	4427.429045	3733.76078	4137.625645
11.77_302.6540m/z	302.6540086	11.76966667	pos													4414.345604	3974.040191	4778.324021	4847.420007	5005.578501	4572.041987	5008.075051	5078.586649	4907.772338	2739.285104	4809.034543	5036.084523	4428.495905	5232.253983	4237.430594	3879.271552	4660.076256	3596.732074	3917.46113
11.77_408.3515m/z	408.3514777	11.76966667	pos													59075.5197	72270.18613	95531.05015	89521.79286	75158.6567	76680.92403	78840.45709	71849.52953	65295.57635	64352.05293	58387.2889	70367.489	64715.73973	78838.90854	82372.39562	83842.40002	81134.57016	100326.4834	99445.79948
11.77_626.4593n	644.4931428	11.76966667	pos													2062108.566	1880822.547	1935401.163	1991990.777	1897910.779	1942251.983	1969584.395	2123666.862	2036410.7	2091626.295	2036999.267	1983863.218	1966827.037	1958776.178	2071619.203	2075668.686	1975273.917	1885619.451	1829705.835
11.78_532.3019m/z	532.3018902	11.78411667	neg													16365.54636	13771.69729	14002.73576	18377.53372	18470.30987	18009.73455	18318.96173	18052.3211	20103.56163	12442.49685	15306.09516	25923.26418	22143.99708	18590.22349	16666.09387	17131.48385	15517.5198	16456.44248	16347.81934
11.78_549.0160m/z	549.0159593	11.78411667	neg													5203.831268	5770.060064	5107.251064	5838.624065	5710.391116	5964.697172	5012.085935	5335.963445	6063.344089	6541.369613	5059.369559	5311.090684	4985.300131	5431.338661	4862.11775	6232.696562	4692.990117	5635.382411	5319.792006
11.78_600.2895m/z	600.2894882	11.78411667	neg													4588.483233	3876.400985	4630.53701	4410.974722	5189.04821	4313.460396	6758.543347	5142.546791	4668.157729	3340.0157	5113.370432	7381.783781	5407.134299	5995.610913	4416.722266	5579.39006	4845.92331	3957.18633	4646.255353
11.78_668.2772m/z	668.2771502	11.78411667	neg													1920.027689	1334.391935	1504.065654	1733.578243	2138.105715	1368.907712	2257.785013	2591.293724	2497.178772	713.884601	1198.791613	3858.223308	2533.209479	1918.555967	1917.92795	2360.121065	1467.199792	2205.037168	1574.970024
11.79_328.3024m/z	328.3024406	11.78948333	pos													8103.526079	12096.70573	9852.389221	4762.57692	16473.59627	3617.681542	10909.09157	0.000297236	1068.629724	5462.733621	4445.386897	3283.246742	15462.90507	26462.59936	18971.10699	20106.25193	14443.02065	8108.454204	6216.122003
11.79_401.3447m/z	401.3447299	11.78948333	pos													3756.143499	6434.299659	6517.758949	4777.940481	6404.543112	5929.961586	4925.240033	5811.331796	5397.342226	3917.656166	4704.793292	7273.427849	4554.459699	6679.358596	6418.56551	8821.836423	7429.672899	5642.965347	6655.401005
11.79_541.4160n	559.4498329	11.78948333	pos													10646.61135	7241.254622	10737.6112	9794.936865	11864.31672	10744.35371	10708.77452	9266.148604	10590.67301	11906.32799	10788.41212	9307.345441	9622.080775	9733.066782	9614.99246	10521.04418	9845.962083	9165.761814	9353.511555
11.81_204.9414m/z	204.94144	11.80528333	neg													2333.618962	2192.348653	1994.21502	2304.488056	2530.786596	2260.044406	2587.213703	2703.202345	2486.773206	2833.72025	2820.614331	3150.922578	3269.225638	3207.032681	2624.177938	2564.765434	2253.918208	2506.582742	2285.032472
11.81_206.9876m/z	206.9875614	11.80528333	neg													1290.958594	1312.281122	1378.378412	1350.483143	1458.577993	1578.327521	1489.727125	1536.426967	1513.31278	1453.665882	1598.888753	1315.058874	1357.881178	1472.176197	1491.787396	1439.095662	1398.585424	1415.134166	1338.808394
11.81_435.0076m/z	435.0076263	11.80528333	neg													8217.896645	8291.577323	7123.857071	7919.826254	8275.679566	8666.883714	7618.940069	8700.035208	8454.702135	8050.740939	8247.637025	9281.865005	7032.201514	8444.096381	7296.411922	8304.544681	7460.989917	7906.171826	6909.409121
11.81_471.3973m/z	471.3973045	11.80926667	pos													4709.121236	3788.681985	4370.748199	3660.580542	4148.525326	5138.944225	4331.715848	5190.931262	4320.180922	3707.023085	4135.593994	4768.112165	3653.484752	4127.280713	3596.896731	3253.184968	3784.097113	4336.84776	5491.378719
11.81_538.4072n	556.440982	11.80926667	pos													4078072.748	3743770.086	3983473.393	4034541.962	3989399.747	4057176.67	4023750.401	4172510.071	4044428.213	4170669.176	4137845.903	3915178.405	3875265.952	3933425.796	4078396.285	4094828.871	3822722.433	3809495.109	3797893.851
11.81_689.1177m/z	689.1177429	11.80528333	neg													22164.38739	14617.06243	15979.47184	15806.37355	15997.40152	16456.56267	15718.16747	15792.81459	16336.8192	15948.55621	16523.76666	19921.89432	17481.12272	17552.70304	15538.80537	19909.32411	17218.70366	18507.51136	14511.85459
11.83_142.9909m/z	142.9908959	11.82918333	pos													2264.185233	2765.126143	2800.786151	2539.493909	2372.456417	2525.710718	2195.251384	2256.910324	2401.721066	2572.177332	2444.779811	2427.738989	2295.965418	2514.477891	2567.153388	2464.520645	2312.692562	2626.63916	2412.671171
11.83_283.1745m/z	283.1744504	11.82918333	pos													15452.71515	13075.91525	16136.86549	15282.20447	15175.75215	16370.48431	15567.11155	15491.73754	14083.12771	15388.90364	15472.53866	13730.01264	12656.27815	15436.82392	15851.55575	16226.21135	14324.86327	14698.66227	14085.04256
11.83_327.2006m/z	327.2005786	11.82918333	pos													10884.3742	9194.753599	11642.42193	11819.15351	11828.53963	13246.25225	11452.86893	12910.69151	12519.52521	11846.46616	11596.30278	12159.21186	10227.71827	12158.14554	11368.38288	11158.45786	11454.22519	12419.83584	11443.72801
11.83_386.9897m/z	386.9896815	11.82706667	neg													3450.777026	3015.851268	3172.965577	1867.991167	1991.077376	3462.367323	3345.643177	2627.24107	3551.658731	2599.311027	2986.70288	3367.185558	3386.683326	3260.979636	2886.57599	2975.085897	3188.14699	3915.431683	2360.405091
11.83_494.3811n	512.4149722	11.82918333	pos													4792030.023	4422590.863	4749387.429	4737065.861	4714155.108	4724529.226	4743833.774	4819192.568	4710959.714	4909890.519	4824842.789	4602088.596	4580728.241	4723677.058	4832726.162	4854982.618	4503514.09	4559726.521	4529128.941
11.83_540.4461m/z	540.4460869	11.82918333	pos													30760.63778	30811.12477	37091.41106	29919.12665	30295.16112	32649.4827	29723.96876	31276.40638	31968.28531	32069.09372	30589.8734	29429.44183	29923.35834	32810.06931	36327.11527	31825.73901	31752.4832	34953.80798	28093.94804
11.83_584.4719m/z	584.4718608	11.82918333	pos													14543.40258	12689.01504	20433.98984	16889.06146	16600.11571	16557.4417	17054.96862	17491.84575	20077.88098	17460.82331	15893.16876	11427.58273	11496.92945	18400.75667	16091.12639	13740.72504	13265.3205	18303.64134	17733.32092
11.83_832.5104m/z	832.5103818	11.82706667	neg													225451.6905	234922.8573	216028.9598	211868.3509	211329.9811	199418.0047	219261.2872	223669.411	243467.3471	265140.1685	228649.1573	231969.2386	108237.461	231742.374	242490.8752	261322.1215	228254.021	225496.5115	213616.8584
11.83_941.5567n	986.5348689	11.82706667	neg													390247.7247	279130.7105	372916.6971	366924.3875	388452.7787	411388.3968	343749.1238	472606.1503	436671.9176	492607.9426	501037.9826	390646.9556	95734.69759	284386.0125	373542.7839	382930.7306	457619.8367	447804.2429	364519.5649
11.85_151.0962m/z	151.096223	11.85016667	pos													28425.35209	25816.19974	28073.99517	28505.42751	27483.12388	27703.71101	27981.58531	27658.41991	28380.5359	28403.83528	27975.0287	26785.11154	26293.08963	27655.83952	28252.06351	28536.41666	26862.93238	29084.48449	27110.78459
11.85_195.1224m/z	195.1223501	11.85016667	pos													35157.25285	30757.8148	35135.70773	35969.86509	33125.55323	36027.87551	34769.75562	34469.88101	35650.80471	33494.29783	34719.44454	32510.00239	31447.95354	35567.11923	37286.9025	35335.25504	34705.98579	35142.81732	33768.45068
11.85_239.1483m/z	239.1483263	11.85016667	pos													17351.02383	16340.96702	17870.18994	17918.6511	17869.51934	16598.84024	17108.771	19205.55315	18544.16326	17278.40711	17107.70908	17372.40889	15920.46663	17351.64941	17649.89085	18159.87513	16857.15742	18298.02839	17217.45125
11.85_265.1477m/z	265.1477089	11.8477	neg													684.0732096	729.3709924	721.5533447	619.5439657	713.4960006	619.4784313	841.3875319	778.550257	724.4422434	715.4636236	748.9956332	884.3865287	745.4358296	798.4539289	901.600751	794.8916679	562.4006588	678.7224748	607.4933425
11.85_274.2501n	297.2393918	11.85016667	pos													173265.9058	120413.9228	173872.6029	188682.4552	171786.2687	175655.1586	175609.795	180393.97	181570.0448	179595.4768	189971.9676	137897.1101	132664.6947	140987.6073	153310.9195	169231.3446	168555.722	181520.5841	171061.5408
11.85_338.3161m/z	338.3160952	11.85016667	pos													7841.269735	6244.384556	7051.598106	7233.295438	7359.728598	8082.99633	6863.27807	7497.124135	7686.203803	7410.582769	7385.552239	6226.610618	7961.266478	7697.429632	7227.862776	7175.641035	6851.979833	7670.850587	6552.266832
11.85_343.2716m/z	343.271643	11.85016667	pos													6163.736607	8149.92239	5828.30249	4693.043691	5924.379074	5355.058446	5839.901876	4736.572664	5645.633688	5433.772771	6565.64263	7326.188772	7003.32144	7990.858687	5750.25963	4873.4404	5856.790148	6685.136376	5697.759461
11.85_406.3285n	429.3177616	11.85016667	pos													4925847.593	4443624.971	4929219.664	4871725.883	4720856.722	4842687.759	4900948.915	4893081.892	4789660.696	4933269.072	4880142.359	4586001.148	4657733.339	4789966.903	4949678.126	4934064.367	4651346.932	4800516.817	4676178.058
11.85_408.3346n	431.3239454	11.85016667	pos													73328.41765	64857.6044	70961.97473	73408.45672	70117.1227	71421.78902	71039.56545	68671.25592	68067.97027	73001.26213	69366.73661	64338.28497	65963.27896	68649.27267	70791.49366	69926.03121	70121.80085	68016.40947	65159.62388
11.85_450.3548n	468.3886688	11.85016667	pos													4964382.418	4555550.956	4967036.564	4943576.116	4857807.365	4912761.196	4903752.529	4935203.471	4855694.022	4969300.078	4930479.813	4721048.24	4723801.519	4852672.463	5000725.576	5019843.137	4702118.755	4764100.329	4723064.078
11.85_452.3933m/z	452.393326	11.85016667	pos													67396.35982	58925.02035	64075.88884	63303.60909	58369.57821	63154.50295	65369.87016	61683.69565	64581.21315	66240.33355	61768.34737	57322.92836	60439.22517	64767.36607	65086.23921	62904.32437	60312.99946	63819.21714	59318.89515
11.85_496.4197m/z	496.4196764	11.85016667	pos													90957.29464	83257.74935	86511.02981	85323.44099	92244.22248	87875.34874	85767.57952	88444.96888	95617.99705	89649.11064	86730.61925	84114.50794	82964.53144	93323.12946	93320.1505	90912.46745	83601.02922	91929.50257	86206.93819
11.87_224.8027m/z	224.8027387	11.86888333	neg													12282.63853	9160.253057	10071.34036	10430.12234	10129.70596	10121.87102	11002.73652	10835.04471	10736.19421	10029.75117	11306.99548	14037.14154	15058.74149	13242.84545	13118.44817	12566.4245	11296.867	12167.14003	10210.06151
11.87_234.1332m/z	234.1332146	11.87071667	pos													2757.480255	1938.833093	1991.675132	2124.038068	2175.361874	2055.291923	1989.213457	2101.868734	2067.943602	2350.018547	2079.24205	1582.665597	1473.556202	1728.423431	2332.847916	2635.349746	2270.112899	2489.845476	1670.163908
11.87_296.9973m/z	296.9972653	11.86888333	neg													14385.25843	14901.55645	15290.28327	16075.47817	15600.52945	14957.169	15879.78224	16244.50163	16000.41587	15961.29524	16536.82882	14471.52344	14045.70341	14957.80761	15734.68452	16107.88356	15381.27546	16022.48692	13660.81385
11.87_354.9312m/z	354.9312412	11.87071667	pos													220398.1375	224598.2203	227670.1956	231516.1052	218574.4502	223262.954	226783.3177	225483.8745	229154.67	223408.3611	224312.8477	222162.8524	223246.528	230729.8041	239757.1744	247104.4955	234994.5564	241421.0837	225925.437
11.87_362.3024n	380.3361979	11.87071667	pos													4091609.343	3640653.292	4079090.597	4104790.808	3922733.235	4012602.036	4052335.943	4008810.374	3918319.263	4080664.928	4066054.755	3778208.349	3870381.702	3956544.65	4077264.515	4112933.112	3934974.434	4038628.936	3940163.986
11.87_364.3087n	382.3425038	11.87071667	pos													44936.20985	41709.72491	46456.21736	45473.61196	44750.81133	44044.07796	45738.22936	44980.76551	41232.47862	49386.52685	44705.23318	38998.93296	41230.26256	45174.35378	44150.36543	44744.4741	41583.12112	47666.55971	44081.60218
11.87_408.3674m/z	408.3673643	11.87071667	pos													106826.3052	87414.02213	101517.0837	102300.7026	94872.15823	105047.6666	99033.70459	102817.5833	106271.189	108698.548	98720.31242	93441.41649	91515.93364	100228.0662	96080.02038	95706.64244	95659.61581	96626.25269	91551.69635
11.87_427.3756m/z	427.3756437	11.87071667	pos													4934.717802	5253.103642	6431.28125	6589.536563	5070.628697	6870.745202	5845.603581	5762.676906	5905.029131	6868.125753	6494.694374	3963.956296	4778.906028	5613.359933	5508.951802	6460.442565	6410.717975	6406.420543	5321.719654
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11.87_716.5232m/z	716.523225	11.86888333	neg													25439.36822	20069.74948	23407.86088	24860.89055	21194.06845	23551.3807	23622.97644	22471.95306	24374.08969	22850.91191	26217.80325	20616.96915	22016.74862	23804.26456	25694.83245	4889.929761	19495.10703	22812.16816	20648.9901
11.87_864.6100m/z	864.6099654	11.86888333	neg													71144.10126	71925.11057	43387.36225	44118.63924	56901.11512	58256.85101	53067.85343	53566.11691	57269.61145	70250.14244	71927.51265	84119.09462	103967.722	94929.56599	72246.50212	64529.28265	64759.63529	77208.40494	65443.12591
11.87_925.5055m/z	925.5054795	11.86888333	neg													8585.234141	6127.451955	7597.872376	9321.844578	9615.52164	12770.78046	10362.51675	13664.6971	9476.346728	11670.30403	13083.28395	13949.48458	12571.9067	11759.01333	7548.817949	10073.94274	11704.28697	11063.80387	5220.499682
11.89_261.1302m/z	261.130232	11.89153333	pos													5348.250925	4749.797508	4489.739327	5287.687417	4505.277014	4729.976111	4748.978202	4188.901079	4244.380207	4715.671334	4568.77119	3624.479113	4494.129126	5114.029071	5111.9293	4760.199537	4398.909879	5017.771004	4555.581539
11.89_282.2696m/z	282.2695756	11.89153333	pos													5808.689307	4887.560199	5641.390754	4580.127997	7764.497547	3150.835639	8536.681575	8300.316972	4426.470189	8436.651601	4743.419879	3699.649534	5087.641215	8669.362591	3157.264061	2962.730205	4095.302476	4298.252911	5446.547594
11.89_332.9979m/z	332.997909	11.89018333	neg													2426.010504	2756.717761	2437.710576	2190.22551	2483.254357	2599.321934	2454.128468	2428.546086	2455.564632	2453.850633	2376.355468	2377.827725	2079.040379	2440.968115	2386.883241	2749.568646	2383.783714	2501.635534	1893.146655
11.89_447.0264m/z	447.0264203	11.89018333	neg													2205.654049	3414.503024	2569.790963	2150.466629	2983.637404	3130.559237	3550.985775	3378.993009	2693.684255	2842.733494	2749.41532	2268.27013	2190.674656	2439.659298	2393.012819	2842.617301	2894.015513	2351.051264	2381.239108
11.91_291.2790n	330.2453851	11.91183333	pos													27386.11215	25795.48223	29774.74864	29974.05436	28517.45818	31291.08276	22363.80199	19907.61034	33559.64023	26323.97494	25782.64179	25315.89359	26310.51973	35074.50372	26124.92072	29447.70863	32386.9312	28891.89702	33558.07052
11.91_380.2420m/z	380.2419934	11.91175	neg													437.1668636	606.2661934	460.2771149	718.3936406	743.0915306	672.8241583	597.5038339	332.2042908	408.3734572	543.5906606	728.5490354	879.1418759	996.1817664	771.4261826	755.4776362	759.4310625	776.7232244	1092.867013	719.5338982
11.91_624.9431m/z	624.9430504	11.91183333	pos													5167.702431	5440.781703	4806.957974	4948.798462	1963.831483	4248.667847	3386.947544	3847.021495	4412.192855	5525.363291	2499.303581	1037.286328	3075.058828	4990.240161	2206.146596	3222.732276	5394.137535	4846.805699	5325.377575
11.91_626.9192m/z	626.9192027	11.91183333	pos													8609.094483	5964.09349	7528.32244	7721.382984	6653.807698	5999.576061	8594.63409	6979.135436	5536.242757	8240.197288	7200.691983	5141.412829	7520.94249	6472.841896	6195.541108	5803.18837	6725.868271	7644.634924	6480.007975
11.93_355.0012m/z	355.0011863	11.93223333	neg													2654.928361	2524.028442	2587.162991	2438.054618	2176.63774	2392.932091	2679.85099	2441.488308	2523.182963	2378.881242	2719.285853	1760.482458	1945.346999	2289.901154	2374.485072	2342.904915	2662.802959	2424.308193	2087.792089
11.93_419.0319m/z	419.0319246	11.93223333	neg													2518.710638	1914.975907	2093.879115	1706.702701	1729.257835	1774.544481	2082.656206	2063.548213	2052.10652	2040.766463	1997.299918	1531.349111	1068.866439	1548.722113	1810.165119	2120.362384	1873.483279	1634.530212	1713.368172
11.93_602.4283m/z	602.4283292	11.93201667	pos													10904.10092	10633.84805	10595.86847	11016.47883	8830.315623	10134.71416	8409.065186	9589.489974	11502.67021	9891.791973	10385.56787	11466.9937	11842.73171	9125.733171	11146.69521	8227.324231	10006.86489	10498.8815	9527.795831
11.93_602.9298m/z	602.9297789	11.93201667	pos													7249.476436	5456.490291	6695.917565	5184.208296	6151.607135	5383.526588	4634.049483	5124.107074	5588.381974	6767.938133	6801.541521	4608.089824	5811.998643	4395.845347	6286.853826	7023.154858	5214.25425	5406.294511	6100.065923
11.93_679.0782m/z	679.0782099	11.93223333	neg													8479.199657	4955.052997	6475.801979	6604.934171	5256.163414	6767.442017	5972.358007	6067.859042	6112.53939	7172.026469	7114.363009	8339.920088	7750.092976	7719.707989	7508.111373	7984.581093	5957.327525	7617.510461	5153.388911
11.93_857.6744m/z	857.6744391	11.93223333	neg													767572.5842	493904.429	616897.8469	629964.393	639044.6618	604973.8283	618007.9484	593554.8716	533356.4807	524933.2531	585744.4537	733168.6296	792327.1648	750371.479	735050.2415	744311.0651	684015.0146	705327.6374	655481.6987
11.93_909.5516m/z	909.5515676	11.93223333	neg													15716.80657	22611.25358	22287.66944	13601.48639	12729.46613	8709.651129	10744.52256	7057.497558	8305.796201	9280.812723	13004.956	15596.97968	18840.19567	13345.83257	18117.02216	19949.59831	18106.27211	16300.10533	13411.75801
11.95_206.9875m/z	206.9875316	11.95288333	neg													1689.464382	1588.780533	1780.502106	1902.51557	1719.9445	1886.338537	1766.16054	1812.387519	2019.742547	1958.825549	1942.77914	1429.970928	1577.635595	1741.230487	1839.130117	1979.514451	1624.390459	1936.897291	1528.218945
11.95_287.2210m/z	287.2209688	11.95225	pos													5649.134645	5437.213377	4868.206918	4812.819096	4073.302463	4531.054574	5292.846635	4942.407554	5210.419402	5076.751935	6146.719989	5958.717504	4632.097596	4719.818632	4981.051249	4888.873205	4980.238007	5543.368196	4407.293667
11.95_410.8600m/z	410.8599509	11.95288333	neg													2810.656923	3614.02164	3480.283211	4064.41681	4167.019354	3866.195547	4035.457325	3824.244028	3844.674236	4174.710742	3894.369732	3529.579168	3975.323586	4740.682887	4016.894241	4190.856766	3754.27135	3965.532115	3594.878287
11.95_580.9169m/z	580.9168894	11.95225	pos													8984.861737	5945.041546	7242.204059	6341.352397	6828.273358	7877.596337	8259.423284	8146.452101	7258.476556	8751.168483	7631.437787	8485.223139	6118.40271	7145.679799	6243.626401	5996.344829	5384.255768	7514.582359	7121.348219
11.95_624.4412m/z	624.4412124	11.95225	pos													8545.493619	7181.521511	8898.650135	8524.373618	7974.707492	8175.450403	8848.428227	8242.003472	8365.295304	8191.544417	9126.512431	6860.52376	9533.345128	5922.203154	5324.850032	5876.595361	7755.182031	7448.533553	6932.248848
11.97_275.2575m/z	275.2575212	11.9722	pos													21256.50499	18833.92725	20238.21737	23879.24791	19860.3662	22857.5871	22286.69785	22491.25072	25396.15067	22449.73697	24976.98074	23153.46013	20112.05446	20923.96077	22935.44929	23661.10732	22657.59638	22809.61876	21253.21507
11.97_298.9955m/z	298.995515	11.97475	neg													1130.433309	1306.637041	1434.424719	1600.687486	1295.665146	1535.474934	1482.904208	1584.522207	1444.228129	1631.40224	1455.606742	1136.016135	1409.117167	1418.673694	1304.783282	1514.152817	1397.232345	1450.351518	1008.165711
11.97_361.1462m/z	361.146217	11.9722	pos													5818.0808	5711.457966	5692.843687	6366.961316	8063.956581	6042.902494	5835.515752	6013.094098	7299.349998	6721.600319	5973.131442	3165.87937	7521.447589	7814.425809	5985.200761	6855.963392	4597.154538	5633.284451	7536.862938
11.97_401.1422m/z	401.1422406	11.97475	neg													8028.134903	9498.009172	9981.601707	9928.244515	13422.76016	10142.49255	10495.91493	9271.90445	12509.23295	9812.623958	11259.40159	6775.702378	12292.89357	14708.46776	9400.547526	9255.872812	7678.979937	9152.475224	13776.45799
11.97_437.1919m/z	437.1919426	11.97475	neg													1344.865637	1612.557863	1240.286949	1704.886653	2465.223641	1355.507027	1202.91923	1081.338022	1871.006033	2081.308206	1174.158485	1022.841028	2185.419529	2266.147285	1172.660846	1576.593083	1084.682586	1087.784201	2697.554698
11.97_449.1478m/z	449.14777	11.97475	neg													3677.185803	2947.090422	3686.734333	3919.709055	5550.040435	3286.294284	3742.180758	3280.265476	4418.434235	3708.858873	3323.547279	3374.861004	5313.569636	5583.642926	3732.311893	3775.656624	3569.272196	2727.585404	5239.838696
11.97_567.0085m/z	567.008535	11.97475	neg													3899.529214	3738.922869	3888.297818	3653.668774	3495.429411	4125.525891	3589.55106	4448.116237	3435.489814	3820.258108	4726.463795	2698.090394	2648.365742	3633.096909	3841.063032	5322.884337	4147.26912	3540.574988	3037.161081
11.97_633.3578m/z	633.3577536	11.97475	neg													1437.036626	1187.373752	1458.84417	1139.823506	1302.127244	845.6100926	1463.08305	1979.884849	1561.292058	1275.25852	1403.621481	423.9787336	0.000297236	297.9652332	449.4153026	1149.92138	900.2429949	292.5359924	271.7058015
11.99_183.0096m/z	183.0095627	11.99223333	pos													8571.143577	10033.48481	9576.808536	9882.789992	9234.283884	9407.910444	9394.777611	10002.38848	10634.45401	8792.96079	8597.212169	9560.720353	9458.584282	9525.817332	10074.77378	10961.00937	10380.72481	10210.23635	9663.342725
11.99_474.3524n	457.3491315	11.99223333	pos													9979.894447	9580.601941	10743.96105	10445.34187	9820.077432	10437.33486	10340.3558	9903.760662	12330.08924	10199.09076	11145.13661	10055.89861	11135.49081	10665.96966	9911.225369	12056.81183	11711.20636	11122.00434	9513.384016
11.99_536.3891m/z	536.3891148	11.99223333	pos													22445.51325	20972.00714	21024.19636	22459.78964	18650.38222	19416.27169	21026.66328	21884.54577	21152.73059	21964.09251	23616.32398	19725.50566	18180.09026	21843.3045	21989.13577	19124.96313	18069.2442	19901.07661	20521.95302
11.99_536.8909m/z	536.8909434	11.99223333	pos													10628.80161	7895.725484	9365.595917	10991.75534	10313.1415	10989.69289	11243.1632	10919.84892	9954.409502	10332.36682	9729.177245	10474.90898	11047.71649	9632.656237	11164.91249	8716.556888	8779.085952	8921.945058	11053.02884
11.99_558.4022m/z	558.4022025	11.99223333	pos													21045.92044	16092.10385	16129.06349	15878.06607	17064.73274	16399.23116	19772.0031	19375.4695	19545.49529	19317.92677	18107.43621	17400.03512	15583.56812	18520.13515	13989.24204	17087.62686	17754.56765	16309.1948	16343.66812
11.99_558.9039m/z	558.9039309	11.99223333	pos													9824.472572	7843.306865	9059.358391	8734.829745	7113.238067	9250.691934	9719.473857	6940.203303	8910.165624	9445.635515	10295.22691	8243.063229	10185.88917	8610.098488	8984.594943	7508.910754	8872.667917	8413.733022	7321.418077
11.99_580.4148m/z	580.4147972	11.99223333	pos													15504.79917	15607.02065	16278.94845	14734.9434	14169.76311	15510.63115	15753.61579	14566.40818	13826.22155	14779.61844	16338.55882	14669.86424	15186.60111	14541.00169	12411.03106	13346.01571	12500.19014	13208.23649	14088.84232
11.99_583.3945m/z	583.3945382	11.99223333	pos													7169.345501	6093.606053	5411.004327	6399.667395	7996.528848	7181.224633	6337.561033	6439.879786	5277.174358	7118.539847	7000.787247	4728.826229	5112.130378	7874.769892	7360.453269	7932.14235	6141.432168	6551.443669	7235.601038
12.00_365.2305m/z	365.2305412	11.99595	neg													1549.660161	1913.677428	2062.149275	2199.792982	3033.413316	2682.338543	1415.694694	1591.959054	1643.071462	1415.718725	1298.594031	2039.78055	3594.965518	2259.504575	907.6623153	1844.637965	1566.804026	1871.02808	2059.874282
12.00_435.0078m/z	435.0078364	11.99595	neg													4351.255881	4625.439761	4663.906621	4590.039123	4311.647553	4899.275005	5124.265757	4827.957987	5036.220369	4656.084612	5707.532177	4110.201485	4750.412314	4642.835383	5195.262079	4664.236595	4833.92187	3964.870893	4675.778138
12.00_484.2761m/z	484.2761449	11.99595	neg													515.2789426	715.2096412	868.9144706	1097.125697	1409.845463	1155.344423	786.649748	424.3108604	312.2095417	645.204368	862.0976376	323.2958626	958.1446799	676.103997	366.5066191	845.0638057	769.0650978	834.8453119	767.0796752
12.01_371.3156m/z	371.3155511	12.01218333	pos													40527.61498	51912.83717	45201.48982	43997.68743	41629.31391	40219.91278	40823.18455	42637.80555	46532.53579	42473.86411	43318.82813	50203.12172	50454.49293	64707.93297	92013.94555	80182.92686	41847.18159	29038.55172	36326.60005
12.01_539.3694m/z	539.3694232	12.01218333	pos													11172.53547	10658.67523	10181.29262	11154.95103	9522.498285	8930.441118	8228.989729	9726.571343	10083.06882	12098.07413	10601.32107	8800.50955	7819.569063	9692.739084	8145.428849	8074.111868	11062.06817	9309.359758	10020.78108
12.02_223.0190m/z	223.0190433	12.01765	neg													2317.730563	2702.752452	2823.069009	2596.454984	2590.169649	2703.695839	2842.209441	2841.975963	2651.33861	2684.002707	2805.352131	2407.320798	2178.11074	2378.183246	2665.583952	2645.498172	2272.53259	2639.626969	2030.510239
12.02_831.6571m/z	831.6571307	12.01765	neg													151953.663	140372.5502	188053.7048	172052.5827	150049.8306	158783.2633	175480.3999	171377.1418	98015.35503	94446.58714	147369.6839	160341.7727	194808.5037	172453.2959	169756.8689	169822.9231	177911.1835	196030.3537	198879.3017
12.02_873.5701n	918.5476663	12.01765	neg													1856457.809	1441220.083	1758885.418	1728438.377	1821522.139	1909230.963	1643562.373	2069695.483	1977105.79	2142707.095	2206276.163	1829406.598	852437.1122	1361265.221	1660814.695	1734501.776	1970612.58	1879277.991	1691303.749
12.02_914.5367m/z	914.5367465	12.01765	neg													63984.97938	109099.7839	98464.81696	46378.62189	46500.66979	25814.20243	32732.05974	26722.59892	28135.4386	30588.37566	42620.98594	37888.54843	43125.81497	26331.16421	28494.91902	32032.2173	9059.573651	21374.92477	31146.8326
12.04_283.0007m/z	283.000683	12.03886667	neg													1676.135602	1865.753733	2120.253243	2077.600492	2247.689447	1891.410813	2169.029288	2159.344803	1956.553313	2097.791284	2396.554056	1556.883928	1740.76535	1971.508797	1965.093058	2079.051185	1913.676876	2033.482024	2083.774764
12.04_889.1051m/z	889.1051414	12.03886667	neg													11045.22252	7564.355834	9486.030052	7869.370785	9362.254786	8176.086332	7958.884421	7927.508918	7590.353221	10116.49822	9288.36904	9849.163399	10173.71244	9067.488175	11027.1632	13286.123	9134.350953	7610.175912	8592.188515
12.05_380.2873m/z	380.2873105	12.05466667	pos													1975.825361	1498.562686	1457.273558	1887.760831	1194.491475	1574.756874	1297.208875	2061.286406	3268.94036	1726.213122	2130.467878	1741.789908	1123.843447	1617.472716	2010.780501	1467.824015	1098.814779	1841.286286	1299.819022
12.05_492.3629m/z	492.3628922	12.05466667	pos													23587.59725	21234.38486	24994.72565	25374.71384	23008.50306	24683.15656	25153.79815	23236.62045	26214.88087	24177.50118	26170.39335	21592.16124	21407.59649	23176.57875	23453.03924	22050.97788	27151.9453	26073.00561	23113.65342
12.05_492.8647m/z	492.8646548	12.05466667	pos													11365.17985	8898.576655	9492.347839	11149.74921	12089.01929	10116.02311	10199.55574	8715.338513	11075.82727	10786.71331	10503.82448	9937.600399	9532.966648	9060.105642	10727.18172	9760.256094	11513.49338	9298.771602	8393.293312
12.05_494.8406m/z	494.8406192	12.05466667	pos													23242.78171	19718.51185	23720.59668	24214.25273	22433.38873	23798.79499	19955.05378	24216.60469	25435.22498	24362.68774	23958.59204	20945.8951	20128.44035	26223.2654	24396.06757	22461.77896	24018.49023	23607.84586	24672.84536
12.05_516.8539m/z	516.8538868	12.05466667	pos													18715.69976	18653.0021	21862.38893	19671.26967	18985.15049	21206.71347	22955.9168	21925.44052	24387.63147	18905.68093	20501.43929	19111.49255	22543.45904	18730.69598	18821.23561	19554.72599	23796.64804	19829.41595	22045.23292
12.05_538.8670m/z	538.8669776	12.05466667	pos													19453.54517	16769.1934	20418.93243	19439.44292	18310.82543	18847.99734	18816.47046	21240.28674	21811.6698	17561.0111	17677.68981	18135.04428	16433.64564	19125.19258	16069.11943	21129.92287	21835.3367	21182.55243	17898.68591
12.06_187.9407m/z	187.9406771	12.05965	neg													2237.739184	2103.344527	2499.486878	2358.478019	2385.898701	2345.313075	2431.058909	2200.814608	2373.973102	2311.873278	2406.79481	2091.900247	2398.985398	2270.140129	2417.296596	2689.856263	2518.767867	2628.087318	2262.768348
12.06_284.9972m/z	284.9972355	12.05965	neg													1212.225973	1356.404362	1387.847763	1515.914683	1228.461659	1170.064111	1471.298351	1539.691274	1392.687346	1332.464392	1513.681519	1013.433812	1173.571208	1569.366837	1253.463151	1437.646311	1424.094978	1384.668091	1297.402979
12.06_339.2149m/z	339.2148804	12.05965	neg													3159.635828	2845.828026	3478.208493	3284.742267	3231.441785	2788.332924	3619.164759	2272.471878	2657.365972	2683.150072	3271.979096	3921.672297	3798.122389	4306.692406	3071.743331	3574.811747	3417.223144	3375.949444	3346.160152
12.06_415.0015m/z	415.0015332	12.05965	neg													3923.877695	4610.942181	4332.883656	4504.277483	4307.175975	4818.456843	4571.443336	4538.780157	4934.913449	4452.819489	5518.712232	3917.878513	3784.390751	3965.817125	4376.146998	4081.371206	4136.896551	3735.108268	3965.899486
12.06_840.6095m/z	840.6095207	12.05965	neg													5577.719516	5053.464528	7575.221877	6640.903128	5196.998149	2034.127101	5149.412249	6597.771548	7309.07211	2135.312177	6121.425159	7599.512576	8530.203758	10512.55181	9724.70805	11820.96281	9138.058211	10799.17131	10849.9442
12.08_209.0125m/z	209.0125342	12.07563333	pos													29353.45155	31732.37758	32925.91048	33245.63778	31513.63239	30155.7794	32746.09576	31228.77685	33424.78032	31840.01958	32016.30805	32295.47238	31925.64153	33209.83233	33337.92942	34838.85821	34002.62589	33971.35389	31912.79507
12.08_403.0014m/z	403.0013759	12.08116667	neg													3793.533511	3974.579791	3955.057721	4501.923901	4237.794412	3372.165986	4870.751699	4479.473831	4835.836272	4495.138918	4818.831426	3468.44092	4256.364774	3938.241544	4545.411685	4995.302693	4503.847821	4158.42469	3386.946707
12.08_496.3424n	514.3761901	12.07563333	pos													29998.70894	24682.76141	24355.06929	28200.7305	25759.45385	26461.9086	25404.98857	29112.28544	28565.87167	25825.49355	26881.13792	21806.53838	21477.80462	27634.5535	27152.30932	29870.22901	27961.54709	29595.86316	24848.09092
12.08_496.8441n	514.8779177	12.07563333	pos													13964.03538	10391.83969	10694.70449	11413.98309	11203.62397	10610.21096	13644.67584	11641.26491	14615.73869	12039.24912	12705.80544	11092.18701	10242.58561	12727.17329	10682.54354	10992.82503	12578.06034	13649.4095	10264.51349
12.10_466.3140n	465.3041262	12.10211667	neg													19125.44251	16748.25155	18197.65824	16435.89392	16850.68465	16603.59704	19892.58055	18809.8292	16105.83766	15281.70535	20922.68605	19688.04383	20459.66178	20899.37135	19895.19371	20217.43318	20300.30492	22409.79089	20937.53199
12.10_497.3959m/z	497.3959463	12.10211667	neg													1663.686607	1746.819492	1604.898128	4266.349917	4171.389548	400.64879	3120.525608	4542.675547	1503.047714	3873.747032	1027.280259	1141.785713	1075.249778	2473.869074	2451.011229	1668.168794	1275.070804	1881.563361	883.0003105
12.10_500.2650n	523.2540251	12.09616667	pos													1795.948978	1503.4046	1762.561401	505.5405613	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	441.2492092	0.000297236	69295.78948	9788.507827	0.015172354
12.12_293.1788m/z	293.178769	12.12256667	neg													3405.478797	3333.899224	3388.666422	3772.675126	3368.73166	3154.03702	3677.62946	3641.38567	3682.426386	3328.267846	3936.100986	3471.570728	3775.128967	3323.085671	3467.83265	3655.255431	3035.277068	3539.47261	3726.099006
12.12_307.0021m/z	307.0021495	12.12256667	neg													1871.356982	1908.706642	2260.612534	2114.374529	2107.659166	1994.665682	2003.565738	2107.806395	1912.633527	2295.741216	2074.595639	1800.091798	2400.47261	2131.746112	2066.169785	2038.175648	2024.581671	2091.793519	2187.513311
12.12_398.8860m/z	398.8860371	12.12256667	neg													4054.016405	4701.413816	4773.988512	4751.146259	4222.506827	4440.664231	4972.039517	5241.726533	5609.301478	4102.082807	5394.738525	5132.597916	6671.191596	5613.476748	5107.209433	5382.355352	4986.8162	5328.216956	5430.91717
12.12_452.8177n	470.8515557	12.11653333	pos													12986.24815	10253.31615	13910.78665	13689.10021	12970.48949	13460.87988	13847.85137	14971.14909	14715.70441	14209.38751	14960.00429	11099.00385	14333.82694	12530.33848	12649.91471	13130.29796	16397.28845	16204.11285	14674.76161
12.12_501.0351m/z	501.035063	12.12256667	neg													2457.585755	2904.489388	2887.90621	1956.854014	3284.371913	1994.131466	2380.449047	2875.634411	3207.688351	2653.095799	4187.122657	2578.434405	2533.78049	2675.105235	1986.041967	3198.850643	2730.972392	2839.120122	2648.219737
12.14_353.2001m/z	353.2000726	12.14313333	neg													36430.93908	35919.95302	37618.88999	22888.25515	23933.62234	21010.00238	26254.86819	21078.12856	24455.88369	19752.22678	26564.8435	24520.54649	20906.43744	43658.54036	21022.91049	19333.28879	24923.40837	36336.55921	25730.54368
12.14_389.0049m/z	389.0048876	12.14313333	neg													3048.315689	2867.399907	3252.252292	3342.765148	3117.116838	2397.627312	3451.897213	2892.925299	3489.038884	2549.30139	3381.330476	2906.595167	3507.542807	2316.833	3104.558278	3365.032346	2770.140536	3075.0629	3139.545987
12.14_452.3160n	470.3498484	12.13768333	pos													35595.70772	28645.63619	32947.8132	36368.20854	32050.53829	30808.19694	33138.64525	33377.29391	33023.28433	31661.3304	34776.99308	28662.31984	30232.09914	33012.7443	34069.36245	34732.4723	35645.56356	38672.23964	30761.01789
12.14_472.8275m/z	472.82749	12.13768333	pos													24667.53506	24776.06525	26698.70942	27685.65201	25755.82537	24243.4103	28633.16599	28406.93904	31242.7139	28086.74752	27018.89535	24800.13345	24302.74309	27603.63559	26984.96708	29047.09432	31447.87964	30471.82375	28275.75296
12.14_497.0218m/z	497.0218254	12.14313333	neg													3880.881308	4250.34027	4121.053071	4142.041152	3894.471081	4789.415379	4467.131876	5035.007092	4530.735025	4083.172269	5150.894852	4083.996559	4951.822276	4098.067955	3464.63	4745.210578	4385.540464	4183.709075	3653.456352
12.14_517.0115m/z	517.0114864	12.14313333	neg													3720.313807	3110.425597	2681.395157	3726.327263	3395.407173	3736.40246	4505.22125	3315.947558	3134.250077	3488.745604	4477.871517	3220.356267	4691.254468	2558.316562	2798.554107	3486.597675	2820.150371	2832.418977	3278.518117
12.14_609.5573m/z	609.557291	12.14313333	neg													32608.10207	36073.08807	33837.47129	35791.64912	34166.86965	36297.55373	39362.61714	37455.33128	37047.95595	39843.59586	40113.63646	30629.96318	33859.18982	34623.66386	34106.06226	34988.08863	36085.28981	36705.35095	30958.86555
12.16_229.1431m/z	229.1430556	12.15825	pos													19696.58646	18808.18722	18424.13293	20236.95506	18250.74334	18941.40063	18286.72103	18935.02265	20411.32284	19551.26998	21092.664	18146.3567	17165.52779	17598.13091	18009.75545	19284.43906	19843.21427	20226.50754	18338.96882
12.16_255.0257m/z	255.0256757	12.1649	neg													1607.631928	1182.020201	1591.799843	1346.915512	1500.122288	1343.361271	1441.443219	1453.174338	1599.364825	1357.914793	1407.863325	1459.122664	1423.019092	1401.934684	1297.395131	1567.311055	1477.734316	1482.304374	1360.336547
12.16_336.9930m/z	336.9930041	12.1649	neg													1885.610458	1884.804095	1741.993973	1914.738497	1663.290845	1860.174324	1937.593761	1978.501074	1708.75126	1469.812213	1794.653638	1729.344788	2097.694949	1851.697462	1811.74776	1815.824826	1963.142266	1827.495911	1668.636602
12.16_448.3366m/z	448.3365881	12.15825	pos													35588.5966	32265.75509	37689.49029	36905.36521	33240.17935	37492.28084	37658.99916	36482.03612	34866.47115	33639.11734	38678.03016	34022.51912	32117.77968	36574.76741	35725.77169	37414.35269	42296.46298	46144.74286	35706.90634
12.16_448.8383m/z	448.8382647	12.15825	pos													15202.10053	12240.55859	13622.1787	14599.60839	15728.27329	15259.10837	15043.89421	14857.85892	15751.40867	15530.45987	16466.19466	13547.92588	14279.71958	14783.2762	16612.8557	14814.79082	20329.62509	18995.44069	13700.47989
12.16_450.8143m/z	450.8143251	12.15825	pos													42644.0876	37667.6996	43224.94635	40387.09963	40638.98251	44000.7562	42513.25928	44504.51845	45117.61298	45331.46133	45115.19267	41420.39886	38349.80357	40794.25548	43105.80026	45249.23061	53777.24254	48463.73459	46121.69617
12.16_451.3162m/z	451.3161792	12.15825	pos													20834.60217	16766.67899	19297.43072	19773.65073	21165.51174	18465.96865	19188.43772	19551.89299	20466.94958	20729.83046	22162.4313	16139.34389	18366.71468	19329.35091	21394.5609	20469.97697	23555.76292	21333.35306	21934.76603
12.16_453.2921m/z	453.2920578	12.15825	pos													11729.60252	9118.029902	11851.67712	10813.85168	8966.187363	10604.25579	11147.66183	12091.28662	11948.20983	10893.6911	11553.15002	9897.382229	10163.35873	8888.873881	9818.004292	9324.239044	12832.55889	13536.91271	11883.28784
12.16_453.7938m/z	453.7938206	12.15825	pos													4911.372638	4386.411498	6093.784307	2708.508087	4868.726155	4007.898015	3619.830628	4097.138804	4522.497752	4581.037834	4581.033699	3485.361092	3338.643166	4673.34596	3925.499092	4971.604668	4609.322271	4908.201139	5362.183385
12.16_882.5286n	900.5644533	12.15825	pos													32668.73603	36443.18398	37739.67548	32501.44543	29649.75832	35565.58687	32908.59829	36929.96565	39341.10152	31256.97019	32731.33836	41742.60506	58493.86924	48059.81972	63611.48924	25418.24349	15104.05953	27133.12481	32552.32517
12.18_318.1955m/z	318.1955033	12.17966667	pos													7975.988283	6354.933039	8265.93286	6575.815936	6633.734911	6632.173235	6510.511096	7157.395932	6567.476117	7611.014608	8743.483107	7859.635081	6772.905285	6502.218121	5512.52574	6955.549712	9112.992003	9164.615214	6681.887397
12.18_318.6971m/z	318.6970653	12.17966667	pos													2417.340169	1704.217187	1588.369005	1487.536661	1254.674543	1222.552761	1968.835176	942.4042694	1108.915518	1482.170504	2171.950072	1665.030023	1349.098498	1421.343492	816.9263671	783.5826707	2255.665109	2058.952422	2136.125147
12.18_418.3120m/z	418.3120271	12.17966667	pos													12853.80339	10537.76639	10895.15067	11093.28065	12017.28364	12160.38291	12089.44263	12635.72559	12638.68311	11752.22001	12429.39437	9556.65866	10701.72525	12319.11868	11623.14466	9426.677994	12721.62595	14743.37799	11510.12898
12.18_439.8234m/z	439.8234046	12.17966667	pos													4929.920206	3643.708412	3856.595439	4436.665918	4051.753944	3663.848769	3987.565618	4898.27953	4087.407045	5117.246659	5683.943237	4953.692405	4543.80467	6180.163468	4473.269658	3228.275785	7363.358133	5781.683953	5047.936786
12.18_850.6653m/z	850.6652848	12.17966667	pos													27905.64747	46550.44625	36131.26551	31990.97032	35251.54634	32533.17916	34861.80974	32174.57498	31474.4676	26232.82821	24275.40546	48869.42644	42533.20521	31285.17555	32430.93801	34352.1326	36388.13006	42532.05776	37340.93095
12.18_860.6100m/z	860.6100485	12.17966667	pos													29676.68471	49524.99646	53547.69667	47290.30097	57287.4009	34671.10421	27816.27746	28270.94061	32491.76387	30477.63826	25727.07625	35438.41799	39511.49048	55562.5976	43531.16344	57885.6574	38683.01758	73605.48789	52416.02273
12.19_283.0007m/z	283.0006511	12.18593333	neg													2290.767694	2337.804774	2024.653656	2026.106505	2206.58762	2427.623354	2202.818154	2264.798798	2320.063671	1832.429392	2434.002347	1998.269593	2979.386495	1893.071405	2409.864818	2236.706154	2363.392064	2440.205342	2180.641101
12.19_515.0163m/z	515.0162563	12.18593333	neg													4371.993298	3650.794032	3164.495266	3504.354466	3509.593804	3563.013493	4112.150129	3785.553398	4027.540467	2860.490788	4369.772891	3320.796002	4716.019101	3565.551603	3337.41356	4212.724071	3195.043036	2894.521292	4042.758873
12.19_581.5262m/z	581.5261546	12.18593333	neg													130514.0041	122396.9551	120505.7238	124766.0913	120675.6912	120438.1556	124391.4794	123982.6857	121881.6571	127557.6037	128276.5293	117734.8525	136776.0032	125011.7206	128983.974	133838.136	124705.5601	127306.241	116674.5343
12.19_598.5166m/z	598.5165911	12.18593333	neg													11563.63791	9175.084763	10517.46893	12153.48003	12243.814	10391.45238	11246.08813	11494.65052	10888.92089	9022.051885	9851.902657	13234.98061	17512.83276	15232.90349	13883.13429	12744.53021	11922.3552	13955.92428	10763.72152
12.19_599.0145m/z	599.0145109	12.18593333	neg													21860.24773	17620.95076	19743.16662	18510.08194	17121.90354	17685.60135	20340.50064	19685.27078	19974.69639	19938.70098	25433.44604	19323.50355	20420.68449	16099.23226	19075.15185	21812.80747	19639.06745	19572.14707	15434.03792
12.19_789.1116m/z	789.1115752	12.18593333	neg													17769.04496	13463.22638	14320.57864	13761.06014	14168.01475	12073.41747	14048.29703	13466.95928	11769.74353	11557.50622	13297.11507	15157.22099	18440.39856	18092.2244	15768.85007	16409.26745	14014.691	14317.17547	15565.53862
12.19_902.5154m/z	902.5153747	12.18593333	neg													6330.263722	4150.595674	5363.236744	4559.384572	8177.582108	6886.50876	6919.341981	6616.01683	5720.438443	7547.163041	6706.743426	7697.81624	8625.192459	9822.303497	10154.40784	1397.671155	4997.240975	5298.229446	6667.46863
12.20_408.2897n	426.3235083	12.20015	pos													64985.15494	55449.35893	59064.20975	63768.16077	64453.52569	63153.6589	61492.12216	64030.85785	61609.74809	62050.34155	62945.16839	58487.73482	55430.78979	61303.19695	61561.61268	59102.47316	82720.12862	78348.45452	60080.35576
12.20_408.7915n	426.8252908	12.20015	pos													26643.07684	21188.70892	22248.07943	23605.64466	23395.22422	24362.72751	24052.32369	25280.58167	24944.23534	25802.38988	25382.0218	21662.83293	22847.73345	22876.99712	22847.024	21625.06879	31540.68165	30321.83949	24946.81937
12.20_417.8102m/z	417.8102485	12.20015	pos													6738.29214	6723.093592	7329.357324	7078.462798	7277.52061	6306.080361	5723.012746	6754.784725	6548.439634	5209.484307	7986.528438	7290.452386	7616.076282	8198.955613	8615.637772	7282.450456	7508.461575	9279.102889	7782.284136
12.20_420.7899m/z	420.7898697	12.20015	pos													3606.79917	3480.601855	2413.987717	3972.929597	4070.067881	4116.290914	3880.702576	3701.567888	4055.835501	3760.041771	4717.229866	4463.817052	4590.29812	2835.387469	7152.135033	5952.528706	5522.852783	3676.002751	3240.352299
12.20_428.8013m/z	428.8013423	12.20015	pos													69267.06268	63379.92295	69324.88432	69186.77866	68475.24719	64185.17996	67227.67437	67065.92511	65844.43018	64454.18314	73040.89204	62375.70982	65626.09639	59474.63157	70733.23582	68963.84986	87619.41184	90968.24212	73204.109
12.21_284.9969m/z	284.9969461	12.20761667	neg													2563.690261	2751.965112	2642.610548	3031.954139	3246.555481	2305.944109	2950.192384	2804.832199	2796.948605	2622.109663	2893.104024	2353.351953	3077.013686	2394.55715	2894.522052	3152.100023	2802.322238	2965.698301	2914.506194
12.21_325.0109m/z	325.0108515	12.20761667	neg													2459.113731	2317.156311	2246.212059	2563.223567	1946.296034	2242.939401	2526.036476	2221.309829	2222.911965	2025.054836	2655.151393	1981.172727	2504.688374	2286.790423	2004.116998	2310.899731	2343.459621	2515.826905	2367.460668
12.21_391.2464m/z	391.2464362	12.20761667	neg													873.6255783	719.2477859	563.3982928	1006.886913	428.2141211	868.0989244	934.7301199	363.9627509	657.4735825	576.6912777	1182.35922	887.0637246	785.7487667	1015.551849	995.7978149	1111.421368	937.4353894	797.3293491	601.9270505
12.21_507.1210m/z	507.1209637	12.20761667	neg													2046.863705	2013.320703	1786.576448	2180.099748	1674.975685	1343.294194	1732.974028	2099.535663	1812.352717	1751.671969	3567.2486	2010.084331	1065.092668	1457.319071	1181.336431	1521.396947	1998.666322	1183.882867	1287.329482
12.21_775.5964m/z	775.5963743	12.20761667	neg													153150.8091	131707.756	96797.12752	118646.297	117131.8162	116061.5573	100946.8048	126451.9784	146035.8173	171719.8232	168364.1601	136016.8341	141715.9273	2347.97556	91814.17522	134025.3408	211309.1464	148839.6286	118332.582
12.21_853.5779m/z	853.5779437	12.20761667	neg													1144985.65	1042076.827	1014430.219	1031301.819	1078140.224	1085255.278	993856.7026	1077025.119	1127733.743	1349329.057	1511961.913	1064038.26	996139.5521	459653.8212	788204.0243	1090876.4	1229604.994	1205528.893	1067748.796
12.22_296.1823m/z	296.1823185	12.22103333	pos													11529.4456	8185.028903	9956.113646	10284.07885	9992.096821	10699.10248	10861.35568	10524.80605	11249.95387	11232.83438	12007.11874	10234.73454	10497.42026	11092.75861	11560.95155	11118.63195	11976.2542	13679.55961	11355.56023
12.22_296.6840m/z	296.6840027	12.22103333	pos													2964.137093	2114.50795	1989.146614	2641.694948	2235.567545	1772.357127	2425.15817	2677.542507	3202.180779	2704.341237	2175.494381	2165.651774	2250.50582	2261.001932	2904.291298	2421.589214	3146.905407	2420.206363	2101.443749
12.22_395.7973m/z	395.7973406	12.22103333	pos													3468.057331	3511.453929	4760.090912	3315.054274	4275.575796	4513.880938	4137.868403	5001.368459	4020.183591	4725.853092	4121.372404	3753.191075	3886.019989	3629.046826	3632.247609	3923.511028	4096.33698	6177.265542	5090.22162
12.22_406.7881m/z	406.7881252	12.22103333	pos													47425.85048	35132.00707	42211.3696	45400.8429	45973.66385	40473.95399	47129.83866	45678.99504	45506.5485	49295.0606	48439.86908	34258.26651	36471.9778	41819.22927	43900.47425	43062.50725	53092.49407	55870.04741	45595.00758
12.22_407.2899m/z	407.2899374	12.22103333	pos													19852.44984	13496.20975	15121.53851	17962.20857	17221.02853	15538.58074	19262.99191	18237.16851	15340.10947	17126.39205	17044.15405	14445.12372	12249.62684	15526.45492	15954.91108	15910.3694	20145.01917	18935.02071	16081.92935
12.22_409.2661m/z	409.2660749	12.22103333	pos													28613.02394	21009.15284	27342.23398	27135.04227	27200.20378	27264.11541	26454.164	29172.12842	30157.00273	25706.61866	29316.28306	21459.83184	24990.73563	22096.13021	25190.95487	30673.75193	34563.8843	34272.71524	28839.0023
12.22_462.1226n	485.1118337	12.22103333	pos													102550.4828	74614.4493	107192.5866	105408.8642	99168.37889	98115.80805	97941.9501	98711.94475	93406.25396	97724.69597	103812.6698	72587.62564	83941.60401	79414.53071	86363.93069	91579.3475	97181.41089	104419.4974	99368.09043
12.22_767.5843n	806.5669352	12.22103333	pos													53800836.08	67098290.29	62344638.3	61872711.05	61656877.64	64833192.32	64039528.42	72781899.66	70591960.75	72406032	71514088.89	46570986.5	47481736.99	56360754.98	60211934.6	60713762.08	70835513.57	69507343.68	60757516.39
12.23_917.1363m/z	917.1363183	12.22801667	neg													14417.9508	11908.32535	13054.67157	12190.76095	11772.99632	11851.62757	12112.44456	11770.14579	10687.04368	12117.83525	10572.85513	14137.49459	12706.35312	13431.50212	13105.95892	15272.00302	15094.73094	13481.47383	11387.69141
12.24_188.9782m/z	188.9781578	12.24263333	pos													12342.64671	13313.16296	12200.08434	13407.58318	11409.69807	11536.2304	13510.90937	12317.668	13595.26918	12761.43858	12499.17901	14282.68582	13117.62469	13156.90971	12812.42982	13869.60965	13097.98553	13417.99905	12153.64205
12.24_728.5283n	746.5621133	12.24263333	pos													1607955.171	1710873.34	1346046.518	1326766.523	1302288.218	1433065.869	1391649.004	1479426.848	1375354.674	1459889.875	1594974.725	1622953.141	1469692.698	1313912.87	1335438.966	1413458.742	1602054.218	1597449.931	1350225.677
12.25_413.0050m/z	413.0050472	12.24875	neg													4345.163337	3632.988756	5079.830135	5312.955641	6248.412722	5210.326575	5913.025471	5062.550059	5555.326777	5149.013602	5997.767548	5550.824559	7630.47533	5086.350647	4388.657382	5253.822782	5900.080248	6286.292681	4405.144617
12.25_619.0198m/z	619.0197796	12.24875	neg													4211.898868	2662.857042	3583.224856	3263.189769	4061.585161	3811.368231	3846.8939	3554.436911	2459.431523	3686.230984	3279.437887	4562.255826	3973.938984	3438.573464	3978.810613	3085.799975	4551.736918	3372.221782	3227.799365
12.25_779.0728m/z	779.0728352	12.24875	neg													4373.94104	3572.033886	2957.983083	3119.347161	1962.162413	1512.965704	2820.556398	2134.365048	2361.49726	3172.258283	3172.556524	3755.003431	3100.887658	3706.886645	3192.847661	5256.969571	3918.61433	4319.028457	1824.145332
12.26_214.1264m/z	214.1264356	12.26293333	pos													2893.557934	2427.412349	3491.323795	3724.266686	3004.203289	3236.023737	3774.424096	2598.989811	2775.138164	3018.856154	3347.902779	2286.857243	3665.618402	3326.994099	2724.522469	3476.947696	2962.729716	3684.939628	4338.510466
12.26_234.6396m/z	234.6396077	12.26293333	pos													3479.570534	1916.360024	2897.328446	4098.807239	3501.574089	2568.035609	4024.876575	1781.249193	2901.34675	2133.204518	3370.991805	2695.269461	4533.19176	3912.011138	3349.437462	2649.474254	3619.341507	3722.704201	5359.740003
12.26_415.2528m/z	415.2527828	12.26293333	pos													17614.26397	15870.60243	14940.76156	14455.72546	14449.709	16593.64926	16312.09719	15974.65147	13836.37192	16716.84097	16074.00398	17309.42541	15573.33763	15729.11082	14317.12903	15456.8328	18900.74267	16775.30903	16664.65272
12.26_818.5644m/z	818.5643562	12.26293333	pos													47657.46884	64582.32805	79619.87382	61197.79229	62912.0585	71307.98891	62833.93765	75645.76026	88107.71292	82791.77899	78556.91954	83651.30625	41051.95519	76665.76326	79959.33518	75751.49598	125886.2046	146030.1823	80187.25299
12.27_327.0070m/z	327.0070291	12.27021667	neg													757.8850386	752.9482031	572.6576004	436.8298699	759.5671908	423.9062298	611.3521444	786.0943656	422.5827677	564.35387	613.6744587	572.850899	769.2674319	698.9109561	774.2471675	500.3602081	580.0380005	812.4391873	534.2857583
12.27_840.5326m/z	840.5326382	12.27021667	neg													65824.51827	53862.5816	67526.77269	74629.05978	66237.22324	64568.17935	62798.56031	66844.15646	63833.62462	59654.41951	70425.22522	61323.1534	23664.65474	82546.56238	84760.71194	62259.65067	65227.77366	63951.70525	55557.70494
12.28_684.5010n	702.5347965	12.28341667	pos													2191142.64	2374539.883	2085283.393	2041249.174	1969642.296	2162019.759	2093274.866	2186216.479	2043757.065	2187283.323	2196691.687	2443280.168	2356946.568	2163001.711	2313375.302	2247846.419	2508557.468	2429792.927	2067961.529
12.29_312.9919m/z	312.9918865	12.29065	neg													1697.888016	1517.126895	1338.166404	1707.461271	1655.58104	1071.533722	1809.097173	1789.724257	1613.917625	1915.383097	1540.867989	1456.188854	1672.058856	1512.877083	1628.753829	1762.35653	1246.34368	1487.251142	1464.376888
12.29_370.9948m/z	370.9948405	12.29065	neg													4494.873266	4046.10374	4589.127129	4189.890887	4076.212007	3648.81828	4745.120358	4572.986771	4773.142917	3907.53593	4963.937494	3853.436094	5286.461037	4351.561628	4388.956326	4457.838064	4509.187514	4477.644576	3919.78394
12.29_452.9983m/z	452.9982826	12.29065	neg													2174.641519	2213.993825	2035.847794	1810.051198	1485.42295	1504.366313	2442.215866	1625.119669	1857.824724	1506.293624	2300.343749	1614.476383	2441.94721	1577.720933	2491.023348	1961.058997	2305.310577	3339.730356	1668.984042
12.29_898.4894m/z	898.4893701	12.29065	neg													132795.8209	137681.4717	142483.1428	159103.7529	157990.6003	146824.1	158726.3051	146684.2865	182021.1974	169876.0705	162027.0675	138283.8255	137439.5691	61522.48745	180608.7869	191557.4935	169439.2019	160826.4636	140808.1015
12.30_640.4748n	658.5086209	12.30358333	pos													5075721.6	4899278.551	4732780.43	4667096.801	4507992.047	4841844.28	4945989.218	4957129.44	4760520.969	5079999.632	5017342.331	4984945.094	5048525.59	4837238.31	5249464.672	5232659.744	5463033.57	5365588.336	4685786.383
12.30_819.0661m/z	819.0661158	12.30358333	pos													92206.43838	98749.13069	120578.4945	106764.1865	102958.6618	110084.6718	95450.78992	106718.381	105191.2125	110401.2558	112453.3382	154338.482	76955.16129	109318.0459	131558.2783	142031.5114	192549.663	175947.2395	114594.0382
12.31_585.3577m/z	585.3577398	12.311	neg													1236.163611	711.5484174	881.3865699	613.5216002	2080.883307	1468.064428	2026.111548	2062.096608	2261.599917	1877.287143	1718.24595	0.000297236	995.629958	880.8181532	523.412739	236.3093049	261.1243277	236.0515542	452.3417586
12.32_349.2046m/z	349.2046444	12.32445	pos													2039.358272	3098.379899	3428.664369	1644.868659	1551.851101	3306.229172	2389.844961	3828.950979	2144.542217	2102.171669	2592.09059	2933.072152	1820.921928	1245.268117	2694.636363	2883.561669	4551.349786	2936.365709	1916.543535
12.33_383.0141m/z	383.014122	12.33163333	neg													6190.605304	6078.853313	6209.502164	6232.179359	6416.485943	5891.152988	7355.040222	6772.165518	6535.753744	6725.548966	7576.859021	5450.587967	7376.509814	6261.801267	6649.905563	7357.634867	6414.706096	6626.554443	6690.376292
12.34_596.4487n	614.4824883	12.34246667	pos													8145882.957	7643980.239	7583030.821	7497741.771	7290337.03	7693989.662	8131059.763	7964881.097	7702459.387	8181377.261	7988839.6	7894780.231	7867735.577	7721512.91	8270298.395	8327319.683	8447655.39	8310130.951	7477257.78
12.35_1109.8007n	1108.793513	12.35293333	neg													21068.5877	17195.13624	18299.77856	20762.73744	20044.77441	17169.48273	19101.4924	17298.41605	15389.76975	17348.92602	19896.87191	11103.25578	15981.45162	4850.803195	19326.8206	19118.84777	30483.6217	18160.05116	18703.73027
12.35_1137.8328n	1136.822034	12.35293333	neg													11017.85305	9972.162803	11887.334	12263.43543	5161.497607	9317.586115	10443.17984	8026.037723	5768.069403	7810.130471	8520.161411	9546.622146	13659.15655	9539.286147	5246.823263	4891.352853	9130.209829	3737.404117	10826.43613
12.35_173.0018m/z	173.0017807	12.35293333	neg													965.6680397	836.504956	718.4686279	854.6520417	803.0159761	724.556478	1077.696425	799.4624748	699.8415102	740.4362502	874.4459503	723.517095	771.543625	810.1388256	749.9591064	877.2674819	769.8860939	863.7748898	772.0756435
12.35_330.2465n	329.2392014	12.35293333	neg													17327.53882	16980.64692	19690.01842	22627.7799	20371.11987	23155.58869	22070.558	18703.78756	15628.61626	16677.2614	24420.51012	19747.02783	20874.85229	23369.58022	22013.05368	22163.96746	22301.52069	23458.21706	27026.79149
12.35_363.2095m/z	363.2094787	12.35293333	neg													10230.46562	8881.410275	9765.854679	12495.92034	11618.31444	12566.42505	11670.99898	10038.45569	8897.320333	8612.128044	12988.30105	11251.49837	12761.90437	14648.96534	13932.50905	12340.74854	12427.23108	12941.52986	15481.20735
12.35_397.2261m/z	397.2261254	12.35293333	neg													2094.116833	1899.217272	2375.982515	2632.233095	2303.851669	2457.318384	2337.502111	2326.104075	1570.498121	2002.01036	2569.263072	2254.904969	2676.568806	2729.211599	2819.357476	2477.126208	2572.679077	2647.78466	2365.166194
12.35_417.0156m/z	417.0155942	12.35293333	neg													11414.77171	9611.618203	10013.07705	9582.055992	9331.563998	10525.04283	11240.8535	9147.650926	10477.08871	10244.00458	10946.11118	8499.611688	10206.62337	10020.20502	10373.71641	10204.53332	10759.25145	11150.90468	9283.099475
12.35_428.1650n	427.1576807	12.35293333	neg													98666.45513	90019.83934	102947.4765	194218.4564	128725.2369	139936.5588	147333.5964	130031.9818	117508.1118	112674.8143	148600.0666	109964.8131	152166.5369	153739.3043	141875.9088	127747.8599	156591.4409	167667.8621	164311.9233
12.35_453.1787m/z	453.1786878	12.35293333	neg													2331.585663	1638.269534	1894.218614	2254.074087	2167.77674	2378.086492	2959.336901	1993.362816	2054.370368	1688.297345	3188.823933	2900.001184	3000.134641	3971.901347	2373.246581	1938.605057	2267.440702	2813.328334	2024.404393
12.35_551.0296m/z	551.0295759	12.35293333	neg													12148.96789	10726.63009	10152.37694	10368.7104	12267.88768	9322.36039	10990.39685	11136.26422	12799.9393	11651.56962	10771.60078	10786.10553	10563.51753	10618.02107	10956.43496	10736.91516	9997.948902	10576.7594	9798.584893
12.35_582.1537m/z	582.1537455	12.35293333	neg													1879.765924	1093.165469	1395.63868	2130.51224	1506.71821	1597.343361	1473.892925	1554.416416	2165.694035	1816.504554	2826.032177	2110.058196	2468.368269	1888.338734	2028.713544	2161.21432	1453.712527	1454.504274	2149.285256
12.35_738.3958m/z	738.3957647	12.35293333	neg													9465.740994	8935.344634	12457.43853	38829.64415	20375.52016	21955.14265	24065.09596	18947.30822	18440.69369	15530.84225	22648.52169	7490.16883	16850.64757	19421.18223	19569.72835	19427.17573	25411.19471	25530.41959	31757.63837
12.36_100.5102m/z	100.5101787	12.3611	pos													55110.12666	63831.96798	54258.23129	55230.05615	54542.46556	53828.37258	56049.68096	54721.75722	54743.93167	54934.60465	55873.38123	64989.32856	60140.20517	58785.39171	60314.27887	59976.80946	57835.3584	57788.0151	53902.24094
12.36_151.0962m/z	151.0961918	12.3611	pos													103233.0407	91066.69844	104073.6048	105249.8209	101998.2556	100937.7736	106529.1529	102577.1998	99455.13942	104196.9136	106335.5978	98939.83485	97616.5066	100889.2327	104253.2188	106741.6853	102562.4669	106286.9202	103007.9265
12.36_288.2656n	311.2548144	12.3611	pos													623760.3421	399445.7712	616178.7782	652776.6085	602447.9367	609576.6893	631037.801	623795.895	622739.7557	635645.0393	665508.7134	460472.2196	518713.3593	540047.5941	554531.0622	611197.9307	607724.3129	649969.3631	636840.1782
12.36_331.2532m/z	331.2531504	12.3611	pos													20118.51081	13218.67321	12070.08058	34243.41056	22425.2668	14252.05174	17782.87102	25331.15225	16472.95972	16593.39685	15551.97738	18973.66935	23358.08047	18524.44662	21394.80569	15839.10946	22960.18663	20498.72303	17800.48188
12.36_536.5273n	537.5345459	12.3611	pos													739245.0144	433231.4467	757507.6096	790291.2381	726637.4653	739088.6676	733524.8683	760178.0677	734141.6536	742856.0132	747027.7183	407253.7007	448558.0684	491278.5871	524767.1927	637466.2761	656183.1126	743825.9791	732833.1671
12.36_552.4227n	570.456509	12.3611	pos													10867481.43	10079982.63	10372639.64	10348348.36	10039122.62	10399508.85	11130973.67	10762211.66	10500954.61	11101842.34	10850007.6	10602778.93	10482608.02	10511055.07	11050216.33	11397180.25	11195766.04	10988779.8	10236305.71
12.36_598.4870m/z	598.4869576	12.3611	pos													20868.02243	14438.33555	22303.49166	20427.52781	20620.66545	20816.53716	29415.48649	20216.01739	19848.67352	19310.90217	21749.74772	19010.20353	21348.32822	17219.3241	19141.9327	13179.05994	20372.07117	16765.88378	23954.01039
12.37_379.0006m/z	379.000628	12.37456667	neg													6006.580916	5684.412097	5465.281068	7030.855141	6004.930537	6036.296057	6548.319265	5652.319441	6607.464786	6335.621324	5922.813669	6033.046332	5971.981849	5792.541879	5793.176719	6494.515508	6178.110345	6456.980313	5324.800396
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12.37_394.0072n	439.0014742	12.37456667	neg													6839.551875	5775.961634	5529.782069	7314.621659	5749.057207	5528.03478	5885.262712	5248.663084	5701.169153	5824.781283	7668.145077	5170.060131	6007.925956	5854.517795	5432.362848	5647.215739	5634.663896	5908.979005	5286.243701
12.37_445.0113m/z	445.0113285	12.37456667	neg													6246.045637	4695.846112	3725.728701	5069.770854	4418.657905	4849.909383	4673.106813	4954.637723	5038.647876	4313.639922	5000.662253	4599.082376	5728.34659	5270.870789	4278.243543	5826.158346	4962.656743	3932.969052	4486.225716
12.38_120.0255m/z	120.0254631	12.38098333	pos													20464.74316	28466.09966	22937.98437	22941.54654	21315.76005	21043.37283	21780.45808	22619.67259	21417.80544	21763.35626	21828.16401	27544.98759	26761.47559	27345.52048	25750.64219	24217.40595	24535.9274	24184.64034	21753.36284
12.38_344.2037n	327.2004249	12.38098333	pos													61570.8228	45923.3783	59094.0377	65736.50847	59347.86813	57038.91295	66342.65068	56828.17432	53497.42914	58639.61519	62967.60775	48026.90966	49799.62894	52704.41258	58946.96434	65134.30676	59312.97371	62450.67084	62913.63451
12.38_508.3967n	526.4304851	12.38098333	pos													13049148.82	12125345.85	12576937.09	12515851.92	12183094.33	12646879.84	13522502.5	13065069.04	12776249.88	13543014.9	13329314.48	12874945.43	12677580.89	12701611.7	13380462.12	13564915.62	13290453.68	12884880.06	12170242.5
12.38_529.4392m/z	529.4391997	12.38098333	pos													17114.60199	14426.64222	15770.97106	15747.11281	15754.1726	16008.10162	15420.62598	16875.43287	8578.851642	16005.46752	16752.58393	15227.81607	15800.54412	15668.29743	12008.29374	11067.84795	16134.4083	14437.88368	16028.58838
12.38_554.4611m/z	554.4611129	12.38098333	pos													55399.3285	36616.82635	49905.90316	43690.79283	47911.05773	45571.13772	48978.39529	41010.90036	39334.40091	50575.0113	41145.62332	48208.52925	48040.15936	41908.71356	40659.01134	43960.51903	45141.6411	49903.52042	46870.62892
12.40_283.1743m/z	283.1743245	12.40245	pos													49520.21745	42231.12944	43899.84596	45955.47352	44264.10662	46384.7085	48820.67026	46023.6108	45035.06828	46704.39757	46292.04624	46092.01409	43500.91659	42858.4223	46392.68653	47421.04778	48375.03937	43943.84648	41979.70806
12.40_387.0089m/z	387.0088954	12.39566667	neg													2146.795176	1948.633683	2303.236281	2064.063095	2271.552286	1933.241845	2270.103152	3032.008958	2593.630883	1948.255569	2043.464822	1863.641032	2091.561021	2202.2212	2232.852716	2005.311496	2762.796909	2753.520577	2031.091831
12.40_464.3704n	482.4042389	12.40245	pos													14820284.58	13445854.45	14473222.68	14389958.71	13962245.61	14424563.74	15249969.65	14848271.84	14443548.43	15278769.36	15119899.11	14387385.18	14091881.96	14174339.87	15085896.83	15272131.77	14851332.6	14453509.38	13834209.4
12.40_485.4124m/z	485.4124448	12.40245	pos													17109.03535	12464.66887	13452.18793	13783.46322	13938.9369	16724.11948	13878.90161	12787.97192	11144.80293	14778.80707	16643.63016	13144.38754	15352.98385	14494.64944	14847.55646	12320.45944	17785.45329	13668.89845	15163.92949
12.40_490.9953m/z	490.9953084	12.39566667	neg													3903.796812	3289.028954	4085.483777	2756.998874	2411.069236	3684.491048	2956.482227	3291.881178	3559.802914	2867.469559	3249.153941	2745.869238	2852.111	2946.180067	4384.049842	3548.526119	3357.482903	4528.899415	3510.539313
12.40_510.4354m/z	510.4354043	12.40245	pos													131871.9869	108102.8744	132350.7287	132067.0887	124414.0755	130698.7934	151785.3387	133793.1697	130159.7113	142739.8684	133737.1039	129853.356	121347.1749	128416.7258	130303.9182	134980.2785	118367.5679	129192.5005	120988.5045
12.40_817.1427m/z	817.1427464	12.39566667	neg													50355.47185	31970.99917	40038.61949	39883.51705	40207.56782	37053.13872	33392.99624	39083.67623	38662.0837	38588.92388	36563.84379	47759.02627	47484.28156	46313.2074	44630.83815	45658.41467	44860.73857	40085.31716	34972.22798
12.42_239.1483m/z	239.1482531	12.42375	pos													64794.29874	55486.35808	61580.96197	63604.97026	57596.13686	61156.41534	62164.89085	61797.24329	60566.40177	62447.99559	65180.42129	61950.4788	58427.54029	60583.80457	61802.70121	63581.28367	60867.36083	63012.6994	59241.21065
12.42_420.3442n	443.3332915	12.42375	pos													16530850.18	14823799.03	16203661.5	16243761.56	15731626.54	16117569.88	16837918.82	16661690.91	16147392.68	16877084.21	16879470.38	15879068.55	15828935.74	15885793.6	16829590.49	17113512.16	16480856.38	16272827.43	15670806.84
12.42_466.4087m/z	466.4087472	12.42375	pos													156676.8857	128880.1557	151075.2896	142248.8384	148090.9022	147877.555	160034.8044	150072.6511	151401.4226	156309.4718	150222.5798	144822.2385	138001.3522	147650.8701	149973.0716	152210.5237	147086.2042	145207.7414	143912.5929
12.44_334.2976n	357.2872245	12.44303333	pos													110056.1512	87652.88831	109879.9441	108097.1342	105595.4269	109447.1942	114857.3202	110560.6385	106103.466	107977.8166	110421.1318	94922.22763	102403.2273	107612.0133	108402.2221	113840.8291	110555.9163	119626.901	113218.6104
12.44_343.8797n	388.8780322	12.43801667	neg													19014.65062	18926.242	19131.61535	20508.52289	19544.75075	20264.20611	22721.08907	20917.00779	21535.55784	21831.62664	22449.18851	22716.69741	26716.19345	23255.38437	22504.97957	20507.19443	19038.18604	22551.14315	19978.65733
12.44_348.8854m/z	348.8854094	12.43801667	neg													3077.463617	2850.337122	2609.075096	3213.656284	3231.48569	3203.120941	2698.285422	2810.703917	3149.971017	2560.909938	3504.438462	3022.746252	3866.605835	2979.362623	3045.579449	2969.305076	2665.462786	2974.069253	2476.472981
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12.44_376.3180n	394.3518496	12.44303333	pos													15015185.96	13556199.57	15012232.43	14985593.74	14357378.39	14701245.69	15230764.28	15037819.13	14599929.74	15247787.8	15325491.44	14449837.57	14613393.09	14701573.76	15428535.25	15779807.29	15062292.5	15162284.6	14627519.5
12.44_378.3241n	396.3579709	12.44303333	pos													232347.6076	209606.7093	231793.8634	238962.6138	217059.1207	228926.0402	239385.4032	228237.4503	220992.0394	232470.807	238083.3264	221324.0267	211243.6997	228572.4809	234547.1181	239236.6713	233958.2848	240862.3932	219109.7262
12.44_378.3567m/z	378.3567213	12.44303333	pos													218046.0787	145095.5196	221470.11	214115.1654	193967.8911	202873.4502	232122.0147	216033.784	198565.387	225552.8842	219918.4436	167290.2553	170158.6434	186619.2497	185252.7581	213695.0354	198773.7351	215784.1029	213340.1449
12.44_379.3313m/z	379.3312797	12.44303333	pos													24686.56235	19508.69535	24919.96965	22313.48333	23311.10247	22457.94824	21951.75089	23557.11536	20670.30511	22458.68581	23759.80191	23693.60993	22271.93879	23807.71728	21895.55338	21840.72941	21109.92355	22020.76486	23235.28796
12.44_389.0049m/z	389.0049213	12.43801667	neg													3733.568928	4170.765271	3343.588211	4314.739713	4273.105536	4514.116011	4081.058564	4099.401228	4714.427673	4874.000177	3972.436305	3416.225242	3973.180125	4117.796789	4326.852517	4274.353659	3981.877288	4415.842483	3633.898341
12.44_422.3498n	440.3841743	12.44303333	pos													166284.1743	151021.5812	163658.738	163931.199	157690.0587	164675.5214	176083.7257	159621.9432	155553.4513	172082.9865	166814.1599	162748.3237	156988.6598	159158.3671	169725.0206	165268.2963	162790.1199	170399.1181	162284.8342
12.44_422.3829m/z	422.3829368	12.44303333	pos													308724.7248	252578.5234	317508.3527	305212.4776	282977.1083	293891.8121	319804.3366	306647.0971	293175.7813	319409.7042	315639.9759	269126.1424	274496.4331	281575.566	304562.6751	314140.9941	298613.6968	305431.6777	295296.739
12.44_431.0143m/z	431.014334	12.43801667	neg													3308.306668	3442.794396	3264.011969	2935.130706	3888.116941	3056.21901	3079.492925	3009.684242	3874.536266	3135.128624	3309.994259	3209.362528	3277.517046	2858.540673	3203.91723	3049.316917	3572.910995	3054.78694	2761.381122
12.44_546.2812m/z	546.2812078	12.43801667	neg													11678.63539	14557.99689	13417.19508	17169.76542	15617.80592	14364.45061	13750.00472	13542.09335	14687.31106	13230.41128	15833.05284	16921.43176	14639.98193	11437.20473	12949.5254	16871.37479	19456.38358	19083.92632	16376.12149
12.44_789.1107m/z	789.1107294	12.43801667	neg													3904.378536	2892.091452	2677.141954	2801.337545	1881.634187	4595.887201	2986.069474	3052.380599	2594.989879	2979.448751	3398.166243	4333.213355	2912.298553	3770.35921	3726.774852	5179.577626	3036.5568	3739.448656	3174.162848
12.46_365.0045m/z	365.0044562	12.45915	neg													2819.115194	2618.860692	2296.705017	2448.013287	2165.895656	2431.736465	2273.114736	2717.732157	3111.251514	2455.49893	2650.091883	2031.463544	2276.077999	2595.156518	2789.255718	2686.778872	2209.232036	2620.221653	2357.011485
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12.46_940.5491m/z	940.5491199	12.45915	neg													8557.941378	5184.909304	7133.628753	4355.329644	2877.264577	4462.639259	5221.437161	3264.716585	2440.719521	4988.291694	4168.424837	6390.037507	6373.596787	3924.6806	4385.611856	5090.340911	3316.874741	836.4311551	2898.714171
12.48_302.9880m/z	302.9879769	12.48001667	neg													1362.564278	1272.22242	1385.236863	1203.301464	1039.997615	1065.00375	1190.434312	917.7731352	893.7070754	1284.852941	720.8779657	995.8446241	1050.214971	1033.583806	1210.763307	1237.546455	1000.867512	1318.239905	1008.957627
12.50_315.0070m/z	315.0070443	12.4998	neg													1619.858383	1842.126568	1829.975297	1718.158307	1813.035256	1786.411659	1728.981024	1969.488541	2171.9408	1984.71507	2146.032808	1828.402475	1832.195178	1706.986268	1843.563307	1899.976208	1660.231026	1472.755975	1697.213232
12.50_363.3095m/z	363.309498	12.50208333	pos													12162.93506	11001.34701	12862.55739	14109.30891	12682.3417	12061.75542	13348.45992	12199.16737	11856.78943	12255.23577	13057.41411	12033.68085	12295.09497	13743.68578	12109.80318	12539.54323	10942.33195	11753.52859	13102.02388
12.50_485.0057m/z	485.0057399	12.4998	neg													7968.596635	7350.025798	6584.617234	8005.805378	7605.95824	6993.990283	7695.00984	7321.811654	8073.582878	9081.430458	8929.900315	7283.626439	8675.720837	7215.623737	7884.366809	9135.99238	7655.650792	7550.026832	6408.70699
12.50_512.4664m/z	512.4663982	12.50208333	pos													24116.59013	22579.17524	26529.79942	25844.89811	24458.63615	32711.37233	26295.39944	33512.78517	30498.84314	21875.01349	23608.46432	25616.89277	24755.48715	24369.68091	17258.81341	20612.41089	20570.96599	24895.85873	25536.14728
12.50_545.8746m/z	545.8745988	12.50208333	pos													4197.937434	4476.766448	6929.818018	5907.122068	5069.613842	5073.839373	5445.91357	4588.31824	4368.041893	5236.482086	6499.98302	4236.317658	3868.207819	6932.121484	4864.95691	4491.738124	3132.262027	5590.275567	5081.348638
12.50_551.2601m/z	551.2600592	12.4998	neg													6272.744314	6850.346492	7271.275269	7310.484154	6907.158051	10227.08521	7458.872361	1526.903096	1350.94501	8390.2871	9241.954445	2349.593589	10442.30578	8837.201028	7225.306555	8245.892397	8597.632602	8420.137774	9987.067757
12.50_587.0129m/z	587.0128819	12.4998	neg													4496.311127	6545.065758	6244.261013	6098.214397	5264.391606	6431.607786	5464.301529	5854.77685	5209.196576	7475.770523	5783.655437	4922.568987	4202.525906	4902.982089	5110.222328	6208.652888	4844.396064	4119.063589	5659.382287
12.52_146.9860m/z	146.9859692	12.52098333	neg													181.1703803	233.9452054	146.6044197	335.5868374	308.3361746	235.6557437	224.0619365	167.5279028	145.6417527	161.7258065	239.6889117	0.000297236	161.4752669	90.74805057	223.5515674	108.5128612	158.2462192	147.5558398	195.0129694
12.52_415.0014m/z	415.0014175	12.52098333	neg													7174.879705	6423.69151	6675.075965	6393.181889	7112.097831	7102.047044	6695.193417	7588.986732	7599.697036	7381.15801	6738.113125	6623.360178	6857.716054	6915.475928	7523.041047	6655.379614	7016.840428	6889.893054	6235.798803
12.52_421.0108m/z	421.0108234	12.52098333	neg													2172.753247	3105.927482	1801.132421	2441.730721	3126.599868	2320.563489	1753.060459	2351.727132	2411.865888	3024.463414	1942.987188	2823.952386	1578.427772	1996.298192	2513.297048	2917.02428	2190.897742	2579.965232	1857.24874
12.52_452.9995m/z	452.9994754	12.52098333	neg													3520.888176	5104.629428	3067.657379	4609.784686	3374.883402	4119.072338	3917.434158	5182.256324	5207.577331	3990.09951	4114.069398	3707.92199	4275.576212	4386.674957	5023.593618	3655.147139	3887.255745	3898.776016	4454.127783
12.52_598.5162m/z	598.5161506	12.52098333	neg													1168.777959	1693.066063	1529.073127	1008.117332	1527.03965	1786.137058	1964.887092	1293.035053	1688.465279	1283.963653	1803.070493	644.9472609	1621.572458	1536.035406	1946.546376	1449.514321	1076.237036	1065.477874	1180.596942
12.52_609.5571m/z	609.5571192	12.52098333	neg													17526.71739	21908.82098	17326.11817	15871.82605	19332.94355	20599.54706	18976.90427	20274.97359	22779.2811	22991.90853	23154.39231	16228.66836	14840.22131	17169.59941	18451.70634	16786.30193	19723.03094	15137.16635	18654.37664
12.54_118.9166m/z	118.9165744	12.54275	neg													2497.456312	2044.209728	2023.290099	1973.481742	2128.053734	2311.199334	2327.114017	1983.022211	2044.782691	2092.941631	2312.325111	2339.084316	2400.542168	2418.648813	2258.769179	2101.589071	2260.729281	2176.196464	2226.481672
12.54_305.2393m/z	305.2392591	12.54275	neg													5163.065754	4657.184707	4363.782085	5410.851101	5509.002873	5704.814861	5735.596457	7067.582299	7347.893767	4022.395549	5288.71512	8435.005775	6144.35927	8379.485301	5245.359759	6719.264607	4979.610729	5766.309997	4150.423198
12.54_355.0007m/z	355.000721	12.54275	neg													4351.506301	4245.478569	3814.358547	4150.456713	4266.712298	4696.548768	4732.915085	4884.838562	4485.846711	5081.729239	4472.306437	3745.837442	4586.541374	3835.649422	4209.262916	4442.224657	4881.246339	3786.102537	4237.307376
12.54_363.1617m/z	363.1617486	12.54093333	pos													59506.97194	41293.42341	63994.56427	71228.54284	63104.83708	64256.21458	55129.72438	63800.58386	67864.26138	59576.57538	60598.39942	60038.69272	54727.66649	56918.85921	61790.68465	63560.10515	64285.36255	64472.67204	63616.07898
12.54_371.2200m/z	371.2199634	12.54275	neg													30494.36574	30019.55433	29523.21249	31351.46963	33608.39572	35988.89306	36034.1515	41838.21288	41951.15025	28593.55667	30254.37137	47302.30877	36338.2906	43956.05567	34269.67691	35221.02827	31288.64111	35117.21858	27449.55814
12.54_388.2102m/z	388.2102316	12.54275	neg													2570.196983	2118.707473	2301.48976	1960.824663	2005.871545	2913.916457	2652.32088	2850.461097	2829.969799	2396.869355	2842.434859	4007.350744	3481.586857	3472.811337	2722.94433	2505.693539	2293.406489	2775.808979	2540.938725
12.54_404.1651n	403.1577998	12.54275	neg													194411.5745	205421.325	194320.5771	234361.1886	252246.8428	233638.265	218726.1181	229310.9404	295214.4686	231540.0072	241483.8818	330114.5174	317923.447	266669.4445	256228.4385	239772.0769	265731.7624	233896.7491	240318.4273
12.54_439.2074m/z	439.2073814	12.54275	neg													13635.59298	14361.4525	14618.52483	14281.24775	16100.77256	17604.69892	15554.03578	19469.25753	20360.54222	13912.1756	15255.44973	25139.61196	19006.83551	21949.68952	17936.55388	16104.5085	14141.52013	16832.96465	14785.21557
12.54_447.0082m/z	447.0082078	12.54275	neg													2311.341261	2049.389408	1628.345125	2146.089235	2647.151311	2336.279665	2940.140621	2300.903499	2615.913568	3416.481159	2485.313949	2218.791466	2075.581986	2594.893043	2312.603765	2220.136559	1579.12762	1798.980991	1957.759872
12.54_451.1633m/z	451.1633191	12.54275	neg													12970.64562	11470.02644	11705.7681	13261.75602	13628.37974	12064.36472	11860.33001	12327.27492	14257.03541	14532.2244	14112.33475	14739.00089	14797.80511	13463.41654	14089.01171	12891.33206	14378.03846	13591.56985	13868.04037
12.54_472.1524n	471.1451224	12.54275	neg													3128.129723	4965.73827	4416.218018	5854.188526	7380.188262	6276.435575	5776.597345	5739.007256	8073.271379	5176.410973	6792.694732	8201.609487	8107.659568	5946.642971	5519.883586	5055.762682	6594.572698	5709.515439	6229.835791
12.54_490.1661m/z	490.1661051	12.54275	neg													10867.31188	10690.53866	10487.88864	12747.0663	14006.3424	12588.90522	10264.85716	10691.28591	12200.21612	10520.21333	11530.70224	16704.40948	14599.45092	13076.51343	14536.26184	13449.83174	13969.34368	12745.58726	11793.91672
12.54_558.1534m/z	558.1534074	12.54275	neg													1984.162312	1731.201442	2321.689437	2150.103486	2760.884777	1774.217049	2012.146577	1768.326678	1778.160827	2494.060848	1559.695624	3229.381628	3591.858117	2560.784284	2859.307251	2366.919452	2527.124781	2403.523596	3073.61675
12.54_605.4228m/z	605.4228031	12.54093333	pos													10888.5692	13050.63604	10697.94004	12171.8975	12012.45419	12500.15374	10543.40042	12773.76943	13084.63631	15079.04788	14354.86872	9435.85017	9371.718786	13473.78248	13527.6239	9127.061806	9884.417971	12889.7064	11854.43539
12.54_690.3953m/z	690.3953215	12.54275	neg													29999.9563	54115.78342	53363.24567	78888.28364	92175.82632	83952.11746	65353.95563	70833.01032	102238.5301	66832.89425	72667.99183	69771.40207	58981.81513	62645.54158	67343.83956	64976.44737	80964.52767	66684.695	77161.06357
12.54_709.3983m/z	709.3982957	12.54275	neg													14984.36523	14074.36775	13723.27631	17815.96872	19622.21587	15651.0705	13765.24681	15429.10678	18880.68182	14991.99214	16549.48491	21063.32934	18495.22435	17954.59677	20039.19829	14394.93361	18445.84048	16459.56523	13689.80187
12.54_727.5687m/z	727.568668	12.54093333	pos													14508.98737	19408.46394	13384.59494	17730.12512	12820.47664	10855.06007	15439.03248	12311.8954	17496.8732	18512.30468	12184.72753	15865.93618	26608.73645	22882.81837	32767.63032	25861.92839	28604.06609	23028.48319	15779.19572
12.54_745.5945n	768.587192	12.54093333	pos													2330606.832	3928268.458	2551215.078	2668049.965	1848706.731	1872042.195	2044564.672	2223888.732	2026813.787	2232225.587	2148783.304	3894599.607	3702881.784	4567739.333	2733287.895	2073482.814	2904251.952	2785351.158	2733369.992
12.54_807.1028m/z	807.1028149	12.54275	neg													21982.50115	14328.24313	17205.27891	18084.7351	17314.09916	16196.37667	14432.70693	16143.73015	14531.39495	15874.62433	14134.8478	18907.48574	18081.75622	18433.05435	19734.39428	21792.87179	16651.94273	15187.42229	14596.36601
12.54_817.5940n	856.5804712	12.54093333	pos													3718737.383	3737060.198	3070330.225	3355029.271	3095736.545	3157168.784	3254869.837	3138577.945	3298078.021	3392359.158	3510245.296	4766894.225	4511209.692	3472824.368	2735539.574	2761771.382	3274192.225	3256614.325	3007609.014
12.54_850.6648m/z	850.6647926	12.54093333	pos													11473.6317	17399.64032	20701.7777	18225.66116	15678.70981	16327.37043	13094.71438	15964.62877	13724.38713	17652.09615	9273.55746	19618.86068	18259.01766	15633.25115	16727.80184	14179.09731	21033.83625	22791.92524	13643.27314
12.56_1017.1294m/z	1017.129377	12.56431667	neg													9291.84439	7540.464199	5474.490724	5607.330865	7693.877466	7404.748786	6432.162314	6645.425326	7371.646372	5779.016994	6557.368903	6760.094204	8203.63238	7107.888029	9667.473863	9429.716954	8769.702178	7101.270471	6909.202593
12.56_224.8027m/z	224.8027197	12.56431667	neg													1831.680204	1162.263207	1297.5112	1308.480972	1289.404586	1372.240621	1449.87674	1477.912888	1216.825811	1501.886602	1331.9928	2173.687893	1977.110381	1724.90887	1597.074761	1575.820747	1519.825987	1258.269518	1362.36535
12.56_557.2883m/z	557.2883317	12.56431667	neg													16091.43447	10504.3236	11447.52667	12965.10493	15229.02801	20463.80543	11389.02068	38614.16248	34658.66653	12144.79221	13624.42055	52714.7908	9401.469977	7182.33189	12279.39544	15889.90317	15822.9875	16784.43049	9657.82397
12.56_565.4101m/z	565.4100819	12.56118333	pos													9667.52024	6782.666293	9226.902802	9540.05037	6083.789	8389.139057	11460.33015	10745.24148	5923.948182	8788.871643	11861.76184	8532.197029	7975.390065	7775.016449	6967.906401	4802.388533	8699.924756	8869.048871	8846.205743
12.58_499.8724m/z	499.8723868	12.5819	pos													5975.109067	4375.482535	6589.252411	5181.53393	5347.671169	6399.498224	6585.249724	8177.143358	6716.837777	6029.26768	7645.510452	6998.103068	5070.049799	3747.683237	7333.85461	6559.882471	6424.248357	7435.881185	6047.065428
12.58_501.8483m/z	501.8483182	12.5819	pos													13396.81423	12088.51048	11947.98315	11988.21353	11075.11876	13146.03687	12654.36415	15179.06923	10013.12435	12075.2661	15821.99475	11175.24736	9879.387231	10692.19792	12617.09	11030.53147	12455.67979	12273.55282	13200.64366
12.59_284.9969m/z	284.9968509	12.58548333	neg													4678.14282	4922.133825	4971.001908	4832.903981	5697.823036	4965.249353	5130.521135	5368.472817	5211.634355	5252.527687	5137.226447	5046.930862	4851.394811	4372.463805	4964.129202	5298.880217	4648.545342	4806.709615	4995.67758
12.59_305.9939n	350.9883426	12.58548333	neg													3972.625274	3614.95991	3726.955691	4043.139941	3623.580522	3929.53452	3834.622988	4169.752567	4361.634585	5046.572931	4062.825036	3535.038303	3765.810611	4051.340241	4031.448688	4401.602446	3406.351666	3451.252911	3775.319103
12.59_348.9923m/z	348.992325	12.58548333	neg													5493.72213	5031.867733	5246.901204	5400.742048	5336.722056	5359.015818	4832.31017	5371.271232	5885.239648	5658.330188	5366.821779	4813.391168	5208.167421	5462.095668	5191.215009	5745.808903	5691.918487	5449.351945	5072.639691
12.59_399.0079m/z	399.0078508	12.58548333	neg													5921.262414	5463.517563	5509.193027	5758.883684	4966.334831	5560.61949	5780.163116	5697.273022	5842.696889	6298.05205	6714.538519	5051.54076	5566.831426	4841.405231	4840.180808	6029.673079	4522.709515	5713.744298	5462.908436
12.59_416.8731m/z	416.8730853	12.58548333	neg													1127.730028	1349.356622	1116.820751	1271.879461	1513.953102	1525.248756	1200.832254	1668.275257	1365.768048	1738.133985	1549.173929	1522.310735	2360.60312	906.9637484	1838.088792	1274.631846	1044.448594	1106.521534	891.5981031
12.59_443.0130m/z	443.0129567	12.58548333	neg													1806.605379	2363.92114	2247.847654	2323.55915	1829.434615	2323.001491	2436.215187	2696.701671	2673.570312	2471.429809	2750.815869	1946.272394	1755.764974	1786.07902	2460.983976	2546.405253	1774.784392	1499.761039	1752.803136
12.59_481.0107m/z	481.0106631	12.58548333	neg													3271.957129	2826.007821	2865.529803	2855.35764	3222.338161	2901.396787	2539.128226	1925.708439	2278.72632	3823.860363	2954.974587	3497.652836	3256.920557	1549.792538	3031.949023	2617.041654	2661.173626	2017.632006	3122.108593
12.59_522.0311n	503.0132468	12.58548333	neg													6818.490943	7539.797119	7651.136796	8382.682426	8962.561529	7904.089338	7921.30999	7838.28844	8182.342258	9155.388588	8261.454644	6182.24651	8038.160096	8039.124988	7695.704388	8248.776504	7233.270853	6109.641542	7546.091957
12.60_183.0095m/z	183.0094907	12.6034	pos													2605.83242	2443.662913	2733.592903	2639.312143	2519.566237	2628.706423	2584.302906	2409.101616	2359.955966	2876.345696	2415.914336	2429.712723	2894.173062	2466.292757	2378.158806	3073.109605	3026.42861	3124.187646	2521.008459
12.60_479.8352m/z	479.8352037	12.6034	pos													14976.87245	15156.36766	17010.52454	17846.92297	13740.06766	15483.27606	16684.61498	17030.92436	14767.47872	15983.63472	17241.09144	14144.16628	13913.74089	14759.89646	15924.93047	17048.07856	19407.13771	19876.44345	16760.18093
12.60_543.3971m/z	543.3970543	12.6034	pos													13802.0233	9128.976919	10212.36923	11362.95728	9384.377942	10507.2241	10541.31298	12937.4371	9639.794266	12624.47604	12304.38515	10502.33551	9494.766981	9406.284276	11172.13576	11290.71018	11211.14178	12417.93128	12128.31423
12.60_543.8985m/z	543.8985277	12.6034	pos													7126.523526	5956.421266	5394.351965	3821.419333	6340.700839	4181.978216	4645.24434	6098.269897	5867.103525	6085.72045	7125.98246	4152.151448	5728.08492	5233.198792	5573.839119	5274.092006	5336.683154	4800.109751	5583.57622
12.61_315.0071m/z	315.0071281	12.60645	neg													1488.840946	1652.162917	1511.048953	1505.595372	1521.023729	1793.884594	1618.451927	1727.410429	1658.487209	1743.327243	1623.163923	1312.902133	1310.506362	1242.014947	1591.898621	1667.240972	1333.153381	1104.000946	1316.656866
12.62_284.2850m/z	284.2849772	12.62325	pos													44885.6984	40337.24194	44456.85137	26216.28393	63441.08945	20455.60746	70239.05613	75818.63262	34720.0528	66616.35096	37433.76107	21414.42617	38284.06459	60570.60596	19490.23937	20692.32392	25726.91132	25482.34521	30626.48147
12.62_521.3839m/z	521.3839027	12.62325	pos													13067.77674	10230.31771	13254.30257	12881.17284	10676.7439	12477.29172	14334.39241	13212.35047	11753.65674	14513.91559	16504.27217	10987.62141	10951.9508	11730.75322	10596.74635	11025.73426	10140.7859	13508.41429	11150.39844
12.62_523.8616m/z	523.8615922	12.62325	pos													6798.123108	7000.515253	7025.576102	6268.501275	7068.015973	7494.880943	6302.853312	8070.065742	3384.326208	7822.167464	7837.173132	3957.298114	5523.071409	4933.380793	3944.501786	8167.171115	7463.032521	5929.007518	4650.492742
12.62_524.3694m/z	524.3694033	12.62325	pos													15617.92489	8872.301603	16010.41801	16402.67949	12868.99123	16233.63523	17844.40632	14558.19508	14497.49559	13928.04282	18119.53333	12370.47413	16524.67207	15549.76775	17070.65074	12508.60478	17239.42459	15840.41066	16627.44506
12.63_293.0062m/z	293.006179	12.62753333	neg													5183.173752	4867.122082	4789.061333	5228.988149	5492.024232	5492.331806	5805.06846	5282.081387	5507.656303	6198.473095	5943.530163	4918.829134	5274.795569	4937.289747	5673.30134	5635.145675	5105.800325	5371.162751	5015.075004
12.63_298.2467m/z	298.2467292	12.62753333	neg													185.4651631	178.9237911	192.8167636	258.1508352	103.2250495	0.000297236	107.4761749	185.9185433	0.000297236	249.8219306	0.000297236	0.000297236	212.1812442	251.4306621	85.91230666	0.000297236	373.6083766	0.000297236	92.59483862
12.63_463.0028m/z	463.0027521	12.62753333	neg													5743.634475	6291.10901	4756.488598	5605.26184	6189.042561	5766.080334	4879.231137	6083.803063	5169.115982	6248.553454	5544.484052	4350.777217	5952.383254	4616.515854	5304.145495	5170.58734	4708.401163	5048.062798	5302.003191
12.63_726.9254m/z	726.925399	12.62753333	neg													8876.707489	8243.532897	7180.381988	8347.224662	8758.896049	6621.741144	6916.717474	6590.865557	8277.524995	8595.562322	7047.813678	10006.1695	10387.59682	7925.098423	10525.48748	10252.15974	8773.239354	8728.676468	9049.221121
12.64_312.1985m/z	312.1985019	12.64356667	pos													8001.757471	6733.902338	9123.122681	9898.272449	8592.482227	7576.582056	8220.096942	1825.563232	2301.890689	8959.607859	9464.534045	2945.000768	7680.494049	9834.624096	7839.723218	9900.041121	8912.389502	6634.872588	10161.58092
12.65_415.0204m/z	415.0203725	12.64873333	neg													4603.912059	3921.450703	4245.816505	4327.378269	4702.787641	3970.334222	4452.675274	4301.426252	4845.933889	4215.718115	4836.912055	4980.644493	4659.877236	4401.436305	4029.66261	4338.347888	4189.381481	4210.261573	4108.753062
12.65_419.0314m/z	419.0314434	12.64873333	neg													13825.10244	13441.81288	14403.1334	14454.49855	15349.53661	14503.73635	13897.36304	15796.11253	15060.68187	16023.3553	14373.91284	12885.19706	14142.16345	12180.4035	13967.58807	14920.79101	14663.68274	14967.13414	12498.48407
12.65_431.0146m/z	431.0145941	12.64873333	neg													5787.425968	5581.851521	4299.845784	4475.085527	5990.10531	4714.298379	6474.46422	4773.107295	6175.056587	5003.951218	5733.803219	4388.275034	5999.12298	4768.077335	4484.364611	5651.283417	5092.518489	6573.113427	4947.214852
12.66_255.6448m/z	255.6447843	12.66375	pos													7834.471089	5043.375889	8671.630363	10202.29861	8788.268495	8483.221697	7937.586128	10244.01172	8272.878385	7336.305603	8756.437334	5304.455588	7694.383167	8159.992285	6129.521242	7241.313376	7140.28471	7803.204036	8411.82735
12.66_477.3576m/z	477.3576497	12.66375	pos													18505.80539	15935.70119	14192.077	18017.31689	17381.31997	16017.97876	14997.80377	14139.11556	11889.29221	17170.0709	17675.2846	14894.17196	14751.23508	12375.86649	15964.23017	14302.76101	15410.99288	20956.02332	16496.39259
12.66_477.8594m/z	477.8594146	12.66375	pos													7072.94719	4693.108428	8082.376341	6565.612746	6275.244497	7888.568662	5381.107095	6393.294408	7022.762251	6967.523229	7888.082743	5658.17566	6821.46811	6603.485903	6839.458023	7076.011885	7698.675345	9198.098663	6074.851357
12.66_499.3711m/z	499.3710855	12.66375	pos													15226.92323	12162.90514	14246.99832	16776.66565	15722.45002	14054.64446	12375.87625	18122.65551	16304.28143	14491.10359	16262.72033	9737.638095	10975.94882	10372.57798	13960.57503	12758.73906	13906.90023	14132.69446	13700.17911
12.67_290.9886m/z	290.9886321	12.6693	neg													1196.732525	1218.219765	1210.940849	1492.124606	1585.988388	1060.834497	1156.155542	1390.588641	1559.328719	1430.722144	1686.921509	1516.757345	1394.126464	1159.77475	1102.415054	1203.854084	1396.83316	1382.767789	1252.639998
12.67_331.0019m/z	331.0018826	12.6693	neg													3602.357059	3188.450179	3595.745623	3870.141089	3520.475409	3082.806947	3679.856242	4023.990965	3869.623975	3789.29929	3652.07037	3430.42877	3233.850185	3028.706281	3588.635895	3439.67058	3661.907028	4653.701477	3227.352632
12.67_342.2468m/z	342.2468294	12.6693	neg													125080.006	106413.0294	119201.2616	176991.9826	135388.0569	136181.5392	117366.3108	38576.08154	47267.5132	85783.59342	138250.9525	82059.64656	180493.163	177876.694	137421.5024	158824.8921	127355.054	179154.3849	164662.9678
12.67_344.9978m/z	344.9978047	12.6693	neg													1893.719689	1928.989843	1589.624247	1623.156411	2172.203294	1841.666279	1974.151568	2153.229562	1643.560743	2218.930785	1913.02463	1825.181472	1713.434699	1720.816768	1754.994084	2067.522022	1568.521338	2315.298034	1591.685156
12.67_377.0038m/z	377.0038055	12.6693	neg													1497.149724	1408.052767	1584.904247	1722.071507	1265.293817	1699.388518	1955.142647	1811.756945	1859.259265	1425.030694	2287.672161	1545.872475	1051.904851	1198.508622	1901.297651	1785.20564	2050.68134	2367.814528	1534.629501
12.67_377.1634m/z	377.163414	12.6693	neg													5671.448574	4745.351812	5762.804462	3221.529521	7248.423618	3340.313136	3300.383005	12113.87673	9995.006225	2612.662096	4188.684703	11801.52425	6938.503969	4560.628837	5667.270431	4088.321177	4456.288975	4734.559071	4239.710338
12.67_397.0096m/z	397.0096343	12.6693	neg													1310.221135	883.939763	1061.683262	2074.730299	2546.626635	1963.134158	2077.068181	1950.538711	3096.980248	2064.136102	1891.158778	1462.422631	1570.204457	1500.434255	1838.732384	2569.96428	1460.30606	1677.713616	1487.061828
12.67_412.1919m/z	412.1918678	12.6693	neg													374.302048	385.1629309	325.7661591	658.8011513	861.4555727	387.5683733	650.1667145	1442.079354	881.7000925	143.0488901	398.1360492	819.481459	549.3197727	318.4695944	403.8144933	360.8110327	521.6125725	431.8059884	425.5118959
12.67_447.1453m/z	447.1453216	12.6693	neg													1576.449035	1329.020023	1506.105446	881.9703869	2467.832253	1047.919992	1325.529013	5408.06541	5716.28402	219.0078169	1602.021732	6155.804562	2784.328413	1036.748019	1605.628741	1391.748879	1358.838635	1474.344173	1601.142982
12.67_449.0048m/z	449.004777	12.6693	neg													3679.471201	4270.733546	3478.517618	3147.452436	3662.01669	2652.463423	3993.512483	3164.246592	3776.60276	3705.249091	3478.100599	3262.636697	2454.40634	3644.645274	2702.190608	3459.003695	3963.991927	3511.819831	2972.827712
12.67_471.0079m/z	471.0078738	12.6693	neg													3947.59357	4267.424715	4008.504027	4290.009167	5102.172978	4425.1272	5140.916754	4421.876187	4242.939655	4470.226395	3974.167463	4763.153759	4874.074772	4220.488292	4647.531831	4052.499328	3146.744237	5483.509926	3501.572549
12.67_523.0018m/z	523.0018395	12.6693	neg													7059.031256	7293.125833	7441.051971	7782.872104	8040.046473	5302.757344	7607.195465	6310.969957	7554.987248	6897.038095	8072.266202	6809.625202	7168.823054	7600.47095	8005.809614	8044.658421	6809.307311	8490.786375	6151.526485
12.67_598.5164m/z	598.5163708	12.6693	neg													1684.779522	1368.670668	1443.607279	557.1203486	2004.062262	1049.034166	1017.044355	2760.633131	2681.645204	578.3801098	1192.312769	1860.390256	600.9156637	0.000297236	515.849975	1058.264487	958.6339617	1727.827052	622.3350655
12.67_599.0143m/z	599.0142727	12.6693	neg													9007.627498	7446.000418	7795.76029	9913.059099	9835.923685	9419.192177	7334.606476	8572.452493	9780.992308	9368.051044	11748.53207	8590.979934	8115.154766	7352.320429	8148.516734	8616.44482	9361.281094	9052.877964	7559.570287
12.67_845.1738m/z	845.1737807	12.6693	neg													26775.81411	18038.49036	21314.40452	21476.25919	22500.03601	19620.32854	18366.57369	17609.33531	16308.9247	16929.74026	20370.97595	22554.81879	25348.57887	21902.77603	22693.07971	26940.3076	23617.31931	24451.50576	20589.13589
12.68_339.1621m/z	339.1620788	12.68373333	pos													28494.1098	23925.39219	30468.55911	25967.53579	34169.69871	20422.19874	23621.35093	49233.45667	45603.25062	20614.57791	23737.63857	36356.5228	30841.60285	23126.36796	27893.75015	27361.31764	26956.50694	28890.0359	26003.0289
12.68_344.2610m/z	344.2609818	12.68373333	pos													2303185.88	2132420.39	2560980.122	3601662.61	2554582.544	2562229.239	2193151.283	828448.5178	885633.3818	1799922.088	2683090.49	1393273.571	3101118.671	3262518.489	2540598.286	2941467.568	2648093.329	3113784.941	3417742.783
12.68_761.5321n	800.519943	12.68373333	pos													160455.1272	89153.97076	120183.9168	171677.6028	173720.9986	180480.8523	202101.4303	267163.2006	211997.3104	115725.3771	201859.8339	70779.69557	37459.34895	35108.29307	55454.0121	96706.18331	95110.23128	100302.6845	120361.0581
12.68_861.6144m/z	861.6143642	12.68373333	pos													4475.444962	5092.919506	5575.899753	4941.129062	6396.10493	4607.640664	3073.244696	3382.428609	4354.754694	6199.713311	4344.990045	5266.385329	5646.162751	3316.48864	3578.841795	7700.747894	6735.462644	7584.310349	5926.57497
12.69_178.9923m/z	178.9922705	12.69031667	neg													534.1200876	454.1541415	450.6357384	478.37315	402.8183656	540.4431747	561.011171	543.7500173	446.8840707	608.6341179	521.9181803	324.4960536	482.8535194	392.2866053	619.4726169	520.3889106	563.9826209	739.7689576	420.3561197
12.69_192.0196n	191.0124823	12.69031667	neg													3778.832153	3744.421233	3666.598179	3982.293249	3879.44069	3830.510824	4075.896821	4479.102919	4133.559047	4209.72695	4090.841124	3808.434483	3569.843699	3823.016492	3861.694515	4124.47892	3944.20244	4110.611197	3912.126884
12.69_324.9925m/z	324.9925378	12.69031667	neg													6114.945767	5560.915651	5892.88417	6243.095958	6258.983719	5752.787966	6234.595231	6385.352509	6659.49003	6589.522743	6607.374911	5955.638294	5844.311771	5933.636504	5797.41732	6760.736112	5688.138389	6753.379351	6232.84828
12.69_333.0175m/z	333.0175109	12.69031667	neg													1834.468836	1940.680029	1707.240189	1878.76003	1994.419524	1281.290219	1772.770891	2359.580586	2309.784085	2007.763044	1957.599851	2179.692761	1862.93517	1913.169505	1680.591848	1779.872435	1898.292599	2263.287866	1637.015065
12.69_429.1732m/z	429.1732168	12.69031667	neg													27275.66487	22973.96733	25873.8083	21980.95211	27467.97172	18956.76108	27640.84918	43006.0351	53036.55734	15199.94973	28246.82807	56527.2709	38593.37077	30243.67317	27449.36733	23264.0342	25053.85891	26155.03074	28885.54943
12.69_465.2230m/z	465.2230359	12.69031667	neg													414.212056	455.36727	630.1882248	1014.587131	737.7379205	700.4758062	380.8948649	1015.223897	1980.372507	398.5944574	230.7960117	1648.043278	825.0896262	854.386884	575.8832091	175.3237633	728.9802229	608.6900359	613.9639531
12.69_479.0165m/z	479.016481	12.69031667	neg													3756.880019	5008.130267	4741.249086	5467.461549	5483.871515	4356.287433	5379.699543	5408.606611	5366.042152	4184.466407	5391.037965	4604.530777	4679.684184	4125.320392	5088.619777	5092.600051	4697.682695	5911.616612	3756.635622
12.69_601.0290m/z	601.0290225	12.69031667	neg													17873.69796	15364.58098	16004.62251	15966.1858	16020.80906	17735.12465	15819.61287	16570.02806	15888.80626	16396.33522	18641.24839	16050.25665	15696.14853	15363.82365	16264.23142	17729.61657	16397.37647	16613.42914	13514.31134
12.71_287.0320m/z	287.0320222	12.71043333	neg													931.8585496	844.8105226	901.927885	1058.456514	1228.466377	1152.802651	1421.330167	1317.962802	1068.415325	1209.273313	1212.193027	1299.201294	989.2669934	1086.449903	1228.186521	1177.665229	972.8981295	1025.383218	1096.739686
12.71_371.0138m/z	371.0138001	12.71043333	neg													2718.217737	2696.020222	2908.8889	2629.478762	2615.418779	1991.209242	3054.926493	2798.720849	2975.207192	2910.044613	3469.767992	3254.626427	2846.756304	2007.288688	2633.331258	2873.318244	2537.745611	3133.438533	2550.335265
12.71_428.9984m/z	428.998389	12.71043333	neg													1899.216953	1500.298445	1142.329129	1942.899768	848.0477516	1518.762523	2548.600933	2589.688438	1380.460038	1998.665918	1874.630381	982.6683791	1391.778849	523.4968769	1097.547121	1413.426656	1568.835778	2386.278443	1736.082202
12.71_445.0118m/z	445.0118274	12.71043333	neg													6489.511714	4899.429077	5271.708508	6447.623116	5418.235007	5563.31087	5554.286328	5331.168141	6477.480096	5115.586684	4935.55614	5710.648837	4881.263462	4032.545593	5021.371296	7332.209886	5132.47481	6099.860399	5055.940017
12.71_477.0165m/z	477.0164737	12.71043333	neg													9075.008047	7894.352976	8094.536444	9343.895489	8335.918792	6682.52601	8606.549259	8877.32486	7693.840514	8404.151108	8595.682082	8360.659615	8146.363212	7493.697652	7636.723216	8030.007144	8241.677431	10429.85292	7355.97954
12.71_518.0368n	499.0189479	12.71043333	neg													24830.29202	23336.81409	23707.00637	24049.09101	24216.78744	23692.94064	24413.02852	23075.14529	24194.74816	24008.44404	25862.32971	22269.2917	22294.34939	21659.10964	22297.80496	22934.75881	22198.17946	24577.46778	21724.68448
12.72_455.3447m/z	455.3446993	12.72416667	pos													25243.48077	18470.40678	26686.14439	28145.31046	25578.70895	21762.11266	25560.83269	21252.14661	23473.83372	25414.93463	26862.00469	17077.95852	18778.32447	23998.3558	27092.05412	20924.71606	34833.80194	34099.62214	28319.34522
12.72_455.8461m/z	455.8461387	12.72416667	pos													8378.361697	7520.209472	12057.27378	11792.20732	12258.58983	10767.34855	11518.33724	10510.45139	11656.48771	11371.75006	11361.20093	7990.792344	10513.11247	9980.444191	8231.873305	10895.35318	13840.06382	14707.77044	11228.13187
12.72_457.8220m/z	457.8219828	12.72416667	pos													30724.14338	18711.222	30188.27343	28038.52706	28356.57185	28423.61156	29070.83253	32817.10698	30375.35696	31300.96632	33570.69195	21916.11822	23444.06768	24550.88709	25149.03782	25851.32213	36071.74187	40545.33549	31360.61392
12.72_458.3240m/z	458.3240102	12.72416667	pos													5439.430129	4688.104894	7886.243443	8164.640387	7180.14194	7979.835155	6901.643761	6561.800305	5878.808983	6001.795139	7306.06226	4982.04517	5061.086644	5235.609311	3748.076497	7298.407515	9353.240057	9102.999162	7375.339457
12.72_605.4222m/z	605.4221859	12.72416667	pos													19598.84096	20476.92291	20765.15028	19209.49241	18092.88415	20552.60478	19985.50311	23388.30282	21656.27581	22673.7199	22172.44851	18289.72031	19834.24631	18698.64517	17593.44352	18521.15411	22241.69104	19732.81519	19610.53259
12.72_878.6957m/z	878.6956551	12.72416667	pos													12678.91048	15069.18661	14983.33113	15967.09658	11654.9464	18075.72751	12252.5658	19711.8446	20088.04954	20502.93155	14780.3313	13769.06688	16512.01546	16937.25575	8090.174296	11904.79969	13485.48905	12627.30851	11130.00941
12.73_268.9851m/z	268.9851445	12.73208333	neg													1658.148013	1784.119988	1705.900771	1675.54454	1731.081208	1390.810939	1658.188419	1921.313673	1616.758963	1781.928556	2008.270713	1599.169562	1844.733884	1601.46326	1613.129557	1823.878491	1740.759655	1743.425066	1855.93135
12.73_322.0055n	302.9876187	12.73208333	neg													7160.709484	7046.75786	8191.832592	7850.233962	7860.394862	7134.158188	9236.801994	7696.812286	8744.765912	7241.606003	7640.01803	8294.543212	8129.035363	7710.354573	8205.476014	8373.268271	8111.643924	8132.992444	8819.127353
12.73_345.0167m/z	345.0166565	12.73208333	neg													1629.299357	1529.899217	1504.621071	1745.318607	1456.805814	1384.402139	1803.098827	2042.259268	1612.905142	1316.476562	1502.715575	1442.494743	1462.047014	1358.219391	1616.664178	1584.741732	1369.009992	1373.04905	1665.318908
12.73_367.2462m/z	367.2462238	12.73208333	neg													971.8712525	957.1347251	811.7192479	1276.544211	685.5654256	930.0835557	786.7962006	485.4961472	684.3603119	590.3031311	1038.146062	934.2956834	1156.905306	1084.115237	1153.253531	979.6957178	685.5890397	683.0517322	724.6726884
12.73_413.0051m/z	413.0050964	12.73208333	neg													9570.89356	8576.457967	7812.586879	9483.674147	8243.952484	7640.757353	8188.753003	9516.867683	9759.461879	8752.425897	9964.064695	7982.230941	6909.638685	8764.615246	8181.557714	8610.349171	9120.150546	10483.96408	8242.46654
12.73_587.0134m/z	587.0134139	12.73208333	neg													9082.364449	8756.001631	8678.281746	9332.997268	9699.459016	9770.24619	10178.75328	8987.042731	10569.25196	8250.769885	11364.79396	9524.65935	8435.24688	7790.855972	9066.148864	7737.533297	7396.74833	9238.447469	8102.828967
12.73_835.1336m/z	835.1335695	12.73208333	neg													21381.40554	15894.43101	18485.27195	19160.52619	14903.91004	15115.39969	18165.41389	17926.70755	17070.90668	15502.7204	17546.46437	19753.52745	19395.10014	18591.62323	17227.02634	20511.22294	17472.50764	16486.44359	15103.27553
12.75_301.0113m/z	301.0112951	12.75356667	neg													3600.260765	3194.123455	3621.134248	3969.493109	3637.134638	3685.181208	3647.770894	3820.34663	3827.088299	3680.51965	3915.462401	3789.345492	3472.119974	3763.263955	3503.0643	3439.583154	3590.252774	4182.545222	3168.337681
12.75_315.0070m/z	315.0070196	12.75356667	neg													1925.465163	2233.499072	2401.069255	2436.250798	2352.169726	2732.640791	2386.044285	2317.280324	2596.720545	2238.326961	3074.819796	2370.55244	2185.262411	2155.924314	2396.786113	2544.55407	2191.415154	2022.940327	2400.180316
12.75_342.8723m/z	342.872297	12.75356667	neg													5919.887105	5854.659108	6552.582655	6840.62007	7047.598206	6400.819802	6808.482696	6792.92566	6529.817028	6340.975632	6761.48806	7671.928625	8176.746749	7829.950816	7104.992444	6791.404856	7304.681973	7232.447381	6919.724065
12.75_350.9886m/z	350.9885586	12.75356667	neg													1761.361357	1685.798662	1587.767044	1708.468471	1657.279743	1387.194124	1785.055289	1669.302704	1943.210168	1967.243655	1996.613148	1820.884416	1514.662	1637.935825	1866.132409	1657.091364	1841.43803	1359.184998	1426.189094
12.75_917.1363m/z	917.1362738	12.75356667	neg													35466.18075	23342.26039	27890.48297	32849.47856	26654.434	27715.35238	31833.87274	28797.30129	28523.18419	30842.47727	28560.44479	30387.45609	34040.63074	37330.64216	34302.91894	37977.02273	33325.00831	28681.32882	27017.31499
12.76_433.8331m/z	433.8330567	12.76438333	pos													11214.88369	8561.009125	11718.53362	13488.90166	12521.74183	10878.62797	11191.13785	12113.43343	12783.88244	12816.0803	12101.12852	9010.389689	9918.669174	9880.336151	10606.28035	10195.07053	17624.15184	18915.06404	15863.92376
12.76_438.7884m/z	438.7883932	12.76438333	pos													3119.89514	2398.110926	3506.048665	2917.347277	3816.536416	3292.137784	2269.289776	3387.720376	3152.139282	3142.660803	3267.689552	463.7729046	2819.684323	1438.171811	2024.135109	3074.743606	7261.654219	4392.521148	3371.548554
12.77_239.0667m/z	239.0666844	12.77473333	neg													3261.834937	3151.038894	3302.346263	2596.263162	3453.360901	3152.088672	3582.918968	3240.198425	3531.23129	3307.058454	3406.203301	3259.415868	3863.278761	3047.099492	3279.694784	3798.357626	3642.300396	3787.523508	3044.208183
12.77_452.9981m/z	452.9980852	12.77473333	neg													3517.32478	3463.964382	3343.427474	3246.866376	3846.992457	4171.749053	4110.381458	3588.948434	4429.522217	3127.864842	4422.803835	2693.766715	2337.301779	2761.849972	4250.465834	2955.278975	3027.197722	3082.432263	2446.589383
12.77_493.0124m/z	493.0124192	12.77473333	neg													7947.420411	9141.252423	7678.284602	9107.013069	7888.123616	9294.95672	9185.723058	8775.760877	10941.99571	10251.23878	11174.43037	9056.333333	8031.532652	9930.056278	9017.078639	9946.450169	9037.518915	8939.741338	7937.622645
12.79_261.1303m/z	261.1302805	12.78598333	pos													18962.75889	15481.75798	21176.96374	21103.27046	18331.06627	20550.44742	19303.4371	19317.75569	20221.00341	20935.24148	20188.22686	16389.76298	19732.7542	19532.29333	17732.44487	20415.33337	21017.1125	21301.15502	19634.52494
12.79_296.1822m/z	296.1822481	12.78598333	pos													3116.475077	2832.873461	4357.771029	4323.674963	4336.085514	4318.400468	4134.030511	4282.783001	3433.931557	4028.369589	3945.692447	3648.059906	3593.763599	3319.389208	3837.707811	4525.995972	6614.416649	5395.376028	4636.670479
12.79_414.2978m/z	414.2978085	12.78598333	pos													12134.94338	7332.474463	11796.10854	10429.73912	9316.146945	11180.43538	12543.50531	9565.493111	9933.417814	9954.76457	9918.60219	5805.396475	7014.31489	7974.256745	8678.212377	11857.70687	15515.02046	16801.74486	13715.60459
12.79_804.6018m/z	804.6018467	12.78598333	pos													111161.4849	116615.7689	126172.0436	112719.2627	121072.1142	113242.2978	110169.1951	121582.9749	118146.5437	122249.2346	120131.4106	109937.3246	131535.6871	96351.71812	123103.3944	115395.9967	192680.2302	185249.8045	148024.5912
12.80_106.0394m/z	106.039436	12.79566667	neg													563.6452367	352.4919764	584.6827579	0.000297236	435.0598874	28.02344699	1055.653334	71.27070213	0.000297236	0.000297236	0.000297236	1449.184665	191.6705677	897.5285146	1098.244496	148.6921097	912.6830366	394.3414363	30.79536457
12.80_109.0392m/z	109.0392053	12.79566667	neg													43.83527483	54.45291279	74.23815155	0.000297236	59.84848587	0.000297236	72.8518671	0.000297236	0.000297236	0.000297236	0.000297236	145.7117853	32.25858456	179.1700206	136.7813336	0.000297236	73.54242257	108.1709022	0.000297236
12.80_287.0118m/z	287.0117704	12.79566667	neg													1569.750218	1566.461625	1484.541091	1431.220503	1368.526104	1407.776886	1344.819082	1415.814167	1442.827166	1675.644637	1519.381045	1186.842373	1522.07015	1626.622711	1518.373565	1697.682578	1481.56507	1450.242964	1474.117843
12.81_401.3446m/z	401.3445968	12.80621667	pos													8842.469552	9835.263405	12819.07019	12749.33079	11356.02727	10830.94305	13167.21151	12884.00683	11170.42341	9091.639106	9584.820215	13486.62177	13510.94153	14079.50344	8378.242229	16116.16299	14163.52283	16126.15765	13001.56788
12.81_817.5860m/z	817.5859533	12.80621667	pos													59358.70318	75880.33419	68424.06016	53306.32488	61949.01656	53220.60204	54357.70529	46766.09983	69109.50051	66411.51648	68575.46336	70085.93965	53272.1788	87463.09651	62021.80318	49551.11811	52152.11288	76192.35828	65028.68758
12.82_233.0033m/z	233.0033435	12.81668333	neg													1027.283457	1091.022233	913.1094708	934.9950589	1004.597661	1380.248313	1038.107745	1202.565564	861.2385337	856.9746586	953.1865712	1122.500555	933.7843864	951.7725165	976.5620019	1003.994117	885.4871088	981.0292521	791.0946164
12.82_299.0127m/z	299.0126535	12.81668333	neg													959.9562158	1086.210806	1152.222346	1115.094993	1051.30302	1124.934648	1388.474135	1185.135273	1023.114355	1225.227009	1292.339274	874.9378567	957.5140526	1028.03796	1268.331391	1240.582587	1215.150887	848.4097012	761.9418291
12.82_388.8780m/z	388.8780446	12.81668333	neg													5413.477287	5234.771324	6469.446228	5786.816562	6272.931024	6070.026216	6254.044005	5735.980952	5262.716932	6122.083012	6399.456003	7161.120704	7760.656782	7556.401746	6406.500742	5781.767021	5853.912392	7047.31	6263.311366
12.82_415.0203m/z	415.020307	12.81668333	neg													3938.061746	3637.235137	4121.930155	2961.798781	4189.261821	3706.733764	3208.705109	3326.552404	3374.042819	3832.459035	4748.259903	3878.330894	3142.191644	3522.934181	3759.632944	3324.575833	3336.172523	3629.795134	3961.36587
12.82_447.0259m/z	447.0259159	12.81668333	neg													3288.883942	3077.079384	2817.783061	2893.674579	2629.21172	2977.794063	2560.379144	3261.933198	2520.296604	3264.703674	4414.348079	1754.358991	2769.465288	2730.761418	3272.023247	1633.827101	2683.614673	3199.220076	2958.632548
12.82_529.0112m/z	529.0112376	12.81668333	neg													3016.034595	3283.252364	2852.922564	3989.245644	3500.237959	4225.795802	3943.490783	3775.057549	3976.921763	4027.068025	3960.846002	3147.146787	3526.335335	4019.306891	4171.000192	3497.311708	3121.569652	2695.487696	3882.514581
12.82_907.0965m/z	907.0965167	12.81668333	neg													18985.03814	11404.47866	14065.04943	11969.07247	11358.58589	12441.0372	11296.54394	11748.15949	14272.03775	10918.68905	9579.257038	13652.47944	13273.24149	11101.64619	14371.7704	15539.98539	14620.76707	13101.61911	12482.42408
12.83_371.3156m/z	371.315614	12.8272	pos													29624.13423	36623.03443	24361.80635	29463.98107	25329.20856	28055.5128	23497.14884	26041.77932	25866.08142	27869.48408	26745.67539	38801.33431	29211.40339	30734.4896	48047.28599	61401.99861	24982.286	16749.68187	22545.42947
12.83_769.0514m/z	769.0514136	12.8272	pos													2538.010721	3955.594796	4063.939362	823.3874925	2474.199509	994.3114795	2066.949451	2471.375137	4554.107624	6913.351744	4624.651387	0.000297236	0.000297236	2773.92628	3537.795191	9316.499142	10745.04509	4151.429069	2049.010963
12.84_497.0230m/z	497.022971	12.83785	neg													7949.056671	9346.29507	8715.504896	10149.95417	8072.17288	9974.271252	9805.396936	8152.879294	9579.437604	9862.472036	9036.342069	9348.866311	8753.372117	9072.957198	9695.701491	9437.702213	8597.885908	9007.107237	8296.840372
12.85_679.5043m/z	679.5042893	12.84745	pos													14392.25051	19493.45824	18403.64911	21241.10467	17017.53418	21051.04792	27737.07057	28065.85319	32952.02074	27207.12841	23706.37251	65748.08261	68487.98658	99721.94858	48125.26387	46875.67438	29768.32599	29464.64191	25370.33462
12.85_698.5167n	716.550566	12.84745	pos													1753876.898	1608502.907	1661396.558	1675845.218	1665809.006	1622731.82	1686862.65	1815049.079	1785173.546	1850929.704	1698271.355	1802566.69	1584533.022	1660998.715	1746617.411	1875180.286	2348158.46	2281621.659	1875336.773
12.86_298.9955m/z	298.9955048	12.85793333	neg													2553.689404	2382.871645	2343.842725	2846.74908	2047.214625	3001.471706	2385.82228	2822.656439	2880.323895	2715.814907	2702.97236	2606.052182	2747.91155	2598.136084	2758.436207	2495.389093	2280.570278	3147.425506	2390.080586
12.86_320.8905m/z	320.8904687	12.85793333	neg													74829.32463	80809.19592	82561.82313	84187.6792	82120.27624	86831.09253	86831.31488	88754.13059	86733.12556	86102.64037	90879.88557	90423.96753	99844.03563	93316.49129	90041.05268	83698.55682	82521.95086	92738.31794	84639.57557
12.86_399.0259m/z	399.0258976	12.85793333	neg													1524.30001	2173.756221	1637.106281	2221.207224	2741.502502	2643.096323	2168.05016	2288.504317	2403.508692	2187.511431	2113.954112	2457.738133	2427.873114	2139.533802	2849.016655	2328.488058	2239.577726	3007.772763	2426.738753
12.86_411.0075m/z	411.0075047	12.85793333	neg													7288.597727	6705.383471	7182.231935	7343.535808	7048.741214	7847.201229	7892.315989	7964.469566	7847.7108	7378.572178	7170.711671	7595.227629	6719.916704	6459.143048	7591.970938	7529.086668	7121.603135	7187.719882	7835.230431
12.86_443.0136m/z	443.0135563	12.85793333	neg													4212.716323	3763.061882	4268.778091	4085.910195	4389.854451	4836.218749	3725.988683	3536.956756	5070.356363	4478.321928	4222.739414	3750.303147	3866.055869	4634.41591	4486.303288	4724.724549	4181.179405	5055.178988	4449.302735
12.86_873.2048m/z	873.2048395	12.85793333	neg													3939.488956	2437.103985	4057.999731	3813.511819	4041.147496	6018.066717	3926.837181	2359.301939	3543.549815	4560.74246	2531.731135	3557.46906	4669.707859	3657.740827	5813.131127	7263.403476	3916.981633	4390.1683	3180.57154
12.87_548.4101m/z	548.4100614	12.86786667	pos													5851.21002	4826.150407	6004.550018	7521.786353	7174.444173	8036.835631	6501.921718	7900.872657	6097.219537	7518.764612	4895.674858	7966.631715	5827.165145	7737.434142	6790.145412	5234.229658	8613.753784	8293.966017	7566.793349
12.87_819.0659m/z	819.0659234	12.86786667	pos													67123.51619	67279.66079	101486.685	97098.69201	74649.51211	76567.55293	77987.57844	76680.74789	86952.93235	95445.50872	110882.3009	88366.24761	73539.1982	145663.8403	133672.0753	83624.05746	98664.77528	107220.9968	100259.5483
12.88_439.0197m/z	439.0196784	12.87805	neg													3274.886937	3032.670408	3089.257783	3352.496323	2875.014621	3636.996416	2550.447845	2905.538509	3187.702534	3294.382766	3024.963316	3642.294888	3459.727765	2623.33019	3953.830932	3038.403184	3548.357075	3876.217148	3266.74823
12.88_453.0165m/z	453.0165472	12.87805	neg													6584.883308	5238.234982	6146.216802	7220.969382	6579.953798	5158.226785	6379.324048	6766.943878	5891.984987	7407.592072	7065.516568	6654.735358	7074.35669	7090.177123	7101.388428	6130.129796	4769.48054	6094.874759	6739.067251
12.88_880.4810m/z	880.4810452	12.87805	neg													3754.288404	3125.077368	2752.642104	4655.974258	6031.284064	3264.056187	7897.015235	3956.836345	3217.550748	5942.590115	2333.74998	0.000297236	2978.526258	6802.906502	3273.301877	6171.940239	3916.976404	3249.667111	2290.391204
12.89_283.1744m/z	283.174375	12.88735	pos													34609.18513	30279.99985	30902.20347	30720.3281	29176.43386	28540.96981	32678.68083	32989.62508	32065.96007	33164.29733	32613.87217	32617.99136	30953.72016	30005.21513	33915.63996	32622.65698	33099.7746	34657.55812	31072.98057
12.89_654.4904n	672.5241893	12.88735	pos													2832831.554	2753350.28	2734735.415	2716953.48	2656149.508	2642006.446	2774406.854	2910383.758	2865519.138	2859569.932	2806831.514	3129156.89	2880362.613	2966414.692	2943472.849	3057303.148	3659153.626	3609822.446	3090800.13
12.90_287.0118m/z	287.01182	12.89776667	neg													1363.489687	1615.022589	1550.443119	1462.902277	1535.552361	1493.151514	1571.79012	1474.437833	1572.730721	1573.410716	1697.349138	1592.587989	1642.060358	1442.969205	1395.313931	1501.486578	1661.940225	1626.728527	1623.125065
12.90_312.9916m/z	312.9916442	12.89776667	neg													4741.643363	5103.739954	4844.843709	5027.532301	4845.177183	4278.588551	5151.628874	4539.461207	4937.835911	4863.663313	5049.191869	4496.152977	4616.530176	4555.180944	4389.777124	4372.107265	5014.241513	5136.634609	4829.223482
12.90_365.0040m/z	365.0040395	12.89776667	neg													5287.420079	4760.540653	5471.115707	5966.232652	5198.117366	5322.634143	5584.150561	5800.48309	6417.313645	5311.797285	6628.069283	4857.211909	5548.788751	5335.366426	5552.035704	5574.182103	5525.242687	6074.476386	5373.816755
12.90_397.0097m/z	397.0097394	12.89776667	neg													5917.188225	5442.943819	5512.178391	5816.32721	5749.137598	6620.255771	5986.145804	7370.890161	6422.551863	6827.205617	6621.962088	3710.556081	6195.433689	5681.066855	5854.593948	6296.793831	6414.639556	4884.924801	6334.985438
12.90_428.9980m/z	428.9980064	12.89776667	neg													2883.459536	2004.83043	2019.476076	2771.58709	3070.549916	1664.643972	2413.479003	2299.481941	2797.340289	2976.241571	1918.281533	2616.936412	2495.646737	3145.533349	3155.458324	2754.442976	2729.466936	2292.413148	2631.573397
12.90_457.0103m/z	457.01028	12.89776667	neg													6970.255329	6054.590258	6852.860323	5829.056131	8048.788288	6996.348213	8717.07055	6489.064616	8183.550644	7380.932118	6966.47374	6146.252803	8023.68251	8154.785904	7051.763002	7824.518396	6024.948788	7826.913037	6503.920356
12.90_485.0053m/z	485.0052939	12.89776667	neg													9112.261242	10346.80704	8375.51574	9992.931012	8183.854263	8915.805506	9847.420726	9173.589762	9010.650756	11462.0662	10543.29166	8970.118672	9254.302042	9272.937861	9893.531268	9858.07887	9785.938009	10994.52578	9090.676877
12.90_495.0102m/z	495.0102338	12.89776667	neg													4550.026569	4641.909082	4234.539001	5452.471278	5226.090879	6973.361843	5102.328606	5009.059135	5710.367406	4755.723334	6569.837022	5423.702826	5045.296125	4459.331575	5994.066446	5257.075453	4457.090348	5363.06811	4318.622814
12.90_517.0125m/z	517.0124736	12.89776667	neg													8145.808359	6776.734057	6876.169359	7965.363919	6298.134146	6633.810114	6466.428173	7089.84243	7430.592894	7585.87642	6380.065153	6152.390046	7547.197903	8755.719019	7665.425297	7346.307216	6577.469476	8638.372104	6698.778606
12.90_561.0181m/z	561.0180871	12.89776667	neg													12690.08973	11705.69241	12520.96542	13025.61983	11997.55726	12252.26635	16092.13041	10783.38275	13015.65813	14430.16679	11292.56797	10558.91368	12026.66645	11823.94208	12873.37007	11658.98563	10672.06316	14508.22825	12251.48242
12.90_922.4909m/z	922.4908703	12.89776667	neg													251419.4577	193622.1132	261953.0273	294353.9385	309002.4995	326539.4995	282552.8886	371284.196	339048.9354	378509.8644	376708.9938	262918.8956	73198.34492	277768.9461	342822.3596	275430.3688	341050.6971	364148.6169	301246.4092
12.91_239.1483m/z	239.1482933	12.90585	pos													86228.10012	68259.47522	82591.79308	84968.09138	78092.16194	83846.25237	84920.01007	85690.71347	84124.70283	83826.51502	86867.13539	79435.33179	81192.99904	77897.19612	84506.52264	90009.68149	81710.33574	87033.45005	82205.80581
12.91_610.4642n	628.4980637	12.90585	pos													4798490.038	4877835.895	4697681.338	4603922.951	4513298.427	4530257.281	4630579.32	4980019.188	4840244.775	4765794.771	4794260.829	5151529.081	4717001.982	4695051.766	4950226.201	5238168.455	5886573.167	5999332.364	5097354.031
12.92_224.8027m/z	224.8027186	12.91935	neg													2494.695219	1881.835353	2149.327945	2294.068303	2025.024977	2115.117121	2368.013635	2121.821643	2107.863185	2337.478018	2373.868481	3033.005486	3219.416862	2841.085168	2787.414114	2579.124703	2458.675079	2611.648962	2744.608922
12.92_416.8732m/z	416.8732355	12.91935	neg													2488.175557	2028.356319	1939.730824	2766.849542	2824.005403	2652.05622	2617.538319	2098.95925	1724.695169	2525.235323	2662.60897	2668.439826	2976.141626	3010.308289	3180.419768	2416.802264	1934.069251	2939.070088	2606.26442
12.93_151.0962m/z	151.0962195	12.92566667	pos													138075.881	100057.877	134828.5883	138409.9033	134949.2924	137296.9875	138739.0088	140337.634	136428.9823	137370.5938	141554.8483	112173.938	128696.0952	121179.4453	132410.7416	143527.5922	139488.4712	140903.0295	137089.6446
12.93_366.3476m/z	366.3476285	12.92566667	pos													13436.61455	12479.30767	17018.16844	17601.41799	17265.63425	16869.18086	17783.94978	19692.65115	19273.6282	16168.49303	17394.43339	12190.69101	15831.11549	15810.68297	14487.40348	15687.9578	17771.5628	19287.0248	18946.35477
12.94_331.2549m/z	331.2549471	12.9408	neg													558.5622796	334.4995582	492.8712358	316.9700373	158.7310967	225.4502653	453.6100247	966.594447	1939.498604	0.000297236	189.78445	1104.168647	348.8028601	371.2528179	379.2270746	350.621055	121.4792794	369.0933036	220.9828243
12.94_363.0074m/z	363.0073591	12.9408	neg													2852.23055	2886.859696	2563.901474	2732.139145	2824.504368	2782.640359	3058.605092	2893.397049	2975.285935	2608.367157	2404.98912	2135.484728	2731.610324	2328.883975	2282.479675	2596.110072	2526.330372	2902.181689	3233.763193
12.94_374.9893m/z	374.9892889	12.9408	neg													4807.573018	4801.936022	4276.379214	4638.111666	4430.983759	4551.250108	5438.372878	4558.27617	4736.382073	3952.21227	4655.120358	3744.655734	3923.324054	4327.477961	4942.831515	4602.758219	4819.540363	4816.352183	4821.436594
12.94_396.9915m/z	396.9915032	12.9408	neg													2314.473221	1771.47934	2353.198775	1877.544695	2469.451092	2480.815934	2384.915822	1173.764009	2419.142872	1768.044625	2557.426135	1919.55496	1267.397203	2542.477534	2242.402305	2456.224562	1408.892623	2764.539866	2874.132707
12.94_471.0099m/z	471.0098734	12.9408	neg													7442.784703	6072.890444	6679.473767	6876.710568	7370.98378	6517.653469	6766.86117	6968.841108	6907.762354	7481.296159	7064.687128	4985.392861	6347.8957	7371.085924	5742.170644	6504.658845	6164.131949	6926.156123	7328.215743
12.95_566.4382n	584.4720661	12.94513333	pos													6998260.154	7044769.613	6762823.355	6698459.88	6657585.42	6538584.692	6764624.288	7205676.976	6984714.56	6978197.586	7100964.268	7410380.191	6980542.613	7008542.223	7301408.291	7614161.644	8203319.788	8430032.442	7327226.679
12.95_605.4029m/z	605.4028987	12.94513333	pos													25684.9214	35625.77714	27032.6582	20708.31636	24592.68092	20327.0905	21198.94927	25784.51998	23633.58978	19148.2077	28873.02686	34387.71997	28739.52934	27112.80484	25258.46764	24919.42373	30255.9459	32340.47836	27172.45684
12.95_612.5013m/z	612.501296	12.94513333	pos													15920.8363	9192.906397	12142.14711	11925.80062	9038.621079	9195.865747	12963.42347	14620.46161	6341.089607	12625.59509	17170.51241	10343.87904	11031.68981	10160.86279	11729.74521	12487.07896	22080.45603	18748.50188	18063.9057
12.96_369.0169m/z	369.0168622	12.96181667	neg													9863.968466	9340.612342	10064.06715	10392.898	10818.54225	10273.31184	11246.17115	11115.24776	8791.402705	11049.379	10428.1517	10305.73388	10651.87924	10209.94391	10373.954	10198.22016	9806.39051	11493.22217	10654.68812
12.96_503.0158m/z	503.0157595	12.96181667	neg													5735.058783	4769.444491	6129.859207	5776.63075	6132.650578	5349.536024	6813.618218	6011.87444	5421.625186	7460.899384	5551.580838	4006.546546	5907.642764	5386.383065	5307.633492	5290.127076	5817.991873	6640.86592	7228.866396
12.96_601.0291m/z	601.0291418	12.96181667	neg													20266.97355	19549.17466	20810.76827	25584.15967	21430.50391	21555.30656	24561.66023	21617.07321	23692.22963	22597.99388	23384.92325	23145.65669	23537.46509	21628.33914	21856.88604	22228.30727	21395.45878	25869.82024	24676.76201
12.96_945.1671m/z	945.1671097	12.96181667	neg													37389.80783	26133.45775	26693.94406	27792.17976	26692.38715	27307.85922	29855.58408	26447.47945	30901.05704	27692.77001	24390.90133	32089.88294	32319.1475	34692.50255	33615.63811	29735.53436	35151.95515	33639.2708	28412.36461
12.97_522.4123n	540.4460814	12.96666667	pos													9247626.479	8836851.931	8844835.235	8865176.718	8774802.814	8730344.999	9033307.636	9490360.614	9135800.129	9050507.081	9515291.606	9458098.115	9099528.719	9204494.027	9460808.823	9763713.223	10456576.96	10596537.59	9618454.679
12.97_543.4544m/z	543.4543611	12.96666667	pos													28629.7742	26210.78288	25142.73328	24518.10103	24623.7534	26141.1474	25822.0301	29916.71499	24309.53235	25949.18974	28293.20238	24270.93633	23216.21448	27056.93452	24721.43968	26249.10137	32780.1657	31350.27505	28982.09125
12.97_568.4765m/z	568.4765495	12.96666667	pos													40336.00479	40131.90982	37229.35674	39662.00983	44832.45072	36583.55822	44558.61263	44266.84705	35170.02366	35129.75862	43831.47317	40640.1031	36592.83276	33917.23793	42634.56493	40982.49978	44557.41126	49971.57814	51841.07115
12.98_216.9923m/z	216.9922821	12.98335	neg													1409.187487	1174.320654	1225.630264	1591.054664	1394.820502	1349.168055	1573.079633	1612.495763	1387.135223	1405.606723	1601.353398	1039.615797	1289.462668	1501.836994	1432.556115	1545.952149	1381.640693	1098.44113	1653.405861
12.98_348.9923m/z	348.9923197	12.98335	neg													2082.859907	2412.438315	2527.94936	2484.439995	2802.498471	2107.788139	2315.754473	2494.191954	2666.616745	2991.011489	2734.206495	2275.675333	2317.525674	2578.569746	2606.988563	2885.960754	2205.730445	2651.885415	3053.016266
12.98_418.9963m/z	418.9962971	12.98335	neg													4464.476923	3033.81814	3888.184141	4190.164476	3353.425063	3567.590255	4311.251508	4338.548517	4119.253278	4535.48827	3785.756833	3120.759241	3963.802395	3284.7579	4371.406808	4015.670072	3932.597418	4203.185819	3617.353427
12.98_431.0138m/z	431.0138015	12.98335	neg													6795.985447	6602.749253	6083.926656	5560.710192	6403.151114	5205.202597	7832.149519	7415.662671	6629.915917	5825.909422	6957.59178	5074.105031	5829.894477	6809.408904	6830.609563	5445.040093	5590.802476	6688.04862	6911.255931
12.98_441.2525m/z	441.2524608	12.98335	neg													10148.28851	10747.06879	11809.21269	4073.694924	5118.691574	3819.886142	3691.606781	2677.685975	3032.425823	3059.253221	3884.183877	4965.143117	2942.48226	10452.34361	4194.008414	2452.486269	3775.493086	7555.758502	4874.096648
12.98_492.1821m/z	492.1820655	12.98335	neg													732.9286184	787.2246078	578.7198257	1092.926026	705.6378193	776.24312	880.304493	978.2287265	1571.59889	289.1099725	956.5552628	1442.591991	1318.905966	1704.540259	1069.802532	1084.066182	608.9933707	789.7537793	1196.595672
12.98_551.0307m/z	551.0307127	12.98335	neg													11052.06461	10762.9777	9609.512226	11938.21679	13229.17861	10851.31398	12130.48162	12138.59383	11174.67678	12282.40694	10877.35861	9420.085206	10355.23555	11022.38855	11277.7436	9649.853495	9734.485197	11023.10792	12445.57595
12.99_499.4288m/z	499.42881	12.98641667	pos													12102.72677	8050.016858	10194.405	8961.41777	9102.191377	10855.59003	10490.03241	11403.5909	7283.258803	9563.048635	10668.96659	10014.49676	8518.679515	9794.334228	10242.44156	11287.30929	12275.58872	11910.94311	10811.29317
13.00_299.0133m/z	299.0133247	13.00416667	neg													1803.813296	1696.609416	1903.700173	2130.78768	1884.194854	1735.486532	2249.128906	1832.986356	2032.450074	2425.586333	2209.339202	1768.787627	2080.018919	2175.472347	1995.629466	1635.93491	1859.841403	2020.504133	2171.963271
13.00_479.0156m/z	479.0155527	13.00416667	neg													8704.730205	8337.73154	8036.91861	9130.117575	9358.320419	8976.666916	9793.239995	9298.882454	7366.026067	9190.515367	9609.637953	7862.207717	7101.967274	8015.69345	8354.821481	7388.89123	8002.911495	8108.554406	9444.806073
13.00_495.0096m/z	495.0095825	13.00416667	neg													4534.598966	4838.440863	4567.971639	5629.196508	5271.515366	4946.477941	3810.086682	4027.559814	4805.713957	4692.078756	3732.843349	3494.070227	3406.47623	4559.156156	4529.612765	4112.451883	4403.92379	3961.94385	5264.801264
13.00_917.1358m/z	917.1358365	13.00416667	neg													10583.18164	8013.652385	10511.58981	9126.071742	9021.861484	6206.914152	9108.477603	7110.601089	8457.599929	8230.130901	8512.220636	11836.13457	10209.74533	9818.857762	11877.56076	10575.77979	9299.855458	9984.182509	10808.84586
13.01_100.5102m/z	100.5101559	13.00628333	pos													19362.39978	24122.41409	19784.48191	19576.40742	19077.61726	18117.30985	19267.54883	20001.23096	19120.27087	20611.10458	19027.16456	24631.7772	21786.96521	21229.77343	22795.69073	22529.99227	21676.93719	19753.93907	18757.00538
13.01_120.0255m/z	120.0254648	13.00628333	pos													27616.97273	39253.72841	29834.01064	30153.90092	28302.82424	27946.71623	29031.0681	28600.23709	29277.19243	28088.84717	27783.64386	40645.89738	35103.27265	34180.41468	36475.72769	37117.20979	34285.42963	32396.46474	30134.22077
13.01_434.3598n	457.3488733	13.00628333	pos													13606884.19	12329178.63	12759159.35	12756351.88	12622057.97	12935153.46	13031980.09	13559930.1	13439159.96	12843853.17	13681263.23	13129278.99	13237566.44	13295597.13	13572047.81	14265694.55	14008255.33	14162037.99	13293136.82
13.01_437.3688n	460.3577721	13.00628333	pos													34420.42942	26718.29532	28144.21257	31571.98695	29714.87446	29565.10171	34431.73701	32642.65941	32999.46121	30428.14631	33980.8818	29196.80034	33106.33233	31722.4821	31656.3885	34937.54026	35249.39139	34690.68276	31371.22562
13.01_478.3860n	496.4198629	13.00628333	pos													11447482.35	10844832.19	10829207.45	10787661.04	10675070.83	10979311.25	11143310.42	11567213.42	11219186.38	10955978.81	11624962.04	11427202.56	11295256.87	11303758.27	11503104.3	12058390.87	12348652.45	12524503.92	11653250.36
13.01_480.4245m/z	480.4244676	13.00628333	pos													151338.2583	119966.8954	133932.7667	135008.514	135012.683	141991.9519	144342.4112	143828.9616	148864.5271	132799.406	147637.8756	130031.2342	132613.1438	141795.0637	130521.2372	145039.098	146656.0612	152034.2824	142087.4204
13.01_524.4510m/z	524.4509867	13.00628333	pos													123209.956	107440.842	111548.4368	113830.4517	116532.3147	117076.0736	112933.7703	125509.9456	123744.0723	111475.1062	124540.8594	119141.4616	110405.3162	110436.262	116976.1268	130328.3859	133857.5346	129761.5953	133970.2317
13.03_350.9884m/z	350.9883898	13.02556667	neg													2737.101137	3549.599616	3329.056107	3367.879724	2884.799611	3088.928104	4044.208186	3187.864045	3095.633904	3382.541752	3751.168676	3373.057075	3281.693015	3250.507514	3007.704801	3050.652717	3147.67258	3225.90747	3652.736479
13.03_390.3336n	408.3674219	13.02666667	pos													10687763.42	9343919.446	10395635.63	10525035.04	10249012.13	10369452.4	10459677.62	10715910.44	10636245.26	10232599.49	10859689.65	10124392.05	10605841.17	10590981.73	10827082.39	11409600.69	11002447.57	11145369.81	10604751.69
13.03_392.3398n	410.3736377	13.02666667	pos													217326.603	181824.4664	206102.2765	201875.622	200353.1638	210558.0173	207797.9149	206330.3697	212056.6526	199009.1962	213027.9356	202776.3359	212563.4092	203988.71	204465.4532	218759.51	214132.9212	222726.8196	210942.9355
13.03_436.3986m/z	436.3985933	13.02666667	pos													257099.4578	162713.2445	246409.6597	236012.3759	246057.9471	246024.5277	251027.454	250657.6727	247002.3264	234453.5524	256051.1484	194299.8968	219930.4897	218603.0813	209901.082	246036.0226	242277.7455	252593.2497	251167.2208
13.03_437.3731m/z	437.3731395	13.02666667	pos													15601.74579	14086.282	14305.48584	11524.89713	12166.91434	13032.49741	13884.49216	14182.3356	12676.27128	11933.66548	14292.87708	13250.41961	14019.71501	11634.00677	14848.14769	14105.39709	16181.69186	14476.87815	14378.71593
13.05_128.9953m/z	128.9953437	13.0464	neg													417.7782765	584.513541	447.9979966	438.4681751	498.7240159	531.5436544	616.9737615	546.6518842	517.3782468	486.1868352	586.7691399	421.6199571	473.8870638	477.4215945	595.4126296	613.7160513	520.8104996	483.9869317	401.5614589
13.05_174.8859m/z	174.8858937	13.0464	neg													580.725249	661.7661566	570.8623033	745.9583908	673.3239706	688.3899118	815.8578073	734.6193469	567.1896499	569.6996825	572.8933111	837.2413803	867.3753677	760.8584984	597.8613495	616.770048	657.0303054	684.5593148	788.1416349
13.05_257.8561m/z	257.8560652	13.0464	neg													2099.43214	1824.457304	2363.935211	2484.272129	2674.952196	3020.910035	2364.561509	2257.453174	2434.518421	2133.554302	2080.185602	2298.29801	3010.698317	2495.330849	2992.208094	2738.521528	2435.791368	2795.735259	2899.38199
13.05_284.9975m/z	284.9974785	13.0464	neg													1949.030728	2009.381236	1768.091164	2226.73794	1857.166544	2220.280927	2338.883052	2196.351418	2092.935719	2118.050575	1979.313836	2306.392868	2083.398698	2138.154907	2185.166528	2018.366867	2244.32795	2081.975084	1644.417156
13.05_354.0074m/z	354.0074486	13.0464	neg													131.0767283	122.88698	125.0149408	297.6619491	0.000297236	135.8724973	0.000297236	0.000297236	0.000297236	161.412307	178.7778754	264.9203631	287.3105621	0.000297236	177.9220275	143.193517	0.000297236	184.6194828	0.000297236
13.05_393.3461m/z	393.3461131	13.04641667	pos													20109.02617	13210.36273	21043.93413	21785.98697	22290.5289	21436.61344	23877.27105	23051.77061	18760.98668	19772.43893	20610.72693	16304.88664	16018.89557	16966.82804	17288.72101	18108.41446	20482.50881	22370.28748	21448.06233
13.05_402.0129n	382.9950772	13.0464	neg													5611.589452	6437.611426	7453.276109	6752.048102	6236.240813	4551.833307	8849.966064	5866.696655	5871.779506	6807.547546	6664.711333	6380.986692	6306.922825	6894.681806	6678.345895	6370.958869	5458.119301	7541.559719	7902.440975
13.05_430.7473m/z	430.7472899	13.04641667	pos													110722.5826	107038.9696	135683.4085	139675.0877	118905.397	141129.9566	138807.8081	137149.2709	127645.0779	137265.7879	156700.1376	7773.264732	27022.88949	27798.72064	34860.99096	43580.34001	78632.9483	98312.53407	122614.1856
13.05_493.0124m/z	493.0124382	13.0464	neg													5747.349051	7866.761053	6811.155601	6044.788196	6072.463454	6939.919724	5744.130925	6885.64265	7192.794208	6547.492042	6250.937197	4966.220583	4946.864899	5907.211164	6899.097457	5827.664466	7081.21539	4528.305293	6899.08134
13.05_509.0206m/z	509.0206231	13.0464	neg													5988.58879	6250.798238	6970.846319	7892.111992	6934.98249	4716.926952	7324.181247	7378.746146	7024.374022	7669.297758	5558.295152	4757.062674	5252.82067	7452.43182	6183.364682	7055.895799	5273.192595	6990.179426	7758.6637
13.05_555.0079m/z	555.0079222	13.0464	neg													15108.56209	15883.65326	16690.8434	15660.93562	17748.29947	14011.33816	18808.08717	15104.33555	16581.4948	17211.69521	16732.85813	14395.7578	14938.58322	15828.04454	18258.03525	16323.85121	15667.94769	18037.38272	17586.35146
13.05_587.3733m/z	587.3732551	13.0464	neg													1503.076349	1488.429727	996.8868408	382.139031	3499.190465	1403.521504	2097.516333	4156.866648	4198.118772	1501.919892	1740.94242	318.2958696	1462.461944	431.180834	1130.497711	470.731461	810.5771068	287.3658365	355.4297185
13.07_379.0198m/z	379.0198311	13.06681667	neg													6273.720198	5584.403552	6214.560749	4942.906238	6415.534646	7019.167649	5408.804685	5770.123833	7592.715168	5334.099488	6304.621743	6172.361085	6120.518456	5948.698023	6690.71561	5729.019251	6677.942638	6722.57045	6728.838076
13.07_431.2488m/z	431.2487736	13.06516667	pos													29821.43574	30387.66363	33848.97977	34042.41383	30757.30061	38540.33753	37433.78932	37627.33918	33596.54606	37780.08322	40433.36953	506.3768643	0.000297236	935.424643	1328.013992	7255.215791	16378.4279	29008.4363	33500.27294
13.07_511.0179m/z	511.0179012	13.06681667	neg													5380.646592	6841.941763	6392.632233	5732.215967	5293.104256	6702.050248	6310.803017	5969.952704	5562.792403	6385.097711	7965.18841	6001.404282	5484.314523	5797.432384	5920.004835	5811.119302	3482.702287	7697.721745	6173.656127
13.09_1017.1293m/z	1017.129255	13.0854	neg													8869.637592	7755.675616	6526.614119	9311.416319	8830.006686	11576.56707	6745.408028	9189.500121	7200.675023	8697.375345	6152.15573	7302.699363	10202.58612	8992.854295	8499.398078	11653.1172	7537.964258	8517.567332	8358.351722
13.09_124.9643m/z	124.9643335	13.08538333	pos													1078.414274	1028.457044	888.9095834	916.7203288	995.2901506	816.2073684	969.0592792	934.2387193	707.9291018	912.2199747	852.6161441	1141.519406	1014.071641	982.9590128	1113.106491	1262.522017	941.9004762	1010.338798	775.5942255
13.09_377.2726m/z	377.2725812	13.0854	neg													159804.9212	153368.6762	155492.1386	157753.7504	158450.0185	160696.2207	162296.9522	162509.9633	164978.8928	158550.3564	168195.5917	157628.9273	164486.9921	164077.5208	162542.8505	163660.3049	157154.7762	164269.3811	153397.8239
13.09_481.0294m/z	481.0293953	13.0854	neg													3557.320699	4289.42772	3763.785828	3459.690266	3809.901305	4059.464447	4859.928671	4490.688026	4968.557805	4325.240414	3428.586404	4175.035894	3929.487333	4294.144652	4265.612308	3760.883503	3720.128755	4366.218424	4633.192853
13.09_500.9982m/z	500.998201	13.0854	neg													2869.330649	1867.2532	2365.132618	945.7791178	2317.452878	3194.344948	3094.825246	2430.939451	3499.611094	2605.287596	3167.194976	1736.850966	3501.41628	2738.111193	2128.952734	1150.875213	2114.519238	1377.526194	2341.152306
13.09_501.0149m/z	501.0149221	13.0854	neg													3043.977706	2999.372938	2816.091881	2493.419491	2466.993786	2629.915297	2037.660007	2752.903179	2489.784701	2958.480737	2580.137704	2893.002653	2878.407368	1986.248254	2815.032252	2443.849709	3147.839578	2899.82363	2522.423413
13.09_587.0134m/z	587.0134342	13.0854	neg													8548.471309	7352.830489	9112.024139	7585.987773	6573.560952	7458.378172	9099.536784	8935.904665	9248.022912	8821.588853	8947.403927	7680.783706	8308.481955	7280.939176	9152.48031	9882.875885	7748.672736	8601.651232	7819.256488
13.09_926.5200m/z	926.5200194	13.0854	neg													9242.58214	7861.09712	13071.29395	6482.498555	8882.917304	7487.906619	10254.83685	13521.08052	8435.855094	5608.424212	10052.04211	11394.3165	10409.33828	11262.15502	7874.172284	9571.490845	663.4653283	5504.790708	13478.07192
13.10_183.0095m/z	183.0095238	13.10411667	pos													7997.18054	7025.437532	7132.047632	8100.207213	7269.438386	7003.320578	7569.44562	7273.704849	7933.389113	7842.319091	7322.084309	7657.933539	8647.793907	7601.613832	7393.268069	7914.28689	7227.225581	8775.983317	7679.808758
13.10_205.0168m/z	205.0167536	13.10411667	pos													3031.689017	1947.252594	3131.925608	2838.538966	3048.390535	3209.368738	3423.758547	3335.471443	3448.255708	3647.851526	3103.442454	2240.919208	2811.637822	2431.175392	2432.381843	2886.75061	2915.404677	3158.201911	2949.697241
13.11_252.9030m/z	252.9029505	13.10705	neg													79055.61869	82755.23963	85992.19354	91127.63222	86855.26391	92597.1483	96520.48428	91829.83599	90941.48504	92355.81462	97271.30204	91945.73961	102778.1558	98047.7236	94790.0595	89690.42939	87949.94088	94767.79103	88540.55193
13.11_411.0078m/z	411.0078296	13.10705	neg													4388.692023	3658.993437	4044.828605	3385.910895	4072.097952	4423.282216	4289.995432	3930.208007	4349.577121	4053.694868	4772.405719	3708.930192	4368.839689	3945.19097	3690.802012	5056.589058	4118.157297	5009.538967	3271.842775
13.12_100.1123m/z	100.1123149	13.12425	pos													711.178649	668.5512671	655.4057999	987.084396	632.1317021	726.0299972	771.8625203	629.4614346	801.2821174	601.4330446	718.0322214	626.6853958	652.6274913	959.0383613	660.9883425	801.3666482	803.7637451	914.7610691	595.054616
13.12_209.0125m/z	209.0125465	13.12425	pos													55116.98396	53596.12856	57437.4069	60626.98161	54177.75591	55889.67882	56816.39273	58084.14847	56197.81396	57014.04217	55257.85867	57242.52454	59517.14949	57373.63628	60613.28868	62579.08172	61312.07301	61834.95384	56480.58009
13.12_430.3753m/z	430.3752855	13.12425	pos													11212.87276	7413.809638	13332.90936	12808.1233	13254.0242	15302.73875	17560.81968	12326.19345	16505.69118	10708.7659	11958.66663	8745.217121	16400.84932	8981.065133	8229.142237	12699.42609	12279.449	11894.67772	12129.18878
13.12_432.7632m/z	432.7631553	13.12425	pos													31134.70614	37797.35249	29208.20501	21289.94646	24770.4512	27793.82254	27793.62416	27788.93565	23041.29011	26496.49205	28623.31597	18559.01502	19247.37711	30443.49315	46958.26104	11327.41229	2808.417348	14855.00585	20986.79373
13.13_395.0126m/z	395.0126014	13.12845	neg													3292.858858	3152.528292	2408.399588	2982.996292	2273.991333	2311.288669	2955.767289	3327.886441	3772.746807	3226.146695	3168.521554	2380.688867	3027.786723	3080.066562	3192.143658	2897.211541	2961.709157	2541.331257	3084.870456
13.13_619.0194m/z	619.0194463	13.12845	neg													8744.777904	8302.802038	9459.459073	7063.043889	7631.123404	6838.706647	8757.72766	9322.625852	9318.366239	8975.182314	11324.51457	8270.785144	8700.244117	8872.014289	9204.283945	9337.035112	8366.147179	9260.573272	8762.051567
13.15_1007.0895m/z	1007.089526	13.14991667	neg													1982.039773	2459.858094	2877.395108	1533.964022	1445.487556	2645.64938	948.0157143	1085.689444	903.8273719	2594.056672	2074.091804	3953.323478	1887.640027	3805.67944	3646.400319	2482.155234	858.9827797	1959.030448	3253.634905
13.15_159.9863m/z	159.986311	13.14595	pos													4358.688444	4477.694433	4704.750148	4715.594424	4352.286955	4506.169857	4544.713409	3960.404758	4397.801755	4401.456514	4951.363154	4324.372895	4861.761224	4514.252678	4499.024219	5241.153141	4549.281787	4800.726944	4306.862107
13.15_256.9368m/z	256.9368285	13.14991667	neg													954.926509	1076.668201	1000.610535	1333.360682	1125.78903	1349.55081	1478.61474	1186.664214	1323.345922	971.2351484	1335.472573	1435.397651	1514.276634	1377.71074	1377.201952	1093.730351	1080.160893	1446.175748	1247.09263
13.15_272.9966m/z	272.9965749	13.14991667	neg													1985.546337	1846.496351	2014.734551	1973.636928	2103.718049	2060.477935	2010.32749	1557.575851	1802.945732	1907.055701	2178.995823	1729.661185	2008.892824	1825.309452	2011.618639	2344.117699	2090.707193	1992.314462	2018.59718
13.15_338.7764m/z	338.7763555	13.14595	pos													24113.68356	14859.95113	25608.65891	24364.26622	23776.8883	26043.55096	26159.78864	28136.85021	20998.93553	24604.35077	19693.10842	19944.48443	28482.34415	27672.95306	29626.57509	18662.68721	17293.08477	20046.36757	19391.49138
13.15_348.8854m/z	348.8854354	13.14991667	neg													16135.50114	16396.26215	18076.25606	18958.81486	17525.71957	18310.97494	19305.48377	18316.70748	17020.62596	18259.94542	19384.12593	19784.32841	22691.1122	20295.00523	20725.42523	17523.13795	17019.06943	20245.84931	18813.04509
13.15_351.0449m/z	351.044899	13.14991667	neg													1209.561836	1105.73815	825.499567	1270.735708	792.8077622	616.4649468	1234.316392	1098.694889	1050.742326	588.3472323	489.1239235	1254.796619	1354.013508	1012.082043	1308.934939	1024.464109	791.5667239	959.7570736	945.5425757
13.15_352.1949m/z	352.1948812	13.14991667	neg													8442.195796	9076.07207	9428.75401	4929.803804	8529.91106	9004.44684	8332.476683	1158.077689	513.6919207	10499.45993	7340.41208	3334.413796	11151.41788	9501.850305	10388.53217	10423.10876	8986.605188	5976.748808	10137.84694
13.15_401.3449m/z	401.3449328	13.14595	pos													13925.11339	17907.31231	19419.19265	18151.36061	18995.93587	17845.62281	18258.40575	18871.21417	16114.8487	15894.97822	13372.46505	17398.66448	23187.63707	20633.43644	20047.08565	22057.82734	25105.80973	20443.07634	19200.18896
13.15_401.8467m/z	401.8466551	13.14595	pos													8297.997118	14331.0248	12340.07692	12461.3124	14022.31807	12893.56184	14144.93601	13008.26204	12518.63305	9969.211501	12428.63377	17204.38585	15681.81707	16363.55958	19226.14108	20587.86708	18183.60936	18205.8891	15748.37582
13.17_111.5218m/z	111.5217854	13.16601667	pos													1210803.367	1279244.918	1243588.632	1280700.479	1190808.994	1208369.754	1221614.592	1221063.93	1208495.841	1215243.782	1236540.179	1311848.715	1287763.692	1294890.984	1331470.034	1356730.904	1298262.72	1330258.936	1231270.935
13.17_131.5333m/z	131.5333396	13.16601667	pos													1659305.199	1856241.426	1768163.399	1812594.338	1656726.377	1698735.621	1733716.02	1710443.161	1692652.462	1690268.265	1722120.306	1919474.697	1916371.474	1886103.27	1924310.485	1969170.957	1874646.689	1918650.454	1749141.32
13.17_201.0369m/z	201.0369401	13.17095	neg													634.4362541	712.8801319	1010.977486	641.7202793	688.6668258	743.4762532	673.9970428	562.7652693	636.2968356	913.3454463	834.4128449	938.8101811	407.0984343	915.6805746	757.9700171	724.566961	764.3097375	590.1196947	626.6332634
13.17_228.9414m/z	228.941426	13.17095	neg													32552.82687	35325.71784	37668.01732	36750.55303	36169.02598	36303.36431	38443.8588	36450.26188	36065.80593	35438.08139	39112.93203	37169.62918	44435.04165	39988.83546	38895.39748	37185.10352	38555.20118	38715.13733	37354.86436
13.17_262.9942m/z	262.9941698	13.17095	neg													3658.544681	3038.674232	3514.233315	3579.901913	3667.5611	3666.078286	3239.345503	3473.072535	3816.205072	3861.454297	3879.083191	3509.364317	3140.664571	3393.936596	3263.544511	3827.33422	4157.985873	4335.410098	3606.901057
13.17_329.7710m/z	329.7710343	13.16601667	pos													32135.55068	20990.19284	34389.45753	33846.58136	32830.09845	34528.59682	36078.33668	37503.28234	25258.86722	35064.79435	26411.8856	28725.83152	33478.20317	36561.95868	37830.50887	24621.13595	24205.59624	23989.54391	24397.21011
13.17_416.8729m/z	416.8729135	13.17095	neg													791.9721632	1271.255889	1151.449642	1026.775692	1047.117182	1026.10117	574.3034778	1201.665035	1169.574172	677.332959	1098.644239	2271.224595	1325.746512	2278.924946	964.8873641	1380.637603	817.1231874	1179.028293	1476.996392
13.17_433.2646m/z	433.264598	13.16601667	pos													8041.137129	11576.17042	9342.897749	5785.911554	6134.995452	7066.02834	8313.657668	8729.487935	6579.614632	8653.567625	6736.236739	5720.804634	2410.050706	8247.962545	18155.13408	2104.75369	0.000297236	2973.472341	5666.119937
13.17_637.0099m/z	637.0098587	13.17095	neg													5420.898573	6997.421894	8055.70694	6726.451538	7884.126676	4799.073227	9310.347454	6399.927904	6074.922311	8206.939505	7790.219699	8238.232766	8159.581905	6022.240938	8492.528488	7566.511414	5951.143533	7921.394762	6793.79208
13.17_819.0663m/z	819.0662964	13.16601667	pos													96010.8703	145004.353	89176.54945	79836.17543	83502.73956	91684.96615	101250.2755	100520.0138	110791.6767	110940.0826	106495.6685	23926.35554	64774.73409	121451.6532	90820.40252	71039.50799	78319.13825	75457.64308	97475.34935
13.19_312.9915m/z	312.9915403	13.19191667	neg													3807.229115	3476.510423	4275.734189	3771.95372	4579.811768	3891.122667	3891.449792	4356.597257	4117.061269	4590.589984	4640.079731	3893.094494	3733.340598	3330.555546	3225.99374	3919.698261	3805.863518	4621.738004	4629.122807
13.21_178.9923m/z	178.9922715	13.21306667	neg													1422.455089	1793.226733	1554.309395	1366.590062	1519.467408	1546.50742	1396.40568	1713.102521	1746.823189	1608.327366	1719.617933	1542.487565	1625.917758	1382.842518	1787.05718	1581.826743	1545.659674	1528.147819	1300.070374
13.21_202.9927m/z	202.9926859	13.21306667	neg													905.2695935	1011.110883	931.5144883	1173.125357	1030.300129	1051.430982	823.2705489	995.1439985	1018.572416	974.3085711	1088.237457	1021.968432	1129.289919	901.7663089	903.6445145	896.9307473	1073.710307	1222.380113	778.0774715
13.21_431.0316m/z	431.0316037	13.21306667	neg													2239.730189	1500.853908	1787.158781	406.1458733	710.6924309	902.7979635	742.5344162	1373.404984	3131.894106	1145.027274	2112.592969	1550.249616	1301.954518	952.0778885	363.9989036	2190.830185	2974.791718	2531.196486	1809.352752
13.21_605.4225m/z	605.422464	13.20815	pos													19335.34502	14888.74628	17386.54737	18713.31431	17621.39955	18944.2209	22424.23532	18114.00643	16900.34441	21028.80397	20540.96852	19628.13701	19365.30935	19952.67315	21162.55114	19902.27087	20472.03759	21231.89245	18854.60003
13.23_158.9397m/z	158.93971	13.23398333	neg													504.0900166	322.7546526	585.8047871	361.766009	610.2661329	464.0842089	454.5206822	457.889462	553.971483	248.6251356	400.737911	823.9076522	828.4259399	904.456874	554.1091276	417.9030968	440.5306232	504.7068702	681.7148866
13.23_160.9341m/z	160.9341212	13.23398333	neg													16834.22748	16733.46781	19731.01229	19240.56929	22563.68743	17986.09927	17490.23298	17844.78563	20721.38171	15141.76603	18333.71301	27715.18822	29801.59631	28109.25442	21967.67078	17145.34705	17312.54679	19795.68686	20328.47801
13.23_184.9147m/z	184.9147376	13.23398333	neg													101180.6241	109505.0509	110875.9906	113448.3636	109911.6624	116330.1603	119018.2538	114263.4015	111337.5551	113338.3224	120102.7629	120046.9142	131768.1316	123447.679	118593.6173	111318.8927	109518.9907	117953.3639	112855.4896
13.23_191.0125m/z	191.0125182	13.23398333	neg													32932.46144	31654.75781	32052.22348	33408.81567	33258.83184	34066.72555	35401.35611	35100.60062	32771.88232	35074.91293	36585.02202	30825.16386	29379.00276	30531.07968	32152.3125	34551.48431	32475.69911	33055.43829	31954.0943
13.23_236.9992m/z	236.9991645	13.23398333	neg													1032.502238	708.082415	1185.363924	1096.198983	1021.445646	854.8130163	904.1544476	648.8322716	773.7948207	887.9101677	918.5238256	909.8934735	668.4310806	1160.514834	980.9719008	908.9280271	1059.864145	1230.553414	1320.906424
13.23_305.0225m/z	305.0225295	13.23398333	neg													22792.67645	24244.78138	25096.27175	24884.45361	25113.73721	24990.65966	25359.46859	26173.99319	28192.24663	26766.94128	26394.33683	23694.62374	23690.346	24120.81777	23579.86615	26380.24691	23908.58071	27264.6238	24930.41393
13.23_434.2366m/z	434.2365551	13.23398333	neg													16971.75401	13060.39196	16987.31042	15635.36736	8026.533958	11876.58701	15096.58829	28253.09223	78828.74811	10511.77587	15666.11665	30976.20752	29153.64564	19377.74197	18734.52276	19929.83895	17085.70691	29529.06164	25446.0087
13.23_510.1533m/z	510.1533088	13.23398333	neg													547.7713029	367.4656024	470.609375	633.9843148	400.9799775	1334.986876	1854.761417	450.799744	812.5794915	402.374534	1569.393194	868.0791846	1387.248035	1774.824179	956.2828061	1586.115111	236.1818608	971.7862654	378.9146698
13.23_517.0119m/z	517.0118511	13.23398333	neg													18104.63792	18977.72998	17465.80909	20764.34597	17590.81485	20784.25584	19023.94242	19003.28931	21146.6727	23602.87892	20437.69348	17383.53079	21167.4716	20678.54857	16458.14158	23329.84706	19047.79426	20175.03474	21277.47294
13.23_539.0140m/z	539.0140198	13.23398333	neg													3279.916671	3955.206635	3262.435024	3790.339995	3843.992348	3650.557085	3856.463163	4466.247166	2848.413829	4869.206081	3602.292637	2952.168968	4347.030934	3750.421955	2920.297725	3984.855	3394.174579	3461.696229	4046.170537
13.23_550.0411n	549.0164604	13.23398333	neg													18129.0704	17007.30237	18069.60444	16602.79724	15752.45473	17098.23314	15249.22665	19348.44159	19855.80207	18636.158	18232.62574	17339.2366	17155.65517	17447.08143	15066.65065	21384.36295	16664.16945	17628.35545	17647.96784
13.23_581.0224m/z	581.0224017	13.23398333	neg													6133.556747	8454.788155	5085.678279	6958.927859	5925.425024	8353.421249	5485.677059	8400.937472	10626.52495	8175.481342	7360.129607	7110.4912	7246.041544	7910.834894	5878.442377	9629.40875	7743.285856	9309.985852	6347.509484
13.25_1045.1607m/z	1045.160658	13.25483333	neg													12250.548	13520.33516	15260.47417	13977.29783	8073.048106	10916.37536	9554.112992	11557.85387	12032.15202	10923.59293	10907.39936	12116.58763	16155.1542	12110.1893	17292.36725	23534.25925	18795.99528	15042.75027	12527.72116
13.25_134.9260m/z	134.926008	13.25483333	neg													633.5438841	712.5452159	820.3107147	764.0878421	818.7590117	641.7177359	606.878514	722.2277407	748.4121267	687.0937787	615.1543901	647.3972037	818.0047008	625.5072348	624.6688574	666.8686893	719.9775082	644.4538755	640.5649906
13.25_316.9864m/z	316.9864039	13.25483333	neg													1759.540137	2096.606059	1632.44273	1651.554499	1565.841396	2002.381009	1373.743056	2002.93422	1812.144461	1785.186085	1618.187218	1463.616057	1937.559004	2079.942405	1530.026066	2193.58156	1030.957014	2030.829182	1463.637522
13.25_319.0383m/z	319.038288	13.25483333	neg													1606.213406	2422.087989	2744.359036	2603.856597	2658.520326	2043.809028	2306.647295	2550.439214	2748.885618	2996.170589	2785.016885	2973.288814	2941.911509	2408.308377	2305.700551	2548.489053	2401.558547	2580.459097	2520.893572
13.25_349.0115m/z	349.011529	13.25483333	neg													5650.850032	6043.552149	6117.110054	5385.016331	5148.833966	6009.43219	5833.773976	6144.063668	6037.749788	5839.476622	5882.001424	5611.207487	5016.86455	5238.324572	4993.537241	5658.926945	5753.775901	5009.99474	5603.440976
13.25_406.0057n	451.00202	13.25483333	neg													16430.33567	18295.15661	15814.1653	17633.65246	13728.12112	16060.97627	15748.94107	18457.92296	16638.4517	16978.91368	17611.95601	16999.39872	16336.51248	15172.7578	15753.57314	17976.60714	14160.87565	18433.48792	15923.98703
13.25_415.0200m/z	415.019964	13.25483333	neg													9387.911528	8222.834427	8508.386278	9440.399625	7535.543947	7716.703817	7917.300413	7624.449629	9887.804002	9506.178417	9895.509314	8121.815868	8345.848987	8502.556938	8714.622205	9678.739781	7925.356002	7743.698186	9065.85819
13.25_450.0134n	495.0090284	13.25483333	neg													13725.32336	14839.83804	13370.19137	15330.95718	12034.99831	12427.38851	13334.40042	13773.30192	16171.37417	14186.49768	18172.10177	13497.93817	14616.7458	12517.59034	14292.93511	12537.2277	15014.5699	15867.0387	15915.11902
13.25_452.0292n	497.0226365	13.25483333	neg													35517.65969	39546.77802	39393.34096	41848.44039	36005.25305	39593.13925	38721.08962	41499.29074	42236.48541	41806.19578	43568.77644	34270.71929	34082.15549	34619.82742	35876.19832	42106.45053	40528.2695	43099.74764	38383.62691
13.25_485.2787m/z	485.2786835	13.25483333	neg													3393.553247	4513.802692	4002.359833	332.4659463	442.2117662	550.5453938	329.0433504	0.000297236	1291.395511	0.000297236	238.896669	924.4243038	0.000297236	3256.283403	314.4889591	362.2639199	688.7783148	3091.166375	302.0466062
13.25_499.0187m/z	499.0187314	13.25483333	neg													20585.8378	20868.37132	18666.19143	20250.55004	18620.5248	19666.17675	19508.19853	18754.53768	21914.8241	19995.79765	18683.60377	17768.54486	19948.17285	15737.44229	19195.48548	22334.92022	19443.45757	21352.36315	20575.25924
13.25_831.5736n	832.5810193	13.24836667	pos													2365721.215	1329072.44	2006384.623	1951669.678	1991681.746	1847448.661	2013178.824	2308690.746	2529432.562	2147684.743	2319734.801	1156674.336	1169987.127	1429442.876	2264815.104	1784774.575	1466362.052	1906662.798	2026760.128
13.27_353.0236m/z	353.0236169	13.27386667	neg													2316.029933	3861.883144	3729.487186	4262.25986	4011.555783	3706.435655	4129.44309	3600.234108	4683.691157	4158.07075	4115.206533	3114.617002	3828.688829	4025.816838	3178.218944	3920.295331	3768.848129	4104.200833	4416.936335
13.27_377.0229m/z	377.022938	13.27386667	neg													5135.51123	5467.805516	6398.632919	5120.969909	5837.717899	5678.810385	5990.777385	5734.780942	4574.749611	5989.5397	4913.960142	7416.541079	4214.452351	5200.58156	6216.186889	6525.758784	6587.430258	6121.244232	4929.324313
13.27_393.0163m/z	393.0162705	13.27386667	neg													6417.333571	6518.783949	5550.922566	5615.389657	5295.346497	6273.243344	6267.106065	6387.790299	6018.401149	6759.372189	4941.726914	5624.826865	6179.03891	5784.71998	5644.787204	6953.534939	5758.01185	6272.817264	5880.524538
13.27_475.0195m/z	475.019494	13.27386667	neg													4612.180602	7828.279956	6727.53355	7062.432505	5114.33404	4973.528609	5370.042122	6442.18348	7825.186138	6645.045863	5680.524466	5652.727188	7407.930853	7069.996898	5480.129978	6175.944693	6597.752781	7826.464717	5413.729297
13.27_493.0127m/z	493.0126888	13.27386667	neg													4967.875256	4900.611441	5730.637576	5028.639478	4426.907197	4650.572123	5092.254833	6721.603608	6404.709587	5279.783568	5022.131123	5188.894498	5014.561553	4547.209773	5723.682159	6754.954234	5977.924056	6379.474038	4234.321767
13.29_318.9817m/z	318.9817212	13.2948	neg													2096.785566	1964.854869	2019.289805	2316.44204	2216.540314	2002.3498	2255.362614	2061.14611	2505.850647	2284.627256	2417.720198	1478.1206	1846.215591	1773.718044	2057.566272	2447.887689	2111.820807	2000.027006	1985.190039
13.29_381.0159m/z	381.0159003	13.2948	neg													4576.450599	4924.690377	3736.61694	3743.936252	4856.660133	4909.695086	4274.941568	5743.010588	4386.599676	4775.191044	5144.747537	4280.029051	4668.425036	4686.157558	5134.654039	4962.986942	4797.855848	5145.63391	3870.366127
13.29_503.0136m/z	503.0136231	13.2948	neg													5659.433037	6409.606491	8380.087218	8768.142646	5366.060794	6101.822075	7314.57749	7494.839279	9427.916464	8422.957761	8415.086539	6916.29962	6189.771313	6802.483724	7534.79521	9181.579455	7202.688328	7500.721791	8120.738348
13.29_513.0194m/z	513.0193566	13.2948	neg													4941.479547	5251.636915	4783.41237	5648.98759	5174.370376	4206.662887	4402.034653	5470.910725	5728.455568	5644.901432	4466.615389	3498.245764	4802.237905	4557.808869	4689.761236	5781.067313	4967.977113	4598.137874	4468.082686
13.29_963.1575m/z	963.1575387	13.2948	neg													8817.538025	11758.92898	12558.59347	10491.47835	9990.456971	11294.897	9570.779026	12170.75996	10280.63817	10147.10038	13396.37971	12857.25719	12428.00438	15173.24228	12951.42583	15808.57129	16556.10487	15457.4412	11321.35519
13.31_100.1123m/z	100.1123216	13.30833333	pos													1001.209879	642.3251425	767.2681719	780.1504457	643.4053422	799.1794571	700.2827627	935.2895434	726.1365604	719.6665778	1070.096769	576.1515605	774.0260864	1263.445848	950.5908239	724.7826316	857.3123193	610.7720129	636.7612676
13.31_286.3099m/z	286.3098892	13.30833333	pos													4255.393607	2430.480404	3816.640468	3779.478864	3523.508877	3430.454536	3338.919635	4287.926755	3615.152703	4410.34169	4521.918092	2599.250219	3643.980898	3633.488913	3933.351941	3533.723893	3894.889866	3590.997179	3418.939731
13.32_299.0133m/z	299.0132801	13.31625	neg													4893.384719	5916.426181	5131.290727	5633.74588	4940.631847	6170.543231	5374.014523	5183.486836	5480.187658	5565.568299	5162.617186	5690.926246	4719.07508	4552.595714	5633.525358	5364.178883	5523.08372	5429.154366	5632.516439
13.32_479.0193m/z	479.019273	13.31625	neg													4540.561397	4297.231537	3288.240828	5232.645773	3975.96753	3820.885868	4111.005712	5212.195976	5981.822281	4367.961477	4526.443361	4743.583491	4135.386002	2962.793227	4284.424933	3556.210286	4602.500039	3389.681728	4487.228808
13.32_533.0410m/z	533.0409602	13.31625	neg													4705.598704	4356.935738	4775.641019	4746.452013	5218.636633	5024.715948	6504.758248	5994.014886	5295.39076	6152.717814	4591.430272	2767.036415	5217.326543	4572.907084	6146.317911	4292.634864	6162.927727	5376.556146	4080.753189
13.32_571.0218m/z	571.0218333	13.31625	neg													4392.492127	6148.32439	4087.639968	5764.058022	4930.75042	5510.878845	6754.855229	5513.771025	7008.90136	6406.620128	7332.079024	4827.714556	3867.969796	3867.074598	5146.149219	5122.517052	6776.026604	5547.370359	5653.17469
13.32_599.0146m/z	599.014645	13.31625	neg													4966.405866	5387.128916	4255.679582	6496.584579	7089.700424	5663.537538	5580.067874	8316.059247	6789.625781	7357.582841	8118.63922	3925.194651	4491.128063	4064.352793	5492.97336	5823.869609	5882.570842	3900.654682	6441.438894
13.33_818.0583m/z	818.0583451	13.33001667	pos													4684.886894	8439.953001	6015.602552	6751.331757	6775.010612	7614.198183	7067.913016	8080.422457	11754.83398	10887.39737	8907.479203	0.000297236	0.000297236	0.000297236	912.819847	3045.194694	4927.883565	5575.890084	9365.68876
13.34_116.9680m/z	116.9680106	13.33746667	neg													722.6016987	788.7060758	898.7307305	808.7146975	621.4170532	923.8232721	784.0614624	726.1666197	594.8541173	762.5203996	956.9580494	891.0203991	818.9943798	690.395545	543.0789628	763.5143638	681.7976414	540.8776572	734.9685265
13.34_525.0174m/z	525.0173751	13.33746667	neg													7048.526057	6720.9814	6055.957803	4065.109948	6156.215472	4671.536497	7136.492907	5920.076163	6790.38118	7664.87094	7287.388618	6201.103434	5325.301596	6434.575133	4915.60516	6381.478929	5006.402842	6744.448955	6517.038774
13.34_597.0166m/z	597.0166204	13.33746667	neg													3252.854399	5107.614202	3238.792039	2761.70833	3184.06283	2722.082731	5915.54761	3974.020501	6059.713199	5364.155544	6870.396691	5042.266104	3582.284062	4103.749018	3846.756148	3949.09141	5329.335714	4307.489743	4066.385314
13.34_619.0197m/z	619.0197156	13.33746667	neg													12571.96997	11649.52702	12588.67521	11585.1539	12971.07761	12092.24712	14130.76771	12154.91332	14082.84032	14469.42458	13945.29579	10225.80482	9049.054509	12683.14788	11572.25792	13871.28439	13671.12692	12634.4525	13985.20225
13.36_1035.1207m/z	1035.120658	13.35773333	neg													17765.26732	11664.28627	13518.83171	13654.0127	9392.415141	12326.14584	14699.41927	13450.03536	13365.34794	13349.68681	18516.14367	16521.85179	14984.82479	15336.65555	14747.6994	20300.17311	19776.22921	19699.24009	15806.15758
13.36_174.8859m/z	174.8858512	13.35773333	neg													1436.872302	1395.158091	1607.030708	1474.846002	1552.942052	1703.479325	1846.960358	1532.934115	1573.059821	1555.73382	1656.750649	2004.963036	2341.433574	2032.063086	1933.993657	1692.15785	1616.713776	1570.259862	1806.044596
13.36_311.1684m/z	311.1684111	13.35773333	neg													1838.594014	1867.167066	1946.298264	2198.599539	1522.697943	1880.562107	2057.973772	1730.337781	2202.521569	2161.352691	1905.508518	2288.554074	1481.819961	2257.935269	1598.08538	2153.838669	2376.887802	2187.750142	1954.353727
13.36_425.0053m/z	425.005275	13.35773333	neg													7878.188185	9595.373272	11753.9854	13459.43313	8843.398213	9488.955052	11302.38018	10221.32739	10060.88595	11294.28221	12760.78907	10341.76875	9873.041873	11289.52914	10114.11938	12077.65085	9935.473394	9885.037237	9696.270941
13.36_539.0163m/z	539.0163306	13.35773333	neg													6634.55397	7975.465314	7371.455824	6885.485019	6858.43575	6151.249472	9609.430425	6892.001314	6052.99566	9083.956453	8532.671714	6101.814595	7284.533267	7284.450136	6300.708284	5713.256239	8668.345196	7720.116755	9589.334826
13.37_139.9876m/z	139.987627	13.37083333	pos													1026082.726	1025437.05	1066705.974	1097168.057	1039332.082	1056453.789	1067492.14	1077164.497	1053218.156	1066965.915	1069874.082	1085440.086	1110844.897	1085116.678	1144541.235	1186948.931	1136170.506	1130472.095	1059146.593
13.37_271.2740m/z	271.2739938	13.37083333	pos													16111.73774	9106.797623	14594.02236	16202.30077	14907.0679	15357.27326	15457.01133	16748.23243	15801.61665	17480.01444	16465.24825	8921.193524	12770.37173	11995.35992	13182.10945	14518.97456	15317.38217	16199.20842	16440.86219
13.38_282.9818m/z	282.9818117	13.37865	neg													863.3839174	805.7177977	1105.253576	1097.047943	594.1074963	827.3259624	1389.263964	1140.478049	706.4257661	1487.647142	1117.130242	796.3921544	780.1459892	1284.338948	1036.67388	1117.070014	765.6639542	886.3629739	1233.502124
13.38_369.0164m/z	369.0163913	13.37865	neg													2392.110225	3647.385849	3762.194176	3742.550309	3289.457664	4106.264036	4713.578935	4079.829152	3296.956397	3168.552427	3499.484988	3324.223408	3923.286638	3942.033096	4162.29844	4215.820772	3131.293719	3176.236666	3304.499993
13.38_567.0122m/z	567.0122155	13.37865	neg													5126.950645	4888.182128	5495.018372	4362.567319	5047.487981	4261.62377	7310.967195	4876.017908	6352.635647	6311.304317	4475.222656	3471.455612	4233.920111	2998.141099	4916.598743	6408.320244	4187.625454	6464.857348	3683.463517
13.40_485.0055m/z	485.0054921	13.40031667	neg													31055.6941	30839.57057	30296.11186	29414.3705	27850.77617	28926.68307	32350.54375	27869.76071	32565.7149	29799.55037	33089.7383	27963.58049	27925.64858	28449.25185	27027.55636	31856.54749	28763.88176	31635.77672	29464.34987
13.41_330.2817m/z	330.2817126	13.41283333	pos													11391.29023	7230.731068	12512.21541	9357.049565	10937.65318	10920.42442	15260.65024	1483.873346	2258.366358	14083.04892	7985.232103	3340.892307	12012.94326	10857.14596	14344.1238	10688.1666	18913.5226	14700.75037	14415.65138
13.41_663.4646m/z	663.4646018	13.41283333	pos													36943.7118	36244.98872	33127.21466	27924.04839	27301.53629	29813.67506	34833.52491	34298.81443	35697.95025	34409.33044	34835.55659	44033.2371	35016.43064	33992.22795	50826.5797	41073.69969	38451.39689	28599.9069	31500.94417
13.42_304.9868m/z	304.9867667	13.42078333	neg													2880.518605	3371.625843	3304.525146	2865.421806	3003.981764	3243.107903	3769.177719	2802.169434	3270.925593	3352.439565	3934.160966	2851.372214	3521.012064	2798.162085	2829.448117	3244.983328	3087.674216	2721.561222	2463.530616
13.42_312.9914m/z	312.9913807	13.42078333	neg													4579.134539	4703.768344	3945.059362	4244.395088	4290.34338	4634.0546	5502.653625	4803.298756	4491.440439	4491.744675	5577.985497	3675.053341	4265.367728	3705.570698	4629.691367	4523.667129	4122.889366	4501.243919	4047.998496
13.42_337.0289m/z	337.0288885	13.42078333	neg													63036.19617	59272.60007	61410.42314	63279.61977	61844.31672	64352.53773	65855.68172	63339.95496	67952.27869	61836.20913	66730.11212	59646.14406	56660.58332	59982.00268	60850.16431	67305.31868	60309.50137	63483.13163	61175.3774
13.42_400.0351n	399.025358	13.42078333	neg													7060.161417	7766.990075	7452.691846	8243.104408	6750.916579	7776.212821	8579.223893	5179.45464	8291.104556	7091.486733	7696.607712	8317.05585	7327.48992	6116.477473	4987.471689	7600.780341	8321.79387	5773.340284	5117.769218
13.42_417.0158m/z	417.0157901	13.42078333	neg													17777.51309	17769.9182	19076.36222	20490.36408	19394.44494	19444.13011	20987.24651	20238.85271	20368.39809	20432.4441	16946.14867	21365.84158	16457.58125	16161.95551	18102.87972	21971.74551	20027.81645	17500.94836	15351.27059
13.42_437.0217m/z	437.0217017	13.42078333	neg													82962.76342	84078.72233	80571.63597	79814.61813	81750.32403	80470.32271	89169.24755	88129.95832	83996.26775	82992.17161	87249.24785	77898.49363	74617.99561	76528.08067	83641.75652	92504.89803	81494.94185	83229.41381	80041.90162
13.42_467.0126m/z	467.0125727	13.42078333	neg													118550.3	120488.7025	113749.9682	121401.4988	116825.3978	118620.6879	126699.7586	121783.4251	133426.5372	128573.8812	129434.348	114155.2289	113303.8458	113172.7489	119395.9466	123764.1623	115592.8012	121818.0737	112943.6286
13.42_469.0279m/z	469.0278901	13.42078333	neg													146615.6601	149352.6174	143626.6295	154406.247	146155.2298	147574.8951	152302.3029	150329.3122	159932.7563	151221.0591	161125.9736	142226.8387	139473.9336	144826.0697	143593.0277	156207.2812	142497.6479	149676.2527	137149.6797
13.42_477.0163m/z	477.0163283	13.42078333	neg													3704.072264	3562.071623	4398.344641	5171.485919	3232.592195	3893.118089	4431.543795	4700.727146	5910.677658	4595.049845	6102.053728	5755.888139	4721.115703	3665.620202	5255.970886	5659.393563	6094.440601	4836.12174	3043.013352
13.42_493.0112m/z	493.0112292	13.42078333	neg													5747.455811	7367.147666	5879.175564	6365.173991	6026.972764	5944.216773	7158.732006	5526.150964	7523.055351	7397.91878	7701.427289	5291.556773	6116.573991	5030.62225	5725.599923	5306.804677	6679.753871	6245.935418	6349.687822
13.42_519.0244m/z	519.0243699	13.42078333	neg													79068.65807	85048.90037	81973.99649	80780.79382	77393.26512	83775.28102	85156.5486	84784.02077	90304.73154	90100.11925	92441.46112	81384.08426	79113.41117	81828.53591	79558.92286	82643.15291	83265.69985	82278.07473	75047.96013
13.42_587.0137m/z	587.0136676	13.42078333	neg													10590.52459	10250.86028	10634.89338	8875.143699	10693.68998	11454.31697	13716.68504	9506.421415	9471.455433	10770.30248	11053.99668	9688.654866	9583.793594	8618.688792	8235.55067	9788.507484	11283.4954	10863.18659	10918.36719
13.44_116.9678m/z	116.967808	13.44161667	neg													682.0596846	598.7888363	532.5868282	698.2744353	634.921383	497.3608794	616.6028507	720.4287148	676.483912	698.0805791	600.2692632	708.4297094	556.2587319	567.8463808	576.8204287	513.3873736	667.7793404	693.961344	627.2916113
13.44_255.0256m/z	255.0256296	13.44161667	neg													39379.46877	42181.53514	40909.27436	41401.59677	42098.00166	41041.49913	44028.48296	42907.27107	43251.04457	44428.67718	44891.7042	39175.84084	36122.81433	39649.42742	42364.49371	44823.83683	39592.13956	42205.44492	38618.97511
13.44_285.0162m/z	285.016218	13.44161667	neg													1625.579568	1350.92847	1555.07543	1301.465432	1210.78655	1446.757697	1509.449053	1253.282611	1284.168649	1493.698744	1607.427804	1353.426178	1075.736299	1550.232221	1299.606675	1310.08718	1511.812842	1654.227843	1616.169493
13.44_288.0233n	287.0118277	13.44161667	neg													27724.79611	26698.94206	29515.12977	29788.05032	28054.52729	28469.71403	29558.61251	29133.16839	29481.70556	29039.81249	30896.43965	27452.93584	25929.63594	27006.10717	28264.83429	29567.34092	27219.36733	28460.64452	28703.06808
13.44_313.0111m/z	313.0110925	13.44161667	neg													1984.152045	2010.167013	2436.240406	1965.77665	2016.939614	1735.220986	2074.162498	1895.717789	2295.62925	2340.37582	2246.410945	1786.470956	2491.749901	2068.249163	2521.030408	2454.709959	1693.476396	1773.181555	2561.9168
13.44_319.0381m/z	319.0381475	13.44161667	neg													2385.869874	1845.046575	2256.26638	1935.18087	2280.227308	1838.893066	1987.642296	2338.96913	2540.152552	2147.968358	2677.631055	1614.676066	1912.147337	2391.487857	2609.283939	2366.933952	1968.366761	2273.792164	2147.428281
13.44_324.0206n	323.0131305	13.44161667	neg													344168.1287	343215.7464	341183.4142	356598.6085	343690.2122	339749.3874	356537.626	360248.7598	358223.7238	358312.1363	375555.4683	329023.603	319186.2696	330289.563	340480.0998	364748.6008	329691.2297	352450.2494	332076.226
13.44_327.0070m/z	327.0069506	13.44161667	neg													6335.646749	5479.204801	5759.092157	6516.448171	6143.714728	5761.917055	6684.434682	6762.190805	6380.938894	6407.492997	7023.709616	6824.99337	5852.536386	5672.167633	5437.346531	6703.869409	5940.341047	6542.311042	5948.470535
13.44_337.0100m/z	337.0100303	13.44161667	neg													55635.59972	59554.18476	54784.97341	56674.78786	58208.53105	57131.56111	58460.52257	58209.73023	57307.4235	59712.55676	59292.40298	53534.25456	54263.95156	55721.85732	58561.59159	62409.90508	54934.111	60347.75001	54733.57186
13.44_383.0141m/z	383.0140505	13.44161667	neg													9241.628338	7808.516114	9276.205468	9070.399027	9064.872218	10047.14255	11159.39218	10282.31467	10039.90054	9084.629422	10059.53244	8762.809142	9118.741204	9324.132004	9004.379356	9285.016812	9110.835063	8309.738977	8468.892342
13.44_419.0313m/z	419.0312813	13.44161667	neg													14089.54752	14847.74675	14425.86384	13997.11393	15562.337	16030.02284	16986.93027	15291.14931	16221.64882	16293.37269	16666.45321	14375.27885	15552.01595	13601.76975	14188.94201	15969.21363	14801.99644	13633.67447	12975.68957
13.44_435.0073m/z	435.0072704	13.44161667	neg													23842.06984	23168.01707	23246.41708	22900.88279	22375.4178	26459.14871	25687.77597	23376.1764	23670.81877	25638.3422	25716.94404	22545.26244	21288.75806	22537.45018	22861.89045	25842.94168	23899.66026	22570.15182	20365.15657
13.44_439.0195m/z	439.0194879	13.44161667	neg													10780.74668	9590.083203	9488.759594	10747.92829	9760.783524	12348.90518	11118.29497	10647.55692	9817.461315	11586.47392	10972.24066	11541.98007	10451.88405	9579.424041	11400.57008	12523.14149	9631.868265	10177.13671	9818.7399
13.44_450.0319n	449.0220939	13.44161667	neg													30211.73314	31701.48171	31626.61256	31340.68749	31290.1383	34258.94988	31852.78529	30492.12601	32978.93422	32176.10105	32859.08682	30711.13333	28574.44223	31052.11096	32622.72343	34693.58701	33783.64884	30655.68604	28587.64838
13.44_451.0371m/z	451.0370984	13.44161667	neg													22341.2669	22873.99092	24107.2724	23602.36859	26470.58742	24919.69388	27844.10691	20131.3435	23070.61101	25511.41455	26390.17805	25834.3733	21838.46246	22812.04554	23939.61717	25411.0093	23791.11155	24087.90748	21755.23309
13.44_458.9895m/z	458.9894974	13.44161667	neg													1573.752328	1593.644537	1887.327622	1750.136767	1718.862606	1457.260512	1823.19822	1776.6165	1436.197176	556.2951181	3315.323657	1409.836909	807.9591701	2577.011881	2066.883374	684.4769921	2380.548363	614.765851	3045.149123
13.44_464.0289n	445.0110188	13.44161667	neg													31739.12429	30025.69026	31550.17493	34053.20936	30374.99592	31382.94434	33072.83874	33702.82724	33966.41628	36299.94059	35881.91473	32229.63155	31262.24396	29470.99762	31548.18957	33452.60886	32257.80232	33759.87394	33254.68329
13.44_465.0168m/z	465.0167817	13.44161667	neg													22665.61148	22063.58904	22061.50224	24343.50127	21941.61557	21185.23227	25268.24333	23001.81872	25386.81798	26490.16529	26265.97376	23672.34936	21904.51086	22264.62711	22136.94434	23393.22493	22317.74074	23405.48517	21160.74805
13.44_472.0161n	471.0087987	13.44161667	neg													29916.12675	34708.94114	32544.5846	37141.34616	33666.0454	31855.9386	36100.33763	36480.23873	38638.34539	37790.71914	37896.64196	33083.54894	30893.17384	31481.47494	32676.13879	34125.92113	34119.86318	33301.03542	31387.32512
13.44_502.0270n	483.0091727	13.44161667	neg													27128.75087	28037.15715	30194.44277	30094.93549	30589.60105	30944.02933	30877.4877	28980.16023	27989.61089	29437.76141	33617.9452	30212.92587	26932.76115	24979.02066	27203.90021	30921.09346	28183.0277	26910.03568	26243.74564
13.44_601.0289m/z	601.0289432	13.44161667	neg													19861.45353	17752.97654	19469.24817	18516.63525	18610.1582	17506.32084	20612.10971	18577.98937	23995.84455	24624.15117	23304.84722	18561.73342	16845.30191	16820.70213	19173.86564	21123.56198	19237.66094	19829.51521	16696.31437
13.44_765.0342m/z	765.0342482	13.44161667	neg													5095.595267	6137.264277	6590.262613	5923.524032	5366.733698	5151.303231	6408.869527	3948.274882	7449.361931	7606.276877	9400.28628	11071.65066	8915.659989	7006.004363	6597.763515	9563.311502	9639.796976	3168.580585	5122.254488
13.46_329.0036m/z	329.0035861	13.46116667	neg													28721.93075	30370.76025	31073.05067	30671.44184	31072.21759	30953.07241	28187.57673	31032.09706	32838.6324	31641.11077	32599.67458	29845.13756	27433.95459	30009.21322	30630.10812	30371.17877	30125.39293	30449.08564	28038.74658
13.46_365.0232m/z	365.0231535	13.46116667	neg													4088.128585	3586.562097	4678.280348	3784.108516	3890.181016	3587.148381	3872.831698	3633.838513	4875.929085	3983.540353	4022.100896	3828.061036	4046.598098	4206.795191	4515.737459	3831.313851	4412.023909	4526.605857	4348.847791
13.46_408.0030n	452.9989114	13.46116667	neg													17381.55175	14583.35486	14134.28459	18242.90281	17003.52326	17421.1832	19747.73774	19834.98433	17892.60468	18167.66019	19108.12534	18022.91705	14829.94435	16516.35516	18356.34492	18319.28661	16572.53832	17779.65428	16175.26757
13.46_447.0258m/z	447.0258423	13.46116667	neg													7196.748049	7249.778968	7924.908568	8347.774475	8190.27823	9745.031009	8682.642691	10720.71321	7881.118818	9498.649858	8826.487632	9777.108788	7360.42927	7969.883639	8085.456588	7949.143535	7493.73775	7758.997646	7522.219477
13.46_497.0224m/z	497.0223664	13.46116667	neg													17954.17953	21128.69092	20558.43313	19568.94862	20568.14797	21982.89991	21236.64381	17627.11251	21449.05804	21505.89514	21933.88297	20309.59055	19056.69891	18822.7448	19260.08396	20976.42698	18198.70898	19672.2679	19338.35166
13.46_515.0149m/z	515.0148534	13.46116667	neg													9369.628202	7781.20832	8483.344729	10549.48026	10595.14017	7159.304292	10811.8101	9717.060813	8617.783338	12080.45664	11940.28134	10997.41323	7791.400291	8705.154326	8808.17344	10818.2219	10136.08042	10220.11958	9665.86037
13.46_551.0309m/z	551.0309375	13.46116667	neg													37703.65871	37901.39467	40132.87402	39866.18765	35780.88787	38522.22027	42355.84079	40761.21838	41051.77031	40804.40739	42189.30315	39071.68151	35137.01554	35744.74081	35054.45303	41790.20241	37704.17153	42058.94652	37242.3456
13.47_422.3833m/z	422.383298	13.47398333	pos													7756.056685	4830.595978	6647.412627	7472.721999	5997.762162	6639.297663	7352.784752	7634.181624	6729.208237	8970.868728	7568.331672	4725.490339	4814.93806	6324.826739	9402.882892	6933.465401	6589.516958	6820.827237	8713.492263
13.47_455.3329m/z	455.3329252	13.47398333	pos													479.7075316	275.8612813	504.9470158	153.6504872	0.000297236	980.4652437	0.000297236	282.9555252	231.9891642	662.0689664	1074.892632	0.000297236	0.000297236	382.8597901	56.84499791	0.000297236	679.9398473	501.6603182	798.4787152
13.48_302.9880m/z	302.9880288	13.48148333	neg													2414.610339	1937.168516	1722.288399	2413.690673	2081.403797	3167.189778	2581.277906	2402.215386	2410.223345	2538.024342	2396.509449	2544.748916	2398.922587	1671.1221	2388.586538	2607.939627	2251.453273	2207.074131	1909.45227
13.48_531.0240m/z	531.0240387	13.48148333	neg													8217.488993	8272.272127	8704.589991	7785.341681	7874.392443	7918.977751	7733.930001	8728.1764	7372.387448	8298.074262	8928.718776	8718.546781	5960.644835	8650.971991	8095.47542	7176.554269	5687.345875	7289.344093	7184.196117
13.52_1063.1505m/z	1063.150541	13.52403333	neg													13850.32817	11544.12122	13871.24156	10265.44254	12392.03733	12737.1951	12940.93099	9914.420732	12783.55518	14603.40844	11919.12085	16963.55164	12711.79808	13800.55828	15678.77756	17741.60533	17803.23174	12543.34513	12085.60231
13.52_214.9928m/z	214.992845	13.52403333	neg													968.5343757	869.9265459	917.8741348	986.0961206	972.8498221	1153.17023	1058.90728	933.3916273	1009.63601	1145.87644	835.2850501	1213.420929	863.4710213	522.7857328	905.0776129	854.299139	911.4421663	794.6412177	722.7296385
13.52_413.0050m/z	413.0049645	13.52403333	neg													6184.203319	5751.248108	6017.326722	6237.669703	5744.740055	7705.062291	6319.36966	6423.504351	6471.242761	5849.859646	6791.882148	6627.036109	3766.633808	4887.673293	6090.633817	7096.82532	5627.686365	6834.951037	5108.390973
13.54_144.9819m/z	144.9818847	13.5352	pos													3159042.033	3164912.8	3180301.292	3264700.361	3040413.382	3118264.654	3170793.674	3193100.64	3145708.955	3210433.741	3251482.743	3219293.587	3206625.035	3233688.589	3380685.844	3426951.968	3304427.811	3317162.952	3111236.466
13.54_146.9800m/z	146.9800248	13.5352	pos													1180527.132	1188735.606	1184264.773	1226525.988	1147280.859	1174063.591	1192242.42	1199483.332	1173849.696	1201057.798	1212199.206	1201317.899	1199267.39	1196247.377	1244309.469	1280215.402	1219092.021	1247976.341	1161548.035
13.54_228.0070m/z	228.0070238	13.5352	pos													179916.0018	172155.4767	186000.4371	193765.3817	179695.4471	185895.4879	185123.0763	187929.3624	182003.4116	187750.8252	188542.6986	185004.8285	201106.063	197256.341	205727.2622	209574.0649	199897.1081	206900.278	192119.6166
13.54_348.8854m/z	348.8854345	13.54468333	neg													8711.380932	8271.638862	9420.418525	10000.68699	8536.074749	10389.62085	10546.78877	9385.05835	8371.535536	8659.292284	9175.430883	9854.295214	13803.18293	13336.4254	12256.23604	9313.912638	9308.367666	9004.503165	9207.325362
13.56_128.9267n	173.9248851	13.56465	neg													149762.5619	245314.5968	233762.1823	246536.9867	241128.0362	261564.3396	269745.9074	257951.5972	248722.5605	264297.0142	276217.8943	170941.4478	205235.7444	203689.8439	213895.1295	216958.3416	224259.6748	236552.4819	226725.993
13.56_388.2525m/z	388.2524704	13.56465	neg													5007.882943	6216.00822	6602.630953	4888.709411	12860.80152	13514.95209	5432.063845	4542.845428	3576.380748	8997.122466	4547.081095	1520.782219	7639.434914	7397.454263	6363.853383	7261.585128	6129.372612	7063.093766	8262.759755
13.56_416.8729m/z	416.8728921	13.56465	neg													2212.602016	1442.031298	2044.285889	1106.908928	1934.025812	3004.245058	2281.442218	1396.111092	1300.532777	1688.315155	1427.193206	2819.164566	3438.788927	2792.588608	2796.433282	2447.076532	1859.249817	1530.126199	2170.309524
13.56_539.0139m/z	539.0139034	13.56465	neg													6511.786318	6503.169366	6811.569526	5203.362046	5959.734021	5274.072777	6511.281104	7331.753361	5190.584993	6966.299216	4791.860356	9330.016211	5926.132852	6794.115789	6722.856475	6872.640062	4627.24586	5049.576679	4652.469554
13.58_140.9954m/z	140.9954145	13.57831667	pos													100964.3704	91668.37979	104869.9594	105268.9906	102429.2055	100999.3756	103032.0248	103420.5821	100776.5168	105243.2646	104960.4152	96502.6315	104496.1914	104299.7744	109975.5043	114118.5676	109460.8296	108823.1577	102420.5289
13.59_257.8562m/z	257.8561931	13.58603333	neg													2834.99113	2616.533286	2857.149022	2904.094156	2986.255616	3471.112268	2754.936639	2552.792298	2092.137183	2636.862222	3025.062286	3623.011528	4151.941419	4089.917745	3807.041337	3646.997459	3297.254445	3597.708782	3142.445952
13.60_186.9806m/z	186.9806211	13.59963333	pos													514657.0448	488232.6108	539477.6373	548324.5208	523417.8899	527318.63	533117.025	527370.7638	517406.335	536087.6863	538276.6438	521770.6104	555149.7315	562518.3792	583325.923	598702.4569	575010.0593	577114.5004	542978.0962
13.61_210.9987m/z	210.9986716	13.60703333	neg													39346.53446	38449.09903	40929.50055	40801.73167	39110.13316	39637.23198	41313.19462	41270.20768	40707.49195	42083.00188	42234.88906	37736.41321	36958.05342	39433.52263	41083.4191	41376.96514	38815.7453	40990.64069	37574.66675
13.61_255.0056m/z	255.0055708	13.60703333	neg													3642.661243	3581.068002	3887.672431	3063.757077	3693.019349	4381.421371	4023.60779	3049.602164	3663.540003	3566.838977	3972.520711	3944.295418	2955.311756	3708.948935	3752.641623	3969.777603	3805.253622	3682.168877	3457.884087
13.61_481.0287m/z	481.0286662	13.60703333	neg													14659.11037	13257.97372	13728.32793	15014.77342	12625.42768	15597.26985	13724.70919	15202.2343	13606.42085	15504.98504	15062.95389	16072.85105	12485.59919	12767.76741	14405.07298	15708.22025	12852.41863	13070.93254	12897.76232
13.61_902.4854m/z	902.4853501	13.60703333	neg													2062.497826	2078.27251	1804.412933	1747.420141	0.000297236	0.000297236	2688.894303	2495.106529	73.97232205	3641.041267	867.6200209	2061.442788	1776.608771	0.000297236	0.000297236	1518.184584	5121.817903	2029.39808	916.6617195
13.62_168.1241m/z	168.1240691	13.62076667	pos													61828.57179	45335.41044	57990.03207	59069.07594	59420.41228	60451.58089	60182.3958	58607.50802	59287.62029	60730.01159	63237.91064	48958.0289	51674.10482	51261.60866	54961.27698	57616.73183	57010.98035	57708.88481	55664.6847
13.63_242.0168n	241.0098785	13.62781667	neg													329727.3556	329180.1962	334824.5145	338639.8775	336018.7293	335382.6748	348779.6498	346022.0387	350723.1025	350377.3111	359191.8781	314045.3477	306963.2515	323140.5968	328066.1313	347645.8001	326557.1916	339114.2045	318272.5236
13.63_285.0163m/z	285.0162678	13.62781667	neg													1928.7945	1836.552632	1895.755798	1651.00338	1487.032438	1628.258888	1684.672143	1939.620322	1817.971796	1848.645138	1868.734374	1330.463443	1577.668127	1471.353015	1671.443441	1638.17503	1769.424233	1640.453424	1361.808033
13.63_385.0100m/z	385.0100034	13.62781667	neg													105329.3671	99226.71294	105481.2524	108730.0073	101615.7003	98714.63146	102792.1672	98100.1516	104226.4214	107327.6341	108437.8014	93057.79934	89318.26911	96151.9931	101323.7845	108310.9662	97932.1575	103132.338	94640.22302
13.63_529.0148m/z	529.0148414	13.62781667	neg													6655.769168	6679.502585	6134.21684	6545.009665	5472.435846	7614.530698	7213.976784	5836.013782	6513.142889	7495.41233	6994.876119	6517.895815	5424.812663	7314.588872	6460.900529	6507.375502	6721.200287	5148.542394	6177.341958
13.63_555.0075m/z	555.0075108	13.62781667	neg													11965.72806	13660.11801	12687.44387	13249.5396	13122.27505	13995.47615	13110.10634	11110.70777	12525.74135	12543.16899	14469.16137	11295.72968	11703.99206	10786.93384	11978.59954	15914.50493	13942.62578	11851.96631	11159.48086
13.63_569.0220m/z	569.0219831	13.62781667	neg													46461.15647	50427.08509	50774.47761	44342.76397	51150.49976	49375.69038	50667.8988	48972.57653	53361.01561	53808.95154	55713.31503	48385.45808	42814.00433	46859.12815	44830.13934	56075.42848	48657.32684	47151.33499	47442.45873
13.63_599.0145m/z	599.0144679	13.62781667	neg													6626.297271	4555.746957	4597.884301	4553.603943	5645.671038	7855.218756	5726.655619	4794.522154	4217.645419	6281.921972	7344.227907	5755.454684	4799.726012	5430.840633	6341.880025	6318.002758	5840.435747	6372.483137	3790.533031
13.65_280.0137n	325.0100275	13.6477	neg													97606.77673	98644.17139	96415.95191	96963.32915	96434.81306	96793.5729	99616.43074	100759.6017	101655.8947	100745.0536	103026.361	92652.4069	89683.54651	96811.48514	99189.6214	98478.94178	94521.93505	98892.10717	93190.07688
13.65_299.0135m/z	299.0135496	13.6477	neg													1283.255141	988.0579979	1348.128452	1409.60548	1495.87467	1542.232837	1314.47493	1190.917605	1281.361218	907.9800796	926.9150302	1349.45356	999.9603135	931.6300951	1333.50611	1248.842173	596.8907103	1096.130606	1060.022276
13.65_307.0190m/z	307.0190174	13.6477	neg													1310.183723	1643.907652	1550.815071	1187.988117	1830.438532	2081.830095	1637.302858	1933.440082	1836.292302	1953.841341	2319.637711	1576.536445	1137.142582	1115.694301	1875.531632	1680.079593	1801.503099	1295.263528	1775.699681
13.65_379.0192m/z	379.0192109	13.6477	neg													1400.395579	1001.78097	1290.00442	1134.538748	882.8891151	322.1331348	1920.634722	1126.523392	2047.713976	763.4970573	1145.501795	1154.868773	457.626068	1715.699315	751.9952545	773.795128	829.9831359	513.6901487	1380.879009
13.65_503.0129m/z	503.0129231	13.6477	neg													5581.705408	4937.033227	5893.378255	7016.624735	6397.133173	6601.50736	5741.270588	5192.089893	7434.679469	6522.643287	6541.018895	6095.639148	4171.551558	6231.224542	5646.388482	7558.263732	6945.145702	6468.561923	4005.075724
13.65_549.0152m/z	549.015183	13.6477	neg													7946.427195	7251.18177	8114.209763	7752.329759	9164.090552	10368.09717	7662.419905	5497.866505	8175.960428	8031.985209	8221.678039	7159.370617	5271.400918	7353.792956	7593.534242	11198.29584	9245.435082	8021.684782	5290.2187
13.66_183.0095m/z	183.0095365	13.66101667	pos													2862.209937	4085.047028	4161.630554	4250.399873	3888.792243	3824.387581	4262.618332	3845.576117	4372.764472	4449.631253	4146.034207	4503.511262	4663.43961	4331.070171	4703.686032	4623.907191	4040.425952	4344.716442	3884.875456
13.66_305.1564m/z	305.1563921	13.66101667	pos													11310.85355	8791.86201	11472.03568	12580.00045	11677.40748	12256.69662	12308.01721	12566.43588	12251.45746	13152.32649	11999.86365	10331.51129	13263.76908	11698.80006	10667.37902	14018.03227	12096.32143	12642.57378	12017.02574
13.67_205.0082m/z	205.008222	13.66815	neg													22051.82886	21013.01138	21520.54162	22453.27127	22289.138	21544.75901	24171.43092	23675.48119	23005.34938	22459.90481	24157.9728	21992.36152	21103.00691	21581.44747	23017.21635	23295.45764	22242.75784	22927.35289	21584.28698
13.67_242.9893m/z	242.989314	13.66815	neg													1283.530236	1104.208688	1069.661916	1123.030504	1156.363305	1014.34342	1301.893838	1473.94247	1208.01475	991.2832181	1365.073092	1002.345866	647.3001294	1073.218159	762.7459954	1012.576424	1218.81547	1085.764733	912.5331402
13.67_479.0154m/z	479.0154475	13.66815	neg													7789.66342	7870.975757	8998.803543	9655.250143	10891.77806	9862.598482	6920.303455	10596.35299	8480.243169	7913.300189	10646.69037	11009.59789	7694.659099	8881.254221	9224.843743	10641.29053	7586.444259	6211.00489	10001.16801
13.68_422.3833m/z	422.383269	13.68133333	pos													5144.701322	3693.428327	5251.006095	5232.327126	5010.159366	5412.458472	5906.919886	5681.825535	6039.011619	5830.963762	5379.337463	1956.737106	5066.028743	4128.472057	4693.736915	4450.356177	5505.812983	6024.950608	5539.993753
13.68_663.4647m/z	663.4647057	13.68133333	pos													19179.23118	22561.27997	19071.12182	18525.23407	14877.568	21388.82367	23698.1682	20640.80184	18295.41916	22735.20269	21855.24863	23116.48288	20708.20342	19772.30926	20457.96302	25436.12076	23071.36345	20304.0847	22077.95806
13.69_332.0092n	377.0032657	13.68858333	neg													9199.768656	9083.850445	10313.67824	9700.90002	9422.665225	9651.299763	10273.13522	9630.156228	9509.155608	10460.66579	9872.397539	8514.699599	7617.515609	8820.649647	9970.864978	9398.580713	9531.783059	8574.348939	9723.691619
13.69_347.0126m/z	347.0125892	13.68858333	neg													1523.293464	1420.508088	1637.166641	1499.201589	1650.303104	1179.792306	1832.427519	1657.963052	1229.418359	1575.083973	1900.737898	665.0942463	393.810322	1596.613968	1639.803582	1422.136506	2036.04636	1883.772276	986.0208544
13.70_142.9909m/z	142.9909226	13.70295	pos													2329.2157	2480.885928	3169.984614	2911.808942	3092.564987	2809.264342	2792.949511	2767.060291	2666.440752	3228.127221	3101.276633	2474.48874	2867.030839	2934.680479	3206.619768	3376.267283	3045.926677	3281.975363	2896.386125
13.71_202.8811m/z	202.8811335	13.70965	neg													823.2023387	850.3231979	757.3049153	908.6418662	718.5842012	863.8564605	861.9885383	620.5407399	711.5382022	605.3783398	837.6675905	1169.58214	1230.133172	965.9383739	981.3204066	532.399357	900.0177304	730.7814301	724.9967138
13.71_404.9984m/z	404.9983748	13.70965	neg													5013.598028	6632.424089	7325.645515	5636.951894	5655.162447	6090.014971	7785.93314	6997.992389	6839.320891	6291.179952	6109.65859	5942.162007	6788.360179	7280.204972	6892.316383	6726.183523	7524.340282	6468.724255	5469.256291
13.72_143.9807m/z	143.9807003	13.7236	pos													37901.08396	38184.97776	38569.73658	39351.16823	38063.90179	38311.5905	39415.65519	39114.11063	38147.26152	38711.97057	38631.80088	39880.40759	39699.08855	41589.25819	42537.38561	43524.64995	40632.18638	41601.35562	39077.52498
13.72_561.3963m/z	561.3962708	13.7236	pos													12331.85194	10602.26181	13865.78587	10800.87073	10336.3205	12319.04459	11066.51551	11453.12991	12290.19444	12503.13376	11733.23474	11387.21518	13224.73254	11138.31608	11872.79766	14294.78909	12608.88208	10730.66633	10548.27919
13.73_269.0054m/z	269.0054274	13.7301	neg													1541.168827	1467.036398	1835.053259	1853.481878	1966.6446	1984.066194	2366.336798	1918.40947	1628.435686	2123.127218	2243.628208	1482.681377	1356.666438	1857.035571	1447.535946	1505.937226	1551.302459	1667.00488	1632.205492
13.73_399.0253m/z	399.0253349	13.7301	neg													3625.42551	4897.891359	2813.867993	5020.836317	3841.087033	4030.659401	3743.396997	2928.053178	2812.055169	4681.451277	4893.85837	3268.934418	3004.656398	2676.62038	4502.763672	4759.938567	4785.160436	4422.726067	3802.446486
13.73_928.4926m/z	928.4925817	13.7301	neg													944.6981417	970.2239234	830.1972351	816.1895065	2397.374492	0.000297236	0.000297236	825.9483222	2523.087197	2963.134825	1829.289808	1643.001313	0.000297236	0.000297236	760.0142971	3663.569437	2650.663582	0.000297236	0.000297236
13.75_230.9878m/z	230.9878188	13.75053333	neg													1218.101109	1022.316335	1104.765405	840.6403738	965.8510561	1005.495055	1352.661034	1060.514329	1060.495455	1008.661214	1384.526888	968.8089813	1017.094313	785.3940154	1105.881128	1023.645227	1098.74008	1311.690662	1004.351436
13.77_247.0003m/z	247.0002746	13.7714	neg													55069.43128	56008.88349	55959.75302	56687.07934	54002.11299	58235.81022	59809.39903	56739.76831	57733.42224	57568.20551	59848.56699	54219.19711	53213.65753	54045.41438	55521.85025	59013.28614	56311.34934	57312.16228	52624.09188
13.77_481.0185m/z	481.0184987	13.7714	neg													8816.658316	8426.006776	7883.770238	4921.430211	10124.03135	7281.676284	8520.048675	8977.933082	9450.356159	8071.393753	8741.141457	7464.874348	6674.624616	6664.912519	5986.687935	10334.92148	8714.956541	8441.798955	6340.257742
13.77_497.0237m/z	497.023728	13.7714	neg													4897.241992	5482.052951	5224.981049	4847.343032	6331.815968	6174.852182	5507.495649	5006.517001	5498.263145	5965.216787	6595.05094	5438.20409	3964.78701	4810.989326	5275.229741	7471.661986	4432.947504	4681.559229	4685.066496
13.79_214.9929m/z	214.9929499	13.79233333	neg													1020.151205	1005.442426	1320.42405	1414.199594	1366.943805	1445.098806	1198.458269	886.533057	1269.464958	1491.134172	1668.573347	1198.939915	1122.548799	1491.850855	1321.592742	1251.099521	1002.855669	1165.377018	989.4166802
13.79_231.0051m/z	231.0050969	13.79233333	neg													35505.65268	35913.20252	37152.44563	36903.16523	36473.34279	37189.23148	37805.94566	37314.45706	36364.30136	37136.46723	38747.79368	36062.74465	34480.58708	35625.408	37090.39704	39144.22194	36382.57305	36363.01445	35148.4831
13.79_285.0162m/z	285.0161699	13.79233333	neg													1783.72673	1932.148857	1632.978428	2120.141004	1470.475302	2205.406132	2288.76237	1575.706753	1919.726002	1860.878622	2303.527692	1610.738206	1762.851364	2134.029222	1506.732622	2261.127691	2112.753775	2695.717355	1927.906116
13.79_294.0133n	293.006061	13.79233333	neg													100963.2875	96778.28531	97004.72041	100258.0551	99876.06928	101471.9461	101223.4034	103637.9614	100269.7899	104794.8537	104942.8604	99592.94632	91720.70952	99521.37932	97515.88606	107385.0808	96880.37579	107187.7222	97911.20586
13.79_355.0007m/z	355.0007372	13.79233333	neg													5480.344629	6123.697069	5494.900048	5466.734428	5604.324931	5133.552201	6746.447844	6334.859199	5516.899975	5468.695939	6436.15845	5820.132581	5290.843158	5902.381189	5827.854994	5675.614877	5588.869985	7203.617068	5525.946982
13.79_365.0041m/z	365.0041321	13.79233333	neg													40752.43586	44922.12348	42665.01041	46057.78271	44667.0892	46441.83853	44710.01733	46421.9837	45526.20626	40616.57224	43708.64759	42269.88978	37504.50023	43735.4683	43036.16222	47286.61867	38235.18546	40072.02883	37690.11312
13.79_365.0234m/z	365.0233692	13.79233333	neg													9060.812944	9262.894499	10112.6934	10534.43823	10345.5104	9320.45912	11534.76612	8932.310045	8957.329529	10012.6221	10796.16785	10328.6178	7818.576325	10190.50335	9192.625393	10826.17942	8858.022646	11113.07012	9153.86509
13.79_396.9916m/z	396.9916038	13.79233333	neg													1505.090062	2198.461043	1969.961708	1326.186061	2075.86195	1436.970835	1117.251283	1502.132294	2612.495408	1695.146688	1468.614052	1869.73156	1503.417504	1873.804472	1669.933727	2303.706553	2231.66437	2626.515929	2492.569942
13.79_403.0013m/z	403.0013175	13.79233333	neg													11156.9159	12059.11687	11067.53332	12126.4335	12952.59801	11041.33169	12932.21437	13336.0178	11560.44322	12467.85162	13731.6993	11839.30475	10063.17745	11245.91055	12313.10968	13717.24133	11272.55051	13367.91798	11432.70767
13.79_415.0199m/z	415.0198521	13.79233333	neg													9323.411588	10196.93143	8020.277357	9490.71859	9821.222102	9277.65673	10937.24871	10538.62968	8746.129774	8343.864669	10659.07551	8048.088692	8198.843851	8402.984396	9476.729891	11608.14743	10339.41397	9879.969755	8718.679084
13.79_429.0168m/z	429.0167547	13.79233333	neg													2658.852603	2199.217125	1738.572707	2942.847701	1511.395329	654.7279265	854.2289707	2977.970469	3062.976819	1684.394082	2046.907941	1436.394678	2040.768799	1575.488356	2105.205915	3350.330667	1748.738943	1652.305209	3276.173305
13.79_601.0294m/z	601.0294	13.79233333	neg													9594.129211	10278.6403	6834.570465	10260.40254	11649.01651	10458.14089	10575.46978	9691.508605	11184.74701	9227.292473	11039.3061	10205.71394	6777.69688	8590.789122	8195.886701	12124.58449	7962.400408	9749.359301	8208.569094
13.81_183.0096m/z	183.0095645	13.8088	pos													5243.635074	5359.819826	5819.65823	6155.822406	5331.168028	5283.505434	5505.993309	5246.90785	4368.250125	5073.240236	5628.889814	5555.908085	5737.901228	5985.317744	5491.259892	6422.90674	5739.030634	6169.235562	5702.015125
13.81_281.0040m/z	281.0040378	13.81305	neg													31194.22867	31813.28742	32314.73393	32650.78705	33221.5826	32572.13445	33340.5064	32598.2599	33212.03066	32769.1328	36021.95351	31136.3031	30706.73166	30314.9899	33207.70242	34172.18183	32865.1103	32612.79347	28850.09029
13.81_314.9884m/z	314.9884393	13.81305	neg													67290.2625	60457.39281	65083.35209	69499.67724	65131.55618	64113.35307	65959.8172	64230.90218	64887.52215	68270.4635	72419.00374	62770.90145	61623.23164	63699.99351	64603.46782	73096.74236	62376.18917	64931.59777	62935.15661
13.81_451.0019m/z	451.0018949	13.81305	neg													10947.24915	12507.77359	10680.97199	12936.43843	10131.2365	11123.60164	13246.61123	14606.79123	12952.79541	12056.93506	11258.70618	12528.34513	12700.40777	13905.7418	12515.2079	12669.63018	11768.03128	12234.32811	12748.29395
13.81_549.0178m/z	549.0178063	13.81305	neg													5604.021103	6216.545098	7596.872155	5675.909339	6387.843437	7979.455108	6449.989668	7585.389263	6556.75525	6519.924596	7292.326931	7017.434728	5646.858932	7714.387471	5835.423742	6762.789594	5808.113819	6343.358153	7818.240337
13.83_116.9680m/z	116.9680031	13.83306667	neg													382.4326964	409.0455197	390.3318983	287.2921708	62.6771982	355.0115628	295.179392	346.7955815	435.7300516	300.7197078	406.7432032	441.447506	543.3729039	265.9532876	304.5724553	369.7241025	416.5024619	440.7161013	381.1418609
13.83_387.0080m/z	387.0079811	13.83306667	neg													43448.09943	43025.96679	43282.54891	46305.53966	46435.8819	45185.39753	48532.80734	43229.68193	46695.43418	46675.25828	49915.87946	45426.18553	40205.54616	47411.21746	41487.86301	48376.88328	46024.58742	46739.90851	40057.79478
13.83_503.0137m/z	503.0137471	13.83306667	neg													5141.828528	6588.085658	6150.975175	5057.156573	5877.053826	4299.165291	4909.249733	5493.920144	6131.927978	5549.752491	4846.081906	6076.718794	6137.748392	5571.875017	6520.601242	5951.586388	5083.923881	6568.62047	6196.934635
13.83_507.0085m/z	507.0084915	13.83306667	neg													8376.769223	10013.5407	9039.944725	10066.12395	11901.11935	10662.60095	10146.1188	11912.86326	12133.62588	10206.30107	12940.7955	7595.407048	8399.184018	10773.6509	9555.474983	13279.15552	10131.60764	10386.51301	11103.44869
13.85_240.9897m/z	240.9897143	13.85333333	neg													48311.25603	48727.80114	45341.21872	49562.26611	46933.84974	47764.32015	49890.46225	49809.20982	49016.56909	48801.5098	50126.24377	47852.49678	45368.79113	46341.65836	49493.73732	52281.10526	48118.9007	51616.42315	47078.24972
13.85_255.0054m/z	255.0053773	13.85333333	neg													1492.454976	1252.778776	1874.046686	1981.883842	1712.188087	2124.162541	2282.801665	1802.507052	1609.08067	1764.477675	1816.217132	1300.788887	1359.253342	1705.338298	1845.982247	2236.486916	1409.518084	1925.100486	1958.856361
13.85_384.9923m/z	384.9922807	13.85333333	neg													1033.598892	1864.562922	1522.607263	1732.968258	1638.939093	2062.95927	1770.034712	1983.393972	938.6892929	803.6571908	1048.130648	1922.209375	1624.698968	2503.975604	1276.861772	2048.783717	1715.198697	2197.207668	1946.074595
13.87_319.0381m/z	319.0381314	13.87431667	neg													2066.66874	2756.629823	2009.810216	1756.33078	2162.223024	2393.039854	2024.01514	2813.022259	2302.542847	2435.521696	2037.867429	1855.222542	1236.927301	2168.769708	2012.448932	2577.246338	1920.341334	2391.4164	2084.740278
13.87_321.0172m/z	321.0171639	13.87431667	neg													34971.76314	32951.11615	33354.48939	33719.8323	33415.78995	32603.84578	34991.59319	37793.89947	33198.38433	34481.07582	36969.94763	33347.28497	29376.92059	32554.81416	34044.65978	38867.80186	31918.44654	33998.31901	32069.11398
13.89_305.1562m/z	305.1562263	13.89188333	pos													3338.987212	4039.656938	4852.18873	4686.27042	5008.825345	4786.402521	4482.803143	5377.631221	4320.698885	4790.628457	4915.912303	4252.120956	4502.082914	4499.936729	4695.723428	4859.655167	5777.107771	4977.619407	4474.04712
13.89_533.0054m/z	533.0053541	13.89468333	neg													4799.322336	5327.495901	4927.203205	4888.272025	4451.858539	6707.153483	5645.306764	6007.760277	2272.173555	5766.399603	3599.031925	4684.823448	6418.958435	5469.981251	4823.760269	5962.544787	3189.85726	2982.841892	4492.45251
13.91_261.1303m/z	261.130316	13.913	pos													165452.0632	111762.8117	168611.582	172888.5153	158757.215	160987.2318	166878.3619	167717.0732	161057.5609	169035.2997	172342.9599	129869.0407	155169.319	155700.2052	164108.5191	171490.513	167941.6296	175586.7105	166905.3446
13.91_561.3962m/z	561.3962175	13.913	pos													11112.14973	12046.43359	11704.3357	10796.144	12327.99304	12272.75948	9882.454854	10900.99392	10289.57743	9993.248317	11083.1421	13249.29596	10771.99342	12273.94596	11814.81188	10399.80205	11918.44277	8158.206415	11721.88016
13.92_146.9814m/z	146.9814228	13.9155	neg													70.53926008	97.07950382	90.59200668	91.87452772	0.000297236	87.81625034	87.88228983	177.0308129	95.25128607	0.000297236	0.000297236	253.2778065	206.4510242	236.005536	164.1834409	181.3464776	161.5522723	183.3841141	67.15399604
13.92_230.9878m/z	230.9878066	13.9155	neg													1249.505922	1066.495161	1052.111572	1227.167192	1193.667589	1215.009053	803.3978975	1090.026652	1167.023595	902.4080043	694.1444215	1195.881817	1100.947154	1253.826979	1103.284085	1308.137735	1370.823239	1239.137378	1059.427551
13.92_236.9989m/z	236.9988629	13.9155	neg													1200.016596	1075.974521	912.1915785	1378.174023	1151.699768	1266.693515	623.875545	933.3780347	627.1497473	855.1833301	1479.393094	1267.176899	1280.755415	1489.494084	591.0144437	1506.836541	758.0392655	1033.443236	1437.500512
13.92_296.9973m/z	296.9973462	13.9155	neg													135407.7273	141653.7323	138414.4863	141585.5168	141237.9717	139902.2076	146268.4372	143864.8664	143419.417	147010.7248	150307.1814	129257.3398	131494.3221	137148.3887	140730.4535	146149.0464	137271.781	145141.5263	134182.2926
13.92_539.0136m/z	539.0136406	13.9155	neg													6605.118906	5163.533076	3643.793304	5984.748459	6838.752045	6959.636491	3888.286639	5645.709622	3112.03694	4633.125332	6744.691915	5368.350642	5350.62182	8121.03761	4544.375149	6685.446249	4088.304524	8290.107257	6294.889949
13.94_236.9785m/z	236.9785387	13.93576667	neg													1136.928327	1469.724586	1432.219032	1513.184397	1381.836986	1337.163197	1508.360987	1247.581296	1586.40682	1247.439259	1537.636145	1318.863037	1220.757076	1264.056897	1396.607372	1112.018306	1735.668156	1391.737882	1487.456362
13.96_258.0124n	238.9941544	13.95661667	neg													236268.7717	238689.7505	237377.5737	243933.8701	241879.2202	239317.0459	253731.3878	249650.274	246851.4886	250542.5666	262436.755	230971.1983	223175.423	234954.1458	243448.0162	255737.7191	235538.9466	249823.6194	230302.9831
13.96_411.0074m/z	411.0074042	13.95661667	neg													1938.504004	1381.986555	2106.904505	2418.407348	1511.247146	1257.575564	2343.184189	649.5484972	1711.093432	806.6299446	2741.058611	2289.592163	1495.533341	772.7240676	1796.147277	886.1899397	1415.21091	1818.155237	2550.591565
13.96_555.0071m/z	555.0071169	13.95661667	neg													9496.364799	9397.073478	9778.131938	9480.737518	10472.59034	7422.742908	10217.82773	10842.12902	8996.886501	10320.02823	10468.64648	8120.350668	7797.741299	12116.13521	8658.867892	10560.73903	10102.36126	6192.692831	11086.5596
13.98_457.0095m/z	457.0094979	13.97741667	neg													11668.77872	11114.70287	10465.8451	10717.32923	13311.71475	11386.24055	12502.14229	10813.08062	9067.114113	11036.75122	12697.00795	11602.17644	9775.487323	11167.27429	10339.22677	14290.14982	12014.59833	11598.79434	12207.92704
13.98_633.4533m/z	633.4533421	13.97735	pos													34151.66028	38273.64906	34310.4403	31723.8892	30773.76966	30524.87368	32496.15147	33532.32075	35939.36308	33086.95628	38667.17545	36905.43734	34144.01081	37603.86949	39651.78234	41631.51577	41353.30852	39922.6221	35738.7953
14.00_183.0096m/z	183.009608	13.99896667	pos													6381.076757	5224.230589	5164.509033	5647.113324	5130.956735	5200.353742	4943.234495	5483.741666	5820.16805	5117.261711	5422.86341	5429.079479	5648.255076	6362.811364	7011.852255	5832.957983	5445.144908	5485.212372	5805.553829
14.00_265.9985n	310.9966405	13.99761667	neg													234357.7734	230796.4645	228238.8637	235660.612	232964.8857	236951.8492	237891.7303	238410.6414	235076.7003	239133.4664	250397.0899	221844.3318	225120.5026	230244.8824	239435.5524	247753.4479	227023.6879	244615.7462	223091.829
14.00_276.0028n	256.984991	13.99761667	neg													212115.0128	211611.1108	210497.8597	217306.029	210577.9022	210068.8978	221829.9481	218928.0932	216808.735	225180.1927	227131.1416	199377.8462	199683.5163	208283.9123	213475.5618	223991.1981	207877.1738	220877.1926	203699.2994
14.00_339.1994m/z	339.1994384	13.99761667	neg													417141.667	422498.8134	430418.0393	326651.6499	322003.8138	316917.89	365714.1658	285465.554	313829.9175	266057.0753	327325.6845	331395.6152	280410.0552	292403.7486	279238.9976	259656.1302	289953.9115	322140.4704	260337.1786
14.00_431.0135m/z	431.0134703	13.99761667	neg													6868.75666	6502.885535	7025.173713	5955.570982	8543.157053	5688.694803	4333.281349	4377.185832	4716.173272	8708.00507	5219.692886	4047.773778	3198.495521	4948.817586	6334.316237	5358.032407	5028.153302	8303.886415	5804.187568
14.00_507.0079m/z	507.0078795	13.99761667	neg													6680.325005	7173.279777	6129.039188	9191.372101	7770.361822	5160.318901	4131.061021	5097.966347	4460.839026	6582.165834	5764.907124	5924.066275	4457.09042	7559.137335	6014.222364	6177.388935	5704.980538	5642.152137	6409.064577
14.00_549.0170m/z	549.0169964	13.99761667	neg													2309.192735	4279.080447	3548.912296	3699.068715	4648.906749	4852.032284	4708.025407	3723.642343	3298.517549	5281.552982	4777.024705	3539.847688	3087.619581	5129.836149	4877.811171	6579.26404	4129.120333	4470.840619	2766.794982
14.00_583.0366m/z	583.0366212	13.99761667	neg													3951.835499	2877.691138	3837.865958	4165.839261	3593.730974	2625.584509	0.000297236	1806.658869	1833.389364	2287.224128	2718.403141	3018.659942	1777.87543	4758.253551	1472.932284	4756.451803	2618.462964	2651.659496	2065.841866
14.00_601.0280m/z	601.0280273	13.99761667	neg													9390.213875	6961.889599	7391.22934	8835.870827	8196.518189	7505.673002	9274.253983	5343.433619	8211.511065	7853.626803	6064.294286	7766.437725	4628.406572	7271.375387	6663.132719	6604.943178	5674.69076	5282.462722	8155.990365
14.02_282.8465m/z	282.8464737	14.0178	neg													1009.022895	795.0309093	1299.414234	1663.18616	1288.783088	1155.396725	1004.445498	702.3660091	1132.898513	971.8722631	1523.333484	1177.582583	1496.780769	1212.215686	1182.967872	485.0279955	1325.758165	1037.163037	1412.789736
14.02_587.0128m/z	587.0127609	14.0178	neg													6793.015021	4107.298879	5501.655133	8183.459195	7168.644202	6260.429879	5925.568047	6140.027823	5698.154597	6058.179993	6999.197965	6337.907812	6670.653097	6541.746072	6370.813146	8474.427351	6216.614276	6844.036514	6503.433724
14.04_284.9970m/z	284.9970338	14.03846667	neg													2191.651147	2827.284625	2673.493637	2713.919286	3036.996289	2233.590966	2211.093263	2896.190278	2585.615516	2783.540252	3031.639263	2201.420508	2713.451571	2561.952081	2576.155682	2811.862186	1922.926542	2470.202773	2380.415725
14.04_445.0103m/z	445.0103396	14.03846667	neg													15699.94157	13085.60694	12738.2305	14626.84898	11523.7996	11111.95264	13289.23964	11469.93669	14446.05477	13261.12904	13092.34697	9501.963271	11797.19478	11598.56016	10293.76435	12834.30129	12910.0449	14006.13042	12102.82517
14.04_500.9992m/z	500.9991635	14.03846667	neg													4387.881106	6030.3038	4655.41936	11740.2777	6795.015786	5515.492229	10149.39383	5725.292514	4934.489229	6048.506671	5437.218064	3862.219269	4022.417129	8428.820501	5258.591084	7272.456307	7077.13811	7145.989224	5718.321246
14.04_551.0317m/z	551.0317216	14.03846667	neg													5763.473565	6303.607587	8335.688194	10915.80852	6602.187281	8721.588737	7736.893207	5288.20403	6591.36339	5960.891484	8858.352164	5313.151748	3455.063722	8853.40829	8701.623792	8464.027695	7629.84159	6921.508549	8978.295075
14.06_306.9829m/z	306.982929	14.059	neg													1085.61762	1319.232971	1749.898698	2066.993155	1953.253603	1520.512842	1777.67931	1129.228775	1562.409681	1118.52804	1726.507702	1501.192976	1176.271125	1747.752826	1251.174597	1146.459627	1408.52693	1533.159108	1492.803342
14.08_188.9485m/z	188.9484715	14.07871667	neg													10245.91332	11665.72078	11755.64866	10291.13538	11133.01959	11044.71122	10839.80862	10817.74232	11473.241	11170.62502	12368.68958	11970.65955	13713.68657	12532.4733	11791.57115	10961.24888	11782.02563	11758.60852	11763.50782
14.08_285.0163m/z	285.0162813	14.07871667	neg													1100.014602	775.246837	1103.436539	1182.692369	1331.103537	1314.450085	954.0429754	646.1759444	1222.676727	1254.548112	1175.892232	757.3834256	751.4334694	822.5764573	892.7360188	729.4266819	1236.420153	631.5443516	858.1802115
14.08_337.2051m/z	337.2051465	14.07871667	neg													19244.62367	16554.9936	16831.7034	7786.229635	8704.357404	7823.0853	10622.05041	7189.340267	9279.995494	6421.701265	9286.033475	8229.144244	6124.527481	10188.73355	7106.46782	7040.874906	8015.79484	10261.33757	8034.02895
14.08_365.0236m/z	365.0236083	14.07871667	neg													2305.301178	1788.180935	2099.695059	1894.074297	1496.911524	1862.813072	418.9826083	780.4708808	1547.921786	1545.018755	915.2783543	885.9898605	973.4078914	1279.517087	1617.30259	1195.601041	1358.803379	2101.348118	1482.678524
14.08_517.0109m/z	517.0108817	14.07871667	neg													9559.909206	8405.68141	9938.065983	12906.7268	10883.53725	12061.56771	9662.106908	8413.436383	9217.962703	10439.56415	10665.05396	7567.880187	7886.159174	9461.53056	9852.473652	11457.18117	6729.483773	9608.3799	8025.692742
14.10_230.9876m/z	230.9876339	14.09905	neg													2117.76911	1899.17534	2300.358498	2349.700411	2221.404622	2238.513721	1914.784009	2347.564764	1888.63902	2152.37168	1886.944833	1936.285397	1864.730164	2328.87632	2503.969864	2230.839545	2231.716949	1707.950107	2318.153486
14.10_366.9827m/z	366.9827178	14.09905	neg													1613.537656	1546.090448	1543.045731	1109.541817	1422.725035	2600.609579	1541.247829	1179.113301	1793.353651	1067.038739	0.000297236	0.000297236	1626.136871	444.9094918	1707.219047	861.8937863	374.7323881	1643.09171	1540.961704
14.10_388.9856m/z	388.9856371	14.09905	neg													6594.623633	6356.739643	5649.193473	6270.639688	5008.269948	3373.600843	3863.961275	7115.786364	4603.225331	4321.168702	3786.685006	4161.727423	3470.898356	6309.412471	3387.020926	5527.235456	5094.05346	3813.558636	5891.383608
14.10_395.0133m/z	395.0132867	14.09905	neg													1774.125932	1820.660948	2737.650403	3976.546128	1977.149003	3732.920509	3310.414292	0.000297236	4176.645336	2455.715051	1945.718674	2170.432842	1704.249841	3481.484381	2491.746797	3981.899267	2431.220074	2723.018497	502.0557386
14.10_411.0071m/z	411.0071125	14.09905	neg													1743.041901	1807.99444	1337.935839	2947.033971	1632.897792	2050.37991	2782.42617	1991.990899	1574.832972	1216.447783	1401.768821	690.8427949	0.000297236	1485.154822	3378.215777	783.8527284	933.4974729	2266.763755	896.4341297
14.10_475.0028m/z	475.0027891	14.09905	neg													2177.020865	3153.665601	2943.708463	3502.995579	3789.436697	2148.338738	764.7093507	2228.13707	2912.785309	2473.572675	2495.805171	2646.381978	1660.828305	2304.824901	1408.997329	2384.739281	2098.440041	1753.108149	1858.523379
14.10_926.4839m/z	926.483948	14.09905	neg													77298.09134	118790.1112	91568.56604	113979.8145	99868.89161	104115.6549	90425.77669	120685.921	135094.0189	154106.0434	118665.4648	122231.8067	3090.819707	43801.7326	95933.1884	145310.2705	106624.7657	102374.0983	95062.93716
14.13_326.2869m/z	326.2869395	14.12655	pos													13122.3735	13758.86155	18333.08948	18896.94933	15473.3046	21010.75378	20410.3224	18063.94619	10377.08907	7817.000034	14177.59901	13488.42721	16961.07657	17778.80901	22028.69446	20532.57637	19857.50438	20837.39288	16331.72293
14.14_341.2693m/z	341.2692835	14.13951667	neg													1274.86569	1663.097109	1531.188727	1173.334334	1034.536552	930.7520833	1252.155966	0.000297236	232.1031673	1627.260424	631.466787	311.7502752	1901.814449	1217.334681	1371.893025	2114.789131	1942.944178	1148.111621	1237.696982
14.15_391.3411m/z	391.3410867	14.14813333	pos													10392.17356	10621.4231	12234.31031	11431.69574	11297.51688	12359.12439	11591.98934	11556.03376	12067.99833	13213.22272	13501.98339	9401.66207	11479.07242	11251.0738	12372.0368	11433.37906	12365.59163	11002.68505	11088.92466
14.16_442.9969m/z	442.9968516	14.16005	neg													4065.682125	3060.867926	3852.397716	3013.008012	3117.706749	1963.604946	3287.65114	3539.641049	2169.471424	3156.923954	2697.357566	2287.325243	2357.727084	1693.730489	3585.47877	802.2929871	1792.140109	4852.636439	3839.289874
14.17_144.0386m/z	144.0386051	14.16985	pos													2617.845967	1807.424447	2121.881027	2152.337615	2095.554859	2153.160422	2242.690074	2121.03439	2604.007061	2269.76803	2650.878399	1823.333967	1855.601865	1970.828002	2204.129463	1892.116876	2066.123595	2025.605607	1906.625331
14.17_163.0975m/z	163.0975266	14.16985	pos													675.5264846	572.2270512	827.1604614	0.000297236	1191.852169	349.4137669	1370.750933	1674.297758	0.000297236	396.4207054	1115.863287	0.000297236	144.9767687	0.000297236	39.00620085	0.000297236	1225.101647	487.6831334	35.02417695
14.18_269.0051m/z	269.0051156	14.1807	neg													1409.443005	1168.413085	1175.678516	895.7910462	1170.541768	639.2709683	1286.392832	943.935521	954.8975703	781.234469	1394.442134	1160.46941	933.7498622	760.0243061	1705.296035	1530.181369	732.2259427	1080.851996	736.2663706
14.18_280.8981m/z	280.8980544	14.1807	neg													8642.580537	9323.181749	10283.74117	11171.17539	10599.77515	9412.369312	9921.523502	10315.4755	8922.685927	10826.37155	10755.62463	12572.70911	13986.55384	12120.51154	11791.68094	10374.17013	11149.48572	11047.24022	10158.39294
14.20_366.9828m/z	366.9827525	14.20081667	neg													1757.817837	1956.407822	2365.036346	1758.187833	1924.66733	1287.705108	1817.180906	1834.223834	1316.070645	1572.106922	1267.90175	2619.221371	0.000297236	761.1755326	1359.243865	0.000297236	1000.146331	2047.713467	577.818242
14.22_132.8714m/z	132.8714161	14.22103333	neg													258.8419771	156.4546101	175.8218862	397.2613528	428.9643975	169.4928956	138.2998458	223.5345354	125.3658409	181.810166	332.5112123	355.7792294	199.0779206	140.7640288	148.0330265	193.4609629	384.3097673	377.1554379	209.4321142
14.22_306.8229m/z	306.8229211	14.22103333	neg													19040.05494	19398.89052	20776.76886	21320.46116	20600.02706	20436.85784	21743.7406	20012.46795	17571.51437	18781.89643	20995.63591	22939.93988	30728.09993	24358.44992	23729.6612	21424.08837	22301.35891	22128.25835	20895.37074
14.24_287.0124m/z	287.0123963	14.24176667	neg													2535.781737	2291.139084	2594.596309	3856.897538	2247.108016	2180.083615	3330.509346	3019.128603	1697.434245	1230.100803	1929.517038	4193.05843	3515.535893	3018.434625	3193.123878	2621.06688	1363.783875	915.2219605	1408.622643
14.28_196.9830m/z	196.9829987	14.28153333	neg													29143.62116	25008.24511	25968.11249	25761.5014	25971.16612	26094.04116	27949.94248	25210.98141	28603.44904	25823.73983	27698.71547	26636.66417	26249.04119	28004.15749	29062.17445	29722.60061	26293.41111	27318.04022	27189.92772
14.28_265.0100m/z	265.0100204	14.28153333	neg													6580.181158	5057.700822	6990.62643	5948.192563	6060.506188	5909.072276	5808.394991	6936.785395	5220.770991	5919.272811	6451.001492	6160.092834	4651.08718	5330.827072	6047.416405	7421.283799	5292.544665	5595.216368	5958.101071
14.28_272.9971m/z	272.9970804	14.28153333	neg													2962.764798	2515.643692	2588.176042	3260.638171	2466.473054	2492.575468	3097.0801	2071.615911	2460.977182	2124.924502	1897.191396	2596.373564	1735.696294	1347.293335	2013.499771	2345.893595	961.2514456	2477.046553	1708.22434
14.28_324.9926m/z	324.9925569	14.28153333	neg													91141.31169	91907.07625	91106.87295	94690.76866	90888.11346	90842.37315	93402.06267	93609.80921	90920.15429	91966.19268	99275.75567	84188.0791	85201.79947	87923.12978	93553.93456	98407.007	91218.3306	98533.51627	90223.7904
14.28_458.9892m/z	458.9892443	14.28153333	neg													8919.171444	6933.86415	8569.557684	9886.89276	11156.97375	6110.91416	7582.744309	12095.24104	6676.237778	8850.066582	7781.096115	8815.742335	8152.565008	8236.499173	7488.931539	7460.075803	6119.208781	7459.169965	7465.583256
14.30_100.9245m/z	100.9244973	14.3008	neg													61046.13679	65639.45036	64503.76228	67985.51685	66435.96737	66885.87821	69221.7473	67852.71035	68052.96138	68192.94124	72458.10976	59559.60749	62405.6108	62564.25197	64077.80898	65487.34894	64025.04636	68075.41044	62204.44994
14.30_100.9320m/z	100.9319687	14.3008	neg													2742289.962	2892764.961	2820439.525	2942908.648	2892182.246	2944932.002	3006519.366	2949641.344	2929143.362	2936976.042	3135278.911	2641823.206	2683445.236	2692443.48	2807118.831	2883647.165	2770678.038	2927123.654	2724252.692
14.30_100.9647m/z	100.9646774	14.3008	neg													162.0016776	166.4633691	156.6104088	68.52472008	68.81865173	64.32865108	147.6075345	59.64490789	132.4985786	180.6216259	270.9510439	148.073768	243.2546388	56.91939759	199.8535881	0.000297236	239.8661718	150.6019295	69.3811844
14.30_102.9362m/z	102.9362081	14.3008	neg													9654.057132	10027.94847	10199.32042	10583.0274	10302.04667	10375.90214	10469.3334	10129.51626	10598.72853	10152.08499	10997.86275	9267.230793	9557.94886	9574.313032	9877.119868	9947.371243	9619.024594	10366.17853	9808.991244
14.30_115.8787m/z	115.8786636	14.3008	neg													21050.08423	21087.23032	21891.22857	23012.63248	22536.48473	23307.58056	22378.47573	22679.80503	22471.42279	22643.30955	25152.84199	20697.42751	20200.11565	21599.9652	21821.9657	23302.72238	22438.10363	23521.58994	21182.1254
14.30_115.9192m/z	115.9191681	14.3008	neg													24971208.09	26049953	25511099.15	26663985.01	26171486.12	26374102.31	27185523.63	27027441.11	26835861.97	26806367.24	28346578.18	24047471.45	24788810.69	24750858.8	25565311.21	26149725.95	25323714.75	26784337.03	24641847.77
14.30_130.9275m/z	130.9274855	14.3008	neg													160805.8102	172767.7449	168210.7753	177165.0674	170079.6114	171065.2	179886.6467	179585.9082	179967.5223	177195.3881	185473.4194	162003.9173	164069.0514	167681.2406	170543.7871	171940.0405	167131.0325	177924.4853	166759.5954
14.30_132.9220m/z	132.9219646	14.3008	neg													3919383.104	4086634.009	4049420.106	4239097.794	4085404.167	4128231.389	4239575.056	4188240.606	4196272.116	4162278.034	4412520.932	3833356.866	3914507.115	3977625.885	4085660.427	4162813.316	4020227.722	4273398.132	3953195.581
14.30_134.9260m/z	134.9260129	14.3008	neg													6953.34448	7062.270719	7057.283026	7607.989985	7220.319398	7324.734829	6799.134736	7567.632751	7408.38976	7122.397791	7932.558406	7532.860488	6767.167537	6817.47535	7329.845751	7747.45474	6896.059124	7152.898646	7169.044532
14.30_139.0005m/z	139.0004701	14.3008	neg													37494.34017	37558.89361	38162.64434	37236.09056	38146.08616	37615.34577	39116.91874	37467.50955	37931.66579	39063.51822	40390.90334	35778.77584	34481.4017	36296.76933	38627.08368	38604.36926	36922.32307	39920.81782	36069.00385
14.30_144.9220m/z	144.9219631	14.3008	neg													15392577.7	16101013.88	15930569.06	16571400.72	16189365.63	16378328.84	16888603.2	16531733.84	16506549.95	16427625.83	17398973.64	15133634.52	15451924.59	15501217.41	15998262.99	16440575.29	15660849.35	16649509.93	15452189.62
14.30_153.8672m/z	153.8672242	14.3008	neg													1520.119389	2390.237765	1967.627029	1860.86945	2219.898046	2137.635564	2598.476249	2263.353994	2400.00291	1726.700027	2369.451977	2218.55993	1642.334504	1732.855147	1968.665906	2024.725156	1672.014879	2294.338336	1935.731357
14.30_155.8641m/z	155.8641077	14.3008	neg													888.3132178	625.8700726	892.0838509	580.886084	1214.528266	987.5126189	1326.354279	310.3269919	633.0379749	590.6184875	988.9188446	904.9150275	884.4626868	928.1308246	872.1032552	962.0968272	712.14864	1488.89353	928.5838489
14.30_161.9122m/z	161.9122415	14.3008	neg													59381.85119	52992.52555	56505.18096	56762.65896	55078.08803	52528.08239	55836.9378	55004.45004	52356.31687	52897.24344	58843.3552	59019.11483	63936.28383	59932.15741	62092.92682	57674.70671	56290.13232	59614.18835	54532.00031
14.30_162.9973m/z	162.9973411	14.3008	neg													23623.52133	24274.97998	23459.20769	23395.3294	22914.35318	23591.58723	25008.05779	24249.63063	24081.52895	24578.37557	26178.05151	21395.208	20798.92983	21748.31325	23034.23279	24856.44799	24021.63008	24484.026	22008.66641
14.30_163.1228m/z	163.122761	14.2988	pos													6423.857629	3863.364827	5478.49351	5642.523913	5582.120022	5701.721985	5741.580061	6457.61176	5733.406197	6268.351366	6248.180108	3255.382084	4508.831733	4293.922981	5212.921613	5818.260085	6034.123151	5598.729251	4810.819627
14.30_173.0218m/z	173.0218362	14.3008	neg													32800.16542	29844.45727	31097.93903	31710.34093	30744.60426	29246.36256	31567.94737	31160.36415	31049.21279	30626.43609	31811.08553	31248.07592	29985.40568	30730.74544	31849.57637	34103.73313	30402.50483	32268.6116	29677.43225
14.30_176.0052n	351.0079761	14.3008	neg													226698.1971	224793.8786	222847.3473	231188.7066	225211.6179	222878.0603	233133.0202	235722.0738	229033.8786	232724.6574	242235.4951	214234.7038	207041.1433	218351.7874	224205.0496	235126.9471	222448.6876	237357.7835	219243.2158
14.30_176.9967m/z	176.9967495	14.3008	neg													151798.9287	161701.7151	157784.6326	160934.7232	158189.4061	160745.6011	165799.1424	167129.075	167687.5198	164211.6658	174236.3157	153058.3449	144868.5982	150439.8463	157276.7075	165299.8878	157099.4997	162177.2051	153364.301
14.30_180.9879m/z	180.9878632	14.3008	neg													44953.95133	43188.88834	44119.80622	46634.01274	43521.96478	44295.42723	46450.87031	46346.01602	45847.65237	46183.06882	47894.29694	41310.24516	40593.21448	42378.86085	44629.92822	45990.45554	43507.8344	46094.00712	42330.60467
14.30_186.9976m/z	186.9976272	14.3008	neg													1116.354167	1229.329811	964.6239931	546.3611251	906.8849537	684.8837964	815.1592006	1354.405708	410.4723545	1293.947504	565.8089864	1197.463551	1099.92122	919.847955	1398.082877	1376.684683	978.9638522	1088.626153	840.110457
14.30_192.9883m/z	192.9883228	14.3008	neg													30585.15732	29821.57348	31335.94038	31634.23409	30216.03401	30097.68624	29940.51404	31424.40819	32012.27367	29845.19739	33074.87658	28533.72698	27391.34991	30018.80616	30300.41279	31489.14118	31099.88098	33874.0444	28562.99988
14.30_200.9970m/z	200.9970381	14.3008	neg													71059.39084	72030.6339	69968.44509	71687.26379	71145.82189	71197.84192	74519.65404	73551.5551	70923.20203	72848.67228	75825.2291	66867.31229	67170.19434	70208.6093	71286.72902	74426.48153	70060.70359	75730.76167	70256.09819
14.30_201.9051m/z	201.9050571	14.3008	neg													45683.98742	40800.60745	47364.8466	46817.01472	46594.02593	47297.16146	47623.00282	44193.37607	43457.98774	42837.03408	49451.64063	55035.28189	67455.56117	57462.41827	51493.53629	43667.73994	49109.48934	47602.27185	46472.97562
14.30_202.8810m/z	202.8810291	14.3008	neg													14673.81338	14801.80642	16752.45568	16452.72942	14942.45509	15756.07002	16713.97059	16169.80965	13172.17312	15082.53407	16263.59236	18027.56649	21577.15882	18875.65085	17716.64766	16772.15071	18253.75905	17070.09436	16219.13541
14.30_210.0104n	209.0032578	14.3008	neg													249567.2453	247275.8356	247485.0085	255635.1243	249541.7128	250622.5398	260515.2099	257646.8574	257657.7731	255749.8434	267863.9765	239105.9551	233153.1385	240809.1808	249407.8238	262011.9535	245861.327	253423.5772	238942.6299
14.30_217.9001m/z	217.9000996	14.3008	neg													22091.28057	20765.78091	23617.99577	24036.1146	24335.18953	23682.83116	24527.68064	22877.1229	21339.53098	21646.09558	25103.85479	26084.61408	29160.27812	25868.8608	25765.20476	24493.01473	24673.65405	23324.24328	23272.57569
14.30_224.8026m/z	224.8026238	14.3008	neg													28434.85114	22008.6451	24380.58284	25226.52541	23964.23012	23301.02859	24700.09859	23883.40868	22285.23325	22091.51998	21935.7263	31515.16435	33272.50909	31021.06502	29546.89371	27217.02596	26684.33622	27725.79682	24904.23965
14.30_226.8295m/z	226.8294596	14.3008	neg													11990.52768	9831.156776	11818.4782	13353.89715	11531.18223	11060.87612	9624.297796	9330.338845	9068.219845	8232.905468	9777.250702	15757.27932	18425.47763	15311.29069	12323.94122	11717.06078	11438.06841	11429.02396	11228.40586
14.30_229.9003m/z	229.9003103	14.3008	neg													413523.0386	408207.2855	429037.3474	436872.8221	428098.7224	438811.9288	432701.5475	423320.0536	404323.1263	409915.5851	443287.844	460900.9827	550669.5265	481955.6716	473173.2862	439511.7018	439574.2862	464189.0843	425639.2261
14.30_233.0035m/z	233.0035483	14.3008	neg													50841.41796	49168.1376	49861.8452	52223.19328	51372.34103	50374.27397	51749.29614	51434.70402	49612.646	50972.77048	51934.99716	46418.25883	48357.73133	49855.68955	51285.87224	52532.82008	49309.7678	51674.265	50277.7335
14.30_237.0348m/z	237.0348466	14.3008	neg													1470.081264	1505.685412	1293.08539	786.8413647	1342.363691	1532.114495	857.6450353	1127.289125	1305.595235	1154.41449	1052.08618	1840.826353	643.7644161	2047.187406	1430.692592	1357.454132	1475.24024	1670.121782	959.9787579
14.30_238.9803m/z	238.9803207	14.3008	neg													25070.60799	26239.75832	25043.687	24827.42562	26046.02355	24254.62128	26049.11274	25764.30943	26103.43881	26216.17546	24360.81319	23269.5193	21788.61216	24704.9667	25879.84161	27902.84483	24331.94423	25876.81717	24705.82312
14.30_244.9848m/z	244.9848266	14.3008	neg													233599.9396	238646.7822	232783.4063	238773.1459	236431.8797	237388.8782	251698.5029	247651.3529	245239.1235	249386.2028	256506.5914	221728.5784	222094.752	230026.4203	236935.7622	251902.9058	234636.6664	250348.0677	227115.1914
14.30_246.0119n	226.9940404	14.3008	neg													249505.702	257041.4849	254222.4987	266407.4773	256405.032	258809.5174	266899.1645	264525.6984	263747.9984	271983.1482	280966.1863	243591.3354	233108.9509	244888.1577	256401.0957	268400.7658	252275.8597	267006.5943	247550.4652
14.30_250.9944m/z	250.9943757	14.3008	neg													143265.1167	146990.5508	143117.941	145622.1462	142134.9937	145459.3889	152432.3451	148470.0741	146070.7863	146902.4296	156768.1558	133872.8344	136478.5762	141937.8113	147406.6795	150996.2801	142689.7955	148661.4504	137093.8239
14.30_254.9895m/z	254.9894866	14.3008	neg													21787.3881	23137.34053	20392.15288	22367.68335	19091.38512	21875.91768	21761.85401	23782.52272	21391.51282	22330.9586	24714.39356	18282.14077	16901.25955	18236.33489	21701.47708	21964.97475	22003.31205	22657.78686	20070.28388
14.30_259.0007m/z	259.0006942	14.3008	neg													603176.1088	606041.7321	603828.2657	607458.5309	601332.6575	605155.3396	632372.9295	628548.7817	621131.5115	639234.0031	660534.9406	565197.2477	553748.8187	576346.519	605340.1812	639603.1297	593738.7958	628481.1665	580368.8097
14.30_268.9852m/z	268.9852228	14.3008	neg													113169.5843	112872.8467	113320.2115	116334.2352	116363.656	112977.2438	119874.485	117811.6709	118266.3834	119034.9297	125053.8514	104933.2355	109132.8668	108546.1555	114630.1435	120383.3764	112746.6847	123544.9655	109140.3094
14.30_271.0008m/z	271.0007653	14.3008	neg													78668.97581	77346.55762	75204.3179	77231.10072	76780.34299	75316.94435	78586.127	78986.70837	80371.68423	79244.20337	85051.41631	72380.83369	69535.33584	74727.0584	76799.87717	78228.0058	74843.83315	78750.71201	72451.30703
14.30_273.0165m/z	273.0164563	14.3008	neg													262156.1319	262583.2113	259397.5389	265731.933	263418.643	263796.8287	272087.8545	272896.8632	273935.6893	274216.2012	288235.29	245756.4973	243060.2042	250321.078	258821.2042	278288.9892	261075.7047	271136.2184	249631.2836
14.30_276.9913m/z	276.9913061	14.3008	neg													302671.4761	311450.0385	310258.0807	313269.0278	307528.4647	306498.8726	320890.3151	321852.8857	315337.6158	320844.5081	330068.191	296898.727	281019.8518	295165.4608	305549.2454	325796.9859	301745.4805	310882.8695	296126.1601
14.30_283.0007m/z	283.0006531	14.3008	neg													109956.994	111820.2945	111271.8016	112377.1261	112095.2061	110792.8687	117068.6262	117508.1118	114653.7475	120250.5022	119442.0562	106891.9441	103929.6553	108563.9826	115542.6533	118348.3865	112182.5972	117367.0646	108612.2989
14.30_287.0320m/z	287.0320398	14.3008	neg													2073.046359	2047.336078	2602.15455	1964.362122	2307.231612	1493.533367	1692.977296	2218.112107	1291.386176	2132.750954	2297.774643	3003.625799	1886.025612	2200.933748	2550.707537	2617.507001	2018.463574	1847.589104	2274.712968
14.30_288.0034n	332.9977573	14.3008	neg													206443.6115	211351.0933	203588.9231	212001.4874	208430.1398	208042.8225	221025.0307	214529.0882	215638.7375	217418.5392	225581.356	194855.9936	191218.1324	197590.6576	211962.2453	218990.5338	205161.9967	213262.6819	203442.6931
14.30_300.9913m/z	300.9913166	14.3008	neg													152697.1671	154844.9429	156345.9719	155519.6065	157004.7925	156325.2356	161051.2477	160797.0974	163288.0237	165028.079	166479.0687	146993.4253	148457.0802	150985.6629	157106.5116	164277.0885	154954.5924	163120.4327	147322.9184
14.30_305.9940n	350.9884565	14.3008	neg													135386.405	135513.4073	134659.7004	139078.8184	136507.8759	134220.855	142494.097	140482.1315	140584.808	143465.4768	151666.8169	133164.337	127613.7051	129268.2296	137450.1708	145475.7088	135176.0908	144656.331	132431.8132
14.30_308.0092n	288.9914	14.3008	neg													466633.4458	458876.1826	458910.6879	472773.4408	461629.5264	451179.5967	476190.8838	470467.9752	476025.8354	478071.0226	494816.1861	438251.0755	437548.495	454044.3277	474886.2974	496441.0553	460638.3156	483630.3707	440462.4046
14.30_318.0132n	298.9953681	14.3008	neg													88908.24397	86632.03322	86807.58599	87401.84974	86483.65623	85065.62863	87059.36608	83838.5741	86071.58668	87862.70393	91734.12011	79569.79515	78608.43471	81795.26491	85177.44925	90848.6647	83587.00397	86571.39214	81620.24152
14.30_319.0019m/z	319.0018766	14.3008	neg													119519.7203	119521.8793	117770.0429	119735.5413	119030.17	113257.6662	120126.1452	124601.4666	120902.4114	124098.4371	127604.5232	107803.008	105307.5504	115838.5273	118479.9969	125223.0105	117911.6964	123982.2497	113725.5771
14.30_324.2713m/z	324.2712876	14.2988	pos													4654.602143	3102.627071	5527.496644	5145.840193	4906.119824	6369.248551	5804.614805	5209.318175	3699.577265	3954.993985	4747.001523	3777.609116	4976.857856	4662.251423	5886.970383	6532.434099	5227.537514	5757.219235	4745.561708
14.30_329.0042m/z	329.0041877	14.3008	neg													3168.641498	2077.019047	2683.208542	2522.095771	2252.845619	1750.942755	4516.207674	1606.448078	1419.662015	2113.256124	1500.927691	2401.958723	1485.105446	3016.825204	2363.698212	1954.860603	2399.217896	3124.653136	2148.006543
14.30_336.9929m/z	336.9928662	14.3008	neg													109654.0769	110784.2544	108680.7141	112762.3525	109435.3345	109778.1637	114948.2192	111944.0683	111571.9333	113750.2371	119104.5977	103735.6944	98662.19596	105858.9177	111475.8201	111732.9966	105389.5133	113189.313	104935.3276
14.30_341.0037m/z	341.0036648	14.3008	neg													401923.5201	392739.6947	396915.5518	412255.0924	398647.2214	392088.071	408892.0697	405547.6836	410306.2757	403857.5708	422237.3911	387444.8428	368478.2207	392274.6156	400904.0099	424015.9933	392365.2766	409603.5461	391848.2765
14.30_354.0310n	335.0131917	14.3008	neg													78563.86372	80964.27028	76566.45395	74355.84378	76451.84932	76049.52371	82357.68052	78239.25906	81317.67345	82264.39644	88963.71411	73878.78778	68453.91868	72873.14479	73649.36076	84024.64149	76376.47323	78138.50762	73883.54118
14.30_356.9987m/z	356.9987256	14.3008	neg													202399.1336	203409.4812	205506.5708	205272.0887	203415.2594	205276.2491	215067.0753	212521.5513	210665.0455	215756.4988	220621.6591	191106.0834	190992.5265	202699.8507	208489.0333	217216.464	201829.1271	214664.7034	196977.4381
14.30_370.9947m/z	370.994692	14.3008	neg													127279.9983	126500.4088	127282.3959	132979.1642	127199.4103	132834.7263	133143.8117	133491.7271	129824.9086	134696.1621	141705.9137	121939.7864	119314.7613	125332.3801	131957.4653	136995.7703	126767.6404	138556.083	123448.7472
14.30_372.2924m/z	372.2923604	14.2988	pos													142688.8603	114663.272	153921.7569	198280.2306	174673.8609	150541.273	128467.5554	115824.4188	104156.9471	78375.28793	136810.2382	152576.9182	174245.6003	173714.9722	161339.9613	167613.0436	168967.0011	177519.0409	168006.9099
14.30_380.8911m/z	380.8910604	14.3008	neg													3266.406426	3248.5284	4190.133987	2290.801361	2857.850577	3999.929756	3635.704016	2636.631086	3697.708012	2547.060945	2418.658907	4172.571822	6785.965483	3519.261145	3619.158347	4783.790768	4032.733281	4703.74085	2100.588658
14.30_383.1891m/z	383.1891237	14.3008	neg													6238.974479	8394.393551	5578.629127	4450.54889	9222.887734	5919.24304	7452.639936	9036.102963	7052.146548	5387.063225	7550.587356	11166.53649	8112.994819	10734.51841	7637.935337	6982.220059	5220.659633	5689.790803	5901.104944
14.30_401.0050m/z	401.0049674	14.3008	neg													151357.5824	163857.4939	159832.7988	158189.9822	156078.6051	155587.0697	160405.0668	161414.4782	158756.1147	157490.5004	169134.1725	146927.2058	138647.1032	157533.8471	155052.6568	168102.5026	153840.8622	160323.2492	152780.5318
14.30_404.0108n	449.0060103	14.3008	neg													8361.571613	7665.894902	7339.68185	2534.524522	4703.616684	6730.930596	8540.6008	9656.252974	6533.173127	4965.555434	4854.678011	6225.039018	6382.152561	10597.90409	5486.255012	7575.619438	5770.450561	5695.15895	4973.9343
14.30_440.9979m/z	440.9978869	14.3008	neg													256645.9396	261280.5266	262281.7062	268702.3184	269516.3247	263181.4174	279562.5064	272042.7805	274604.9989	281480.4811	290945.7389	248922.0273	246757.3774	258189.3355	271109.167	278621.7207	259512.4427	264492.5711	249184.0084
14.30_472.0141n	517.0100309	14.3008	neg													9520.444592	7431.671308	9811.635009	7092.322563	8366.718769	6983.864168	13723.45542	10334.64257	7987.829385	5709.976491	7916.100804	8204.831546	6034.4932	7674.159269	10495.19882	9546.384783	5953.013348	10647.74435	7776.662272
14.30_493.0103m/z	493.0102811	14.3008	neg													2805.28472	1832.253597	3070.400125	2867.83355	3748.960234	1954.335821	6197.634349	4777.00603	1600.68508	2109.379947	4174.848967	2382.545861	1989.706659	1035.406555	1711.365927	2193.522601	577.3646008	1601.506234	1173.922507
14.30_499.0189m/z	499.0188915	14.3008	neg													3168.519823	3351.083063	4644.743987	2897.537491	4477.588219	2665.677178	2266.948846	6068.47311	5229.75147	1893.231866	2439.17322	4738.65633	1678.06455	4387.506301	3761.360881	3971.14002	3583.118633	2132.646956	1265.085325
14.30_515.0133m/z	515.0133108	14.3008	neg													3729.098952	3942.67501	5671.893211	4871.18648	3334.357496	3911.193754	4923.048121	5471.066753	4030.519883	3015.82457	5737.086594	6237.38776	6236.156559	4023.111295	3087.437568	5521.937419	4548.557048	4586.085112	3183.983746
14.30_537.0159m/z	537.0158796	14.3008	neg													196814.6173	193392.938	202025.8433	197705.9876	195382.1329	196228.3018	203343.584	212132.3663	198986.1893	207383.3444	220829.28	195166.1925	183999.1145	196793.6002	195612.8322	204845.9717	198623.909	201002.8649	183147.6186
14.30_610.1598n	628.1936456	14.2988	pos													77750.43988	49579.92352	78078.63805	60881.45621	59002.88846	56670.80904	57062.42635	55927.63174	53859.07893	57157.51546	63228.75926	51051.56093	59531.10639	62010.50022	76154.906	63316.47545	67344.96057	58408.34555	58591.71857
14.32_100.1124m/z	100.1123591	14.32051667	pos													713.7780213	622.3176309	583.6741791	618.4049045	762.3291625	602.1666977	650.4931544	574.3310435	630.547223	762.2826944	604.744871	706.1748634	622.8342599	690.066202	921.8861962	714.839195	765.6773896	756.1869367	694.8497425
14.32_128.9270m/z	128.9269716	14.3217	neg													348.7904677	445.5245856	402.4466535	609.732009	483.1475094	457.8670495	608.258657	324.7759775	656.6104483	262.1459349	389.5531478	413.8154555	388.189431	182.6441289	0.000297236	498.1635969	247.4901485	502.8716168	330.1070626
14.32_151.0134m/z	151.0133912	14.3217	neg													1795.911889	1468.051276	1277.741855	2092.989333	1575.594426	1787.692716	2050.579968	2067.538506	1787.379398	1754.019681	1737.680393	1165.767978	910.617682	1714.729536	1740.639469	1520.421288	1122.765451	1595.053333	1738.545183
14.32_216.8529m/z	216.8528753	14.3217	neg													217001.0523	231626.0335	231536.9744	237169.9879	236323.4917	242137.4372	242164.7695	233058.5747	229151.7205	229741.6706	250516.9284	235595.7875	275921.8077	246028.4012	239102.65	226070.9161	229273.7668	239889.9085	227300.7175
14.32_226.8004m/z	226.8003909	14.3217	neg													9627.204248	7462.165081	7492.071976	7837.839933	7038.373349	7209.803173	7361.635891	7390.229059	6941.470052	7108.655158	8109.863028	10179.58038	10536.42178	9812.266955	9359.40169	8975.353668	9580.134362	7725.621392	7674.530254
14.32_230.9873m/z	230.9872836	14.3217	neg													2869.318688	3170.110807	2682.076175	2352.65079	2564.100454	2731.499557	2819.814818	3287.23385	2500.687206	2677.192205	3689.111506	3441.594627	3168.219149	2507.034889	2861.474839	3519.102693	3021.535498	3559.117468	2240.070883
14.32_269.0051m/z	269.0051013	14.3217	neg													1986.330532	1398.1136	2337.100996	1080.828309	1048.195111	1918.905626	1598.758481	1310.60406	610.5308318	1167.632541	1934.629036	2150.539852	1424.346607	1413.237288	1210.127689	1454.229009	1263.577299	1236.806083	821.7534634
14.32_272.9803m/z	272.9802732	14.3217	neg													6381.826213	6083.058207	6134.543937	5444.686877	5453.465312	7477.860972	6948.442407	5854.736419	5312.650927	5787.602482	6369.053503	5737.299912	5023.087771	5236.895059	6911.237705	5449.335781	6345.059958	6841.199163	5752.153163
14.32_284.9803m/z	284.9802551	14.3217	neg													1383.761686	1464.273191	1990.326986	1281.820659	1439.841816	1977.865061	2691.082652	1580.80454	1546.427382	1536.575402	1209.778749	2279.447499	292.67027	1234.518173	1293.323465	1397.745973	745.4239666	1248.268792	848.9182479
14.32_284.9985m/z	284.9985246	14.3217	neg													2478.778817	2413.425458	2584.714112	2902.662584	2097.130004	2646.913603	3398.65572	3069.516466	2073.458615	3325.404775	1807.286965	2764.464303	2896.378405	2997.197795	2983.194162	3443.269214	2767.511474	1891.080662	2688.91525
14.32_376.9855m/z	376.9855316	14.3217	neg													117901.1934	119355.8712	112716.0088	119533.8217	119032.8046	117618.2147	121231.5941	119070.4976	120399.1564	125987.7668	126176.992	110277.292	110930.6207	116722.1753	119842.8214	124683.1245	116510.9315	122252.7186	116386.0935
14.34_115.9597m/z	115.9596748	14.34091667	neg													36362.24886	38192.55204	39177.01075	40644.8163	38825.80198	38426.24672	40154.24145	39836.62306	39135.17738	40107.87909	41554.00871	35581.09331	36569.31181	36616.55155	37283.19723	38208.23295	36617.56805	39281.1263	37446.31879
14.34_116.9677m/z	116.9677114	14.34091667	neg													533.8139709	600.7253997	762.0343449	397.8311314	469.5397631	371.8097153	761.2941572	310.0519261	543.7056122	672.8052922	573.1805121	415.0297373	475.9314842	333.7794415	497.4785814	74.74295811	669.0080873	548.4121795	397.2344862
14.34_144.9786m/z	144.9785846	14.34091667	neg													10106.14693	10620.81942	12088.60568	11516.65106	11259.92942	10177.80104	11817.35087	11338.16518	11920.61108	12362.73533	11174.10193	9367.96437	10571.69517	10434.90898	10782.76501	10288.51907	10227.50289	9531.321109	11143.20598
14.34_212.9100m/z	212.9099644	14.34091667	neg													253947.6585	269973.3831	264515.2993	276549.4847	275641.6707	279926.2091	280292.7603	273710.5758	269771.9194	276263.3515	293587.0046	279758.2703	310876.9323	291466.237	286724.6982	276195.0856	270408.8919	292838.1514	270259.1304
14.34_317.0051m/z	317.0051068	14.34091667	neg													3025.86295	3597.495151	4137.133619	1733.997252	2805.435338	2805.092932	3680.00575	2547.060238	1858.871548	2992.092882	3616.66567	2451.734782	1793.417446	1966.622199	3231.424534	3077.555124	2716.582311	1477.300486	3377.277571
14.36_133.0066m/z	133.0066266	14.36138333	neg													335.6269341	265.2897798	292.6748734	170.7747775	237.26567	143.567149	396.6341728	309.0030942	287.8310511	385.8631338	532.1747971	381.2584354	415.2538202	407.6173854	508.9460918	251.3004851	422.2403589	321.5834439	331.4460327
14.36_212.9946m/z	212.9946404	14.36138333	neg													605.3819162	458.2038334	639.8158352	1332.065452	825.0067876	822.9868684	886.3498965	1037.822267	672.024287	327.470765	234.8048298	263.2288182	302.0286853	0.000297236	468.8588642	328.905877	322.1962901	0.000297236	684.7897643
14.36_341.2656m/z	341.2656207	14.3641	pos													27279.53929	16297.53095	27397.19884	26670.28687	26166.78451	24091.31164	26099.69547	26074.3249	28113.26591	25873.75958	29567.30694	19855.46206	23001.77848	24675.94641	26582.76446	25433.54403	25930.79158	28862.65991	26420.40401
14.38_297.8881m/z	297.8880745	14.38091667	neg													16306.83279	16641.5249	19228.00807	17383.81527	19629.49729	16107.50403	18249.22162	17993.82213	15346.60896	18038.87996	21220.55883	24230.70833	29406.89441	24490.89995	19712.3169	19282.47584	21978.89771	20376.78599	19150.72012
14.38_384.7661m/z	384.7660743	14.38091667	neg													2656.916369	2973.338765	3642.019897	3497.056907	3636.462884	2327.209079	4194.371027	2534.189688	3557.174882	2544.432778	2296.15331	4901.942735	4969.695893	3131.410254	3862.365797	1567.72881	2354.942292	1812.648538	4012.959158
14.40_194.9875m/z	194.9874564	14.4003	neg													142761.5761	142357.5776	141533.3449	148834.7047	145002.8291	149513.2645	150127.4567	151042.6296	148919.482	152148.6475	157136.3386	141045.2788	131752.4398	142330.4191	146005.7946	155532.3223	143643.4148	153707.7444	139634.7182
14.40_227.9058m/z	227.905826	14.4003	neg													6467.347762	6171.186528	7494.970039	5674.682087	5372.028038	7306.561944	6396.265621	5651.265684	6541.562194	6375.251763	6782.58391	9185.016885	10705.77033	9871.954389	9249.952583	7874.692995	8078.021508	8796.525682	6876.802417
14.40_282.8465m/z	282.8464812	14.4003	neg													18834.84183	16362.46508	17184.75694	17476.87788	16800.2498	17844.02847	17938.72652	18007.51458	17389.88567	17572.82028	19928.56029	18717.05164	23765.18927	19815.75108	19506.37139	17755.61252	19129.12971	19017.73187	17016.9801
14.40_284.8409m/z	284.8409408	14.4003	neg													381420.1934	394714.8077	412485.5054	422358.6218	406078.1568	418638.2091	415939.8708	402169.4466	384009.6125	394598.3698	431292.3257	433181.636	530415.7518	451999.5639	433563.2127	402711.9762	413024.0995	435659.8539	403487.8575
14.40_847.4892m/z	847.4892074	14.4003	neg													2855.58212	1585.896098	2836.398745	3072.207597	6460.339435	3728.481436	9888.603471	3678.422846	7284.852007	3284.919771	8682.454187	0.000297236	6426.475333	12216.09467	1364.115779	1493.305905	0.000297236	4845.680248	2963.296855
14.41_270.2245m/z	270.224464	14.40683333	pos													3759.282268	3309.22069	4054.97868	4094.130109	4685.631954	3946.473151	4252.163325	1435.974086	1571.109784	3673.901605	4362.356438	1597.993733	3905.84166	5012.329377	4411.68346	4461.072017	3594.481751	3795.953884	5031.402166
14.42_118.9909m/z	118.9908686	14.41966667	neg													90284.64925	81015.25035	84283.92715	84391.59574	82618.07021	82510.12734	87200.68684	83508.17297	83189.59626	83934.04257	87153.2187	84706.58383	86500.85193	85403.98631	88912.58149	91833.45976	86172.20051	90903.23801	82531.46207
14.42_214.8583m/z	214.8583435	14.41966667	neg													1405.311727	1843.198797	2280.928096	2570.215709	2262.33177	2214.589091	2874.108924	1841.381583	2365.229804	2503.725785	2256.049138	2833.077954	2470.320751	2717.590423	1856.100406	2189.136329	2045.2351	3265.813296	1702.548309
14.42_366.9830m/z	366.9829951	14.41966667	neg													2597.752757	2133.846929	1769.70813	3368.837915	1787.194883	3024.357437	2844.838946	2205.709448	2486.733497	503.8453165	3270.884063	2115.892075	463.8262745	1737.210775	612.3458278	3581.6415	3778.084547	4095.847665	2658.594784
14.43_143.0813m/z	143.0812905	14.42836667	pos													52317.77487	46464.61357	54448.18146	54130.01038	51568.45808	51126.35199	53898.32549	53815.36638	52581.4947	53264.2372	54606.50968	50299.08823	53224.68239	54111.05733	54375.2537	57500.63133	55768.34793	57618.95796	53321.9477
14.43_159.0697m/z	159.0696663	14.42836667	pos													10866.97591	7859.44495	10548.17933	10405.41497	10283.17116	10309.00237	10577.28645	10413.71001	10233.57336	10089.63483	10846.44082	9025.083771	8699.374798	9115.507924	9810.012913	10578.28319	9581.906979	10701.83567	9978.258531
14.44_406.7479m/z	406.7479453	14.44006667	neg													10105.30461	10331.35227	14699.98483	10327.11633	9940.865206	14000.92636	14551.20864	13400.56185	10282.72875	14623.04258	14383.33355	13704.16149	23091.56667	16327.46249	16563.4331	11147.22111	11505.54928	12659.08297	10802.88728
14.46_188.9486m/z	188.9486362	14.45891667	neg													1284.719853	978.3655665	877.1876144	956.6851305	1088.705432	1195.585641	505.7823917	1696.189054	495.476973	988.6547808	1515.540533	1059.556002	1054.196123	716.2319211	1422.657809	1315.475467	855.2429148	972.6146142	928.8043062
14.46_328.8097m/z	328.8097391	14.45891667	neg													262042.3978	301759.8901	288046.7532	288107.2009	303383.7641	304545.6048	309215.0035	308541.8824	292178.8843	308592.1854	326070.6016	285877.645	339997.2584	301949.9759	285870.2387	283236.2903	282166.9462	294537.1102	281479.9593
14.46_426.9828m/z	426.9827828	14.45891667	neg													2361.238595	1989.334915	1828.33979	551.0238776	739.8148582	1568.435793	2298.664708	1361.831366	1205.846683	1483.442351	0.000297236	2557.082095	0.000297236	2201.352291	834.194937	1997.694074	2187.056088	2052.378602	2341.564085
14.48_100.9592m/z	100.9592066	14.47775	neg													8275.713571	9230.377902	9176.940119	8662.039722	8753.191584	8472.809037	9519.168725	9452.278908	9301.730315	9278.710637	9747.331046	8304.144926	8302.75088	8515.455958	8944.937059	9088.981494	8845.55281	9132.831	8517.94678
14.48_326.8152m/z	326.8152032	14.47775	neg													4181.420698	3356.810953	5760.784592	2914.305505	5783.713327	5856.803114	5920.822371	4000.520507	3880.101004	4755.462877	4019.618142	6754.629564	5373.41398	5894.545598	5259.519799	6435.333263	5151.779342	6509.966075	4762.128918
14.49_314.2505m/z	314.2505391	14.4937	pos													8678.932922	6687.340072	8767.841188	13846.62256	10969.15291	9037.367741	8626.300395	2132.080485	1845.553298	7332.655092	10563.01203	3311.069559	11763.40247	13005.9772	9284.329786	13628.28967	8794.662675	13162.51701	14055.12713
14.50_344.9795m/z	344.9795083	14.49845	neg													41046.39869	41705.62699	43347.69993	44159.16547	43787.66491	42510.8188	44793.72693	44948.10503	43583.01506	42467.86084	46687.41376	40253.63692	35768.58565	42694.07985	43319.0062	44146.94706	41615.47521	46677.15209	41541.73385
14.54_131.9142m/z	131.9142449	14.53815	neg													15394.11854	14352.49891	15493.77712	16264.14592	16180.93995	16095.45972	15995.41435	15866.89726	15690.77556	14967.1504	15835.47109	14500.42288	14166.79917	14467.50565	14576.93213	15316.52554	14746.64579	15844.36733	14598.94304
14.54_222.8399m/z	222.8399256	14.53815	neg													55416.35682	61560.62304	63708.36946	62453.80621	65729.12762	67983.98905	65577.05408	64891.4858	59820.98531	64005.43545	72453.63384	63894.04635	79641.51617	68125.00851	64347.14651	60135.21574	63208.24156	64474.48502	62293.57659
14.54_335.9118m/z	335.9118202	14.53815	neg													168264.6773	217279.2761	194608.507	185311.178	207924.1241	216012.6118	225476.0062	215983.8776	213441.0287	220666.6611	231753.9291	185691.9029	205863.8768	195565.6468	182606.1935	185446.3119	178200.4437	188081.8528	182754.2996
14.54_397.8132m/z	397.8132237	14.53815	neg													79469.93191	77203.34937	87282.97608	89469.51223	85646.17173	90881.29656	86000.67061	82563.2559	76904.51373	80770.18163	91494.73703	95707.0687	124696.6438	103642.55	93192.46401	81853.78609	86213.68474	92057.84634	81684.05375
14.56_301.0112m/z	301.0112417	14.55748333	neg													1264.038665	1291.318625	782.9752292	1100.95179	435.8467606	1397.086276	1493.749354	413.2400333	1565.33265	1053.649879	1514.584098	622.3609787	2076.09133	1694.958729	1159.40608	925.5122652	1111.696492	340.9554044	621.0195001
14.56_380.8232m/z	380.8232143	14.55748333	neg													129532.8099	140724.8427	138797.1931	144309.1424	142595.5019	145275.3314	144562.9869	135631.9487	135363.6958	140482.4513	155738.6095	147651.9842	177486.6738	151344.7638	148590.9357	134962.7138	138398.5344	150873.5521	137578.6646
14.56_390.9177m/z	390.9177391	14.55748333	neg													7597.024589	7908.622093	7073.940145	5639.936112	9073.973221	9323.497064	6536.158879	8792.640317	9046.160374	10020.5649	12600.1142	9446.916733	10915.18489	7265.160124	8920.464968	8368.522243	7636.115959	9271.808627	9324.208361
14.56_458.9889m/z	458.9888935	14.55748333	neg													7148.20652	4329.371158	4859.402602	2943.890744	3666.43925	4582.080026	5289.402001	5408.281456	2935.830543	5312.904357	6499.649346	4753.832061	5563.683548	2201.520086	6850.009912	5543.789885	3231.272977	6911.129724	4513.74699
14.58_162.9810m/z	162.9810349	14.57621667	neg													646500.3214	580774.7615	607776.5389	616620.7591	606470.4846	608220.6441	627022.7179	610476.595	606241.4188	610462.5512	628995.8432	611784.4139	618803.8563	618803.0643	643436.6548	668779.986	619472.9279	651369.0896	598393.4508
14.58_216.9921m/z	216.9920949	14.57621667	neg													1383.46942	1179.358403	1556.989761	1071.303558	1206.788697	1645.34994	819.3291819	1447.852641	1000.324473	1799.597762	2412.814681	1866.550952	1693.908399	1644.80504	1937.822804	896.3751765	1170.107018	2388.931434	1650.968861
14.58_281.0037m/z	281.0037129	14.57621667	neg													1162.760951	1266.80114	929.2397673	1683.546117	1356.42415	691.6673144	379.8205221	1540.991236	996.0876086	1228.582174	1521.600118	1598.396836	650.180145	885.248095	1042.727719	1157.882635	254.5374696	995.9746059	372.4423438
14.58_310.8415m/z	310.8414666	14.57621667	neg													574004.3802	632320.454	636722.8556	631039.6796	645528.1238	670492.8282	660832.6503	653887.3817	619798.0282	643345.2708	703400.7243	647524.3353	780480.8506	683986.3732	642567.7522	609817.0607	633512.0373	669250.4475	619082.8362
14.58_312.8359m/z	312.8359493	14.57621667	neg													6666658.8	7591175.284	7440348.509	7391752.805	7577040.462	7889585.38	7767924.986	7608593.449	7306066.611	7598087.839	8329918.568	7588647.688	9330058.743	8067792.675	7588827.902	7275409.787	7457775.207	7849374.412	7246266.485
14.58_328.9865m/z	328.9864816	14.57621667	neg													51808.38557	49937.60579	49538.11563	50191.75883	53689.95811	52226.31364	56982.66976	54306.83946	53242.50293	54480.50073	59114.95199	49141.58954	47647.49432	48765.15849	50361.20301	57191.26822	50961.26926	54597.57542	50731.45048
14.58_473.3441m/z	473.3440895	14.57848333	pos													7132.487873	6528.826564	9281.068089	7783.045183	6929.265817	6970.59301	7916.542652	7281.614859	7432.67099	7200.812674	7113.01731	9620.229347	7292.553371	6930.366603	9426.628627	10231.6364	6598.083273	8093.400369	7522.044277
14.60_113.0011m/z	113.0010606	14.59516667	neg													110.0113814	154.7589487	141.2033176	202.8637753	186.3205258	333.2358667	0.000297236	172.1702685	223.2392176	163.144675	468.5211497	284.1005079	188.1415959	193.3691488	0.000297236	175.4323329	174.2004103	96.2059176	167.4240621
14.60_257.8561m/z	257.8561326	14.59516667	neg													34119.02053	48490.29644	48814.2982	49959.75407	48780.86271	50458.39054	49164.67724	46879.08767	46201.84276	47620.91646	52252.11206	45510.36591	55139.49765	50002.79764	47784.66091	48699.99151	46311.6814	52861.33546	49721.26909
14.60_341.2656m/z	341.2656354	14.60025	pos													16038.29242	9949.918969	16119.1664	14544.93785	15056.2412	14860.24323	19120.04454	14732.41195	15078.43984	16531.05687	15107.67573	12942.62989	12523.41368	13060.68629	15277.43817	16923.28173	14427.47622	16549.88568	14625.83107
14.62_128.9270m/z	128.9270321	14.61546667	neg													306.3391091	364.3132363	301.3023501	354.559629	532.3331985	314.5383385	317.5029309	267.0513405	365.7620797	234.1960414	359.1533458	375.0141551	190.3403032	234.9179466	200.560213	445.8529986	339.0970374	134.4387566	247.6481873
14.62_130.9911m/z	130.9911031	14.61546667	neg													133951.1098	136435.1513	133412.2432	138217.7003	136977.6251	137731.6303	144266.049	143453.3289	140929.2545	142040.6355	150202.5682	124815.8675	126641.0165	130604.7366	135944.8585	141134.2017	133728.8588	143197.8826	129085.9619
14.62_144.8654m/z	144.8653977	14.61546667	neg													10917.29277	12347.78912	12298.38746	12291.80685	12333.79913	13230.88822	12948.10969	12846.90512	12641.88998	11851.11492	14723.80884	11059.73036	11386.72386	12280.28289	12060.45236	14020.60358	13080.74305	13537.67385	11528.19013
14.62_169.9953n	168.9880601	14.61546667	neg													2016002.969	1779398.152	1863681.574	1891075.706	1837186.828	1842803.53	1903081.659	1868098.125	1841780.467	1869011.54	1942264.81	1890509.576	1888139.818	1920778.366	1980833.279	2065428.661	1922866.944	2021806.62	1836362.639
14.62_212.9783m/z	212.9782818	14.61546667	neg													2320936.384	2088231.757	2156858.501	2206724.907	2158938.885	2172910.77	2234269.194	2187230.708	2169623.359	2192202.694	2266063.549	2179200.386	2193713.955	2222573.074	2311590.998	2393531.356	2202033.339	2334582.053	2115922.597
14.64_316.7783m/z	316.778296	14.6357	neg													14443.04995	21335.54358	22148.82161	18549.13759	21273.10383	23574.199	21205.05533	21824.06367	21776.32065	22473.93894	25459.96835	17808.98583	24899.32256	21919.0604	17324.7298	15758.40758	19265.96548	20243.51213	20231.85488
14.64_391.3412m/z	391.3411849	14.64335	pos													13554.13701	9406.797336	10317.12265	9513.356681	9233.149099	10304.40959	10920.33795	10695.86085	9905.736458	9751.637673	9400.979752	9781.866844	9642.823676	9625.519575	11327.23588	11003.84576	10023.23679	11897.12187	8911.697724
14.65_246.9826m/z	246.9826153	14.65358333	neg													23860.9098	24354.28998	24270.27904	25445.53213	25227.07971	25549.83546	25671.98646	27054.82457	24508.89393	25527.9574	26986.94241	23274.75784	20400.11349	23925.64648	24865.81843	27129.08537	23307.57764	26660.48872	24945.68082
14.67_198.8634m/z	198.8633744	14.6728	neg													241075.2524	263173.5867	261546.6349	259840.6899	263933.4542	264230.7568	266893.6065	263457.0912	258105.9131	268764.5229	286595.1914	252933.6903	292130.7549	266102.0203	254913.9596	256963.6265	254809.4259	276199.7159	249636.1251
14.67_199.8499m/z	199.8499107	14.6728	neg													38199.83405	51740.73058	48985.67292	50419.20008	52277.54583	52024.711	52717.47526	53922.64006	52424.21068	54915.0362	59846.87175	44551.24823	52139.97157	48524.9045	44758.66009	45995.84092	47502.78544	49422.19278	47491.34436
14.67_200.8578m/z	200.8578261	14.6728	neg													2922550.885	3162485.81	3116495.093	3104640.286	3161766.355	3227118.752	3222543.906	3179090.146	3074194.975	3186462.666	3464357.6	3045754.985	3543599.477	3195156.678	3087658.07	3115635.631	3067507.069	3285714.823	3000378.814
14.67_202.8621m/z	202.8620958	14.6728	neg													8764.898066	9667.767708	9858.362605	10437.74918	9966.565294	10695.91126	10177.90103	10273.51859	9551.129094	10359.07717	12349.41292	9349.684447	12676.08594	10189.74467	9938.499316	10614.39835	8612.402174	11317.59185	9038.827322
14.67_218.9860m/z	218.9859744	14.6728	neg													220429.0141	201156.0266	206245.2083	210063.3899	205650.2655	203601.7931	210312.3425	207183.0337	206226.656	207259.2954	216191.8275	205509.7331	205449.8405	210985.4385	216703.8433	228259.6168	209299.4979	221563.7292	200526.0807
14.67_242.8536m/z	242.8536417	14.6728	neg													119820.2177	133028.3752	127976.0519	126301.5439	130865.5578	134090.9325	133119.8002	134516.1833	131172.2565	134313.3446	144565.8178	123343.7926	146372.448	129538.3899	125383.9823	128061.4342	125287.2673	131621.3246	121896.6219
14.67_244.8482m/z	244.8481715	14.6728	neg													1541050.185	1699639.553	1664680.668	1649909.299	1702142.533	1732018.762	1762919.666	1721151.652	1702851.205	1728501.731	1866477.899	1601727.377	1897453.656	1723297.559	1631456.579	1663808.724	1621819.929	1720965.346	1608356.272
14.67_278.9730m/z	278.9730296	14.6728	neg													47161.78331	49666.94764	47481.21842	49777.17078	48151.20518	45789.94124	50532.75079	48194.75929	49200.50628	52568.26015	52131.57856	43242.39634	46008.27776	46400.18252	48920.73025	48900.20748	46972.03415	53154.47438	45135.80905
14.67_281.9935n	326.9883856	14.6728	neg													435212.7645	409513.0077	417247.7619	427647.3057	413096.7117	417874.8993	434771.8843	433402.0332	427557.1553	435899.8184	448256.5391	415217.9263	396845.1495	422815.3381	437216.905	449512.0552	414846.2014	442718.0679	403094.1695
14.67_300.7836m/z	300.7836025	14.6728	neg													26693.0261	30881.68671	29718.31775	27300.6318	30118.65254	31067.53916	27937.69485	29564.54388	26949.76477	28286.78195	35759.2437	31338.0184	45424.02418	33958.55543	27924.00993	27165.00661	29263.3318	31360.54851	26326.37223
14.67_307.8805m/z	307.880517	14.6728	neg													402551.8596	456879.3945	444940.776	434987.1873	450248.7454	459158.7935	470751.6786	461643.084	458853.3609	459026.6509	487261.285	414665.7505	507833.2882	459672.4833	435846.0664	432263.8616	431244.7204	450998.1571	426345.0696
14.67_325.8437m/z	325.8436814	14.6728	neg													2754.504873	3275.978819	4669.587008	4669.220297	3874.275437	4083.083064	3600.095525	4707.06297	4040.158901	2581.072773	3755.338941	4516.138418	6393.619287	3367.262115	5746.841245	5699.555014	4953.961903	5087.149764	3948.325775
14.67_397.7065m/z	397.7065002	14.6728	neg													4395.969899	5287.088005	4866.131668	5352.27592	3650.094898	4348.828322	6192.777014	4745.519118	4346.598456	4275.888521	6453.222879	4746.760523	7718.833334	5519.016312	5187.44388	2265.302332	4984.988103	5433.873077	4046.736799
14.67_399.7011m/z	399.7010562	14.6728	neg													67143.65385	104926.0616	89612.21192	87329.46249	84305.92837	108334.5551	97240.98852	98390.19239	92010.73786	98959.4512	125727.8584	95220.25628	133779.8471	96706.97396	87519.35022	73910.13603	91047.94051	94933.64379	86352.36238
14.67_412.7610m/z	412.7610186	14.6728	neg													85481.77686	91366.8859	98540.25986	98062.5396	97808.70877	105804.0281	94308.07189	93364.62616	92231.86759	92143.51935	112271.8223	101591.9985	135931.3324	111669.0611	97647.14226	85122.58962	97740.90813	99656.49993	94060.44917
14.67_439.0016m/z	439.0016406	14.6728	neg													7076.777468	5622.193789	4234.186983	3151.01801	1671.406085	5171.057448	3642.344697	3194.898114	2941.120444	3770.345349	8183.620085	3548.968688	3493.954075	4282.099073	4651.181107	7065.756536	8419.752578	6747.54569	6475.455307
14.67_480.7484m/z	480.7483855	14.6728	neg													249591.3931	281399.0196	288889.6269	286442.4037	282635.8663	307893.2469	287492.3504	292866.0889	259929.0801	279218.224	318701.5776	290609.6924	404810.3671	332798.8535	293830.0597	263737.5111	282447.3546	306109.4976	284043.7052
14.69_236.9786m/z	236.9785531	14.69316667	neg													23638.11683	22748.04122	23652.90694	24217.86648	23234.97609	23404.08885	24185.10182	25043.18617	23315.24441	23394.24352	23940.90646	20395.50922	21090.66943	22424.80776	22347.82381	24180.43875	22217.96175	24348.14818	22518.01719
14.69_286.9056m/z	286.9056259	14.68663333	pos													195311.9786	141438.2742	194792.4764	202596.7538	199265.1431	197572.6108	203650.4479	203589.9783	201011.074	200565.8819	201166.5635	185705.9112	204494.0207	188313.3918	207864.1056	224531.4173	216195.7377	226075.0908	208878.3913
14.69_305.8859m/z	305.8859422	14.69316667	neg													20857.95406	25588.94003	25125.51098	23048.54487	26129.12876	25700.99433	25158.84724	24410.62382	25098.0533	24868.68131	27952.82327	24552.78006	28276.57705	26236.03502	22481.04128	25094.37253	22802.93825	24501.14512	24173.86692
14.69_327.9322m/z	327.932175	14.68663333	pos													79685.19156	61646.63757	79081.58372	82466.44526	79740.50718	79611.54221	83390.75362	79964.11688	80998.88869	79986.81496	80770.91903	82151.06036	89365.39409	81503.22972	88486.11913	94923.35223	90509.19961	93513.19539	85379.73995
14.69_388.9856m/z	388.9855961	14.69316667	neg													5874.147531	6087.467481	3572.014648	3945.522658	4838.016716	1992.120284	3926.74374	7805.79378	3550.406253	2478.008685	5913.65244	3500.024611	1153.319455	3788.047948	5977.788316	5595.687447	3448.348686	4988.771001	2026.442279
14.71_148.0865m/z	148.0865475	14.7085	pos													13053.46961	9367.456091	12383.9892	12309.35886	12792.39909	12630.23698	13387.95468	13763.35322	13789.31039	13923.886	13865.76689	10833.2157	10774.88656	11779.54098	12101.83676	12831.7764	14182.10669	13592.96449	12339.31189
14.71_228.8530m/z	228.8529611	14.71283333	neg													10207.51293	12708.98616	13209.44539	12892.96287	11857.47876	12600.2825	13442.28333	12367.50189	11315.72471	11441.13627	13319.51223	11392.80704	12230.56015	11996.97495	11351.7007	11728.37752	11813.20555	12562.32709	12370.55552
14.71_265.1476m/z	265.1476164	14.71283333	neg													8800.683201	10180.98713	7752.237198	8832.375171	9431.044698	9823.052198	8607.672487	10110.92488	9493.638846	14400.43105	12384.33504	8238.436796	6526.219678	8898.732348	8480.015049	10395.31044	7823.683	8965.314059	7073.744246
14.71_284.9102m/z	284.9102169	14.7085	pos													419048.5609	311107.2967	404491.8565	428123.6637	418773.0802	417571.8658	426864.4291	425975.8261	423777.3128	422741.9091	424127.5937	402319.2445	435077.1739	401368.7658	451554.7723	482097.2991	455841.6599	469954.4628	442549.3085
14.71_284.9800m/z	284.9800255	14.71283333	neg													578.5076221	659.9927636	997.5555878	633.7519324	993.7201231	781.6620398	961.6004858	1051.255347	1365.112894	0.000297236	1085.691568	1341.892755	1038.196993	370.7268788	1458.970177	1795.650527	1269.163427	635.8199995	756.6507372
14.71_299.7760m/z	299.7759886	14.71283333	neg													12667.72689	21787.81464	17925.82617	18960.367	19383.7677	22874.80964	20665.4331	19902.82551	19652.5921	20683.15447	23728.0623	15065.19491	21422.45106	17284.38729	17786.53237	16079.19252	17950.79411	18855.30574	18000.43644
14.71_325.9367m/z	325.9367338	14.7085	pos													165226.174	132994.8094	162718.9269	169022.8791	169861.3293	166817.6636	169795.3764	171175.6052	167695.0679	166734.7436	169710.1173	175206.9131	182925.4858	172298.916	185833.8946	197434.9658	188040.2011	194450.6109	175655.5147
14.71_328.7788m/z	328.7787989	14.71283333	neg													29765.01037	32501.27582	31867.92301	34029.72296	31973.56784	36259.67876	37000.43888	34515.80805	30080.07294	32801.19956	38533.28935	34037.50154	48587.96031	34066.5711	32216.56341	27153.4729	31239.40935	34288.53434	30793.47293
14.73_230.9875m/z	230.9875066	14.73218333	neg													1070.529142	1468.467184	963.3546073	626.8961806	1183.332061	1071.729226	1258.581669	1018.452399	750.0817357	1217.770337	976.8371515	1080.376623	922.0448064	694.2965913	1394.967409	1082.694727	1172.370196	705.4634333	632.2078792
14.75_260.9823m/z	260.9823464	14.75246667	neg													31984.84887	33145.71409	32885.10833	34053.62162	32774.20017	34016.30577	34821.22722	35957.91706	33520.96062	33432.95091	36022.12391	30546.92633	29157.74674	32118.11673	33149.21038	35620.21159	31226.827	35525.49233	31468.91203
14.75_272.9804m/z	272.9804057	14.75246667	neg													2087.994087	2979.705391	2757.516447	2596.562372	1791.955591	2528.361254	3573.380747	2201.062953	2035.418618	2510.925909	2261.256657	2488.996691	1800.068335	2746.595958	2962.132202	2897.162137	2459.424267	2250.644244	2070.268323
14.75_306.9830m/z	306.9829511	14.75246667	neg													2288.051325	2642.14649	2251.784988	3836.418589	2289.283658	2943.780978	4478.68129	2389.060886	1846.226267	3527.065811	3621.239492	2584.132087	4505.29225	2889.687573	3317.531883	3443.324963	2670.191092	3725.928213	2392.208103
14.75_380.9985m/z	380.9984865	14.75246667	neg													2727.718344	3340.242123	3701.154903	2323.014001	3057.689048	2246.643112	2075.22339	1767.530539	2851.610315	3665.338997	2530.342335	3476.174463	3631.275614	862.4077977	5440.830032	3402.637932	1132.811853	3113.608606	1891.649163
14.75_435.0064m/z	435.006448	14.75246667	neg													4653.941867	6442.087349	5818.416183	6324.726804	3339.590093	3756.047853	6320.477155	4910.094877	2319.764274	4109.321894	6030.219284	4224.001877	5161.940944	4225.563157	9012.208335	4549.145855	4968.175663	4044.288047	3219.95898
14.77_149.9930m/z	149.9930303	14.77215	neg													152417.2754	154776.1502	155341.2452	161735.3569	158422.2008	158609.0793	163194.5605	160653.0917	162758.7348	162185.4242	166602.8879	146156.6028	147432.8184	151963.0364	158865.3575	164700.4016	155860.0372	167686.0806	151323.0374
14.77_185.9885m/z	185.9885289	14.77155	pos													13372.45274	15467.12989	13545.10951	13883.87155	13643.04853	14452.08431	14165.98797	13122.77942	13884.76332	13376.78128	13905.44807	16462.7862	16209.72998	14123.08766	14885.75436	16019.06815	15230.29948	15084.09637	14660.01261
14.77_192.9335m/z	192.9335313	14.77215	neg													1901.90486	1100.186182	1669.335409	1754.387608	1177.045032	1098.648597	1815.040617	1549.312115	1599.08869	1808.236295	2006.00534	1628.608869	1491.554962	1662.88734	1594.91087	2010.509935	1916.22901	987.1595977	1420.888917
14.77_232.8247m/z	232.8247347	14.77215	neg													24637.90659	27822.04823	29288.11985	28727.66216	28650.32449	29347.55419	30332.27704	27491.18153	28105.15057	27671.79377	29412.45372	29096.1549	36231.77832	32314.57133	28182.29503	28775.15776	28083.25095	30385.87523	27810.08406
14.77_234.8192m/z	234.8192169	14.77215	neg													361085.4734	416747.9079	406384.7075	410881.8096	418715.5784	426400.6577	426312.3824	414730.9272	397923.6549	413520.7595	453198.6852	416228.068	529220.6347	450539.2494	416546.9337	395694.6639	407721.0195	436746.058	399756.4143
14.77_236.8164m/z	236.8163602	14.77215	neg													126884.7232	140603.8604	143507.0077	142063.5039	146496.0942	147635.1279	150914.2584	142985.0386	137181.4208	139778.0928	157314.3699	147464.7724	189419.5455	156760.6852	144828.6921	134172.8109	140150.5501	150893.5996	137104.4114
14.77_250.9397m/z	250.9396551	14.77215	neg													1202.892861	1624.384791	1626.710286	1506.497139	991.5777961	874.2366832	1060.846707	1086.068378	1286.198715	874.0853826	1379.450337	550.2776486	1893.299713	1169.5586	1269.339776	1623.364872	1102.378922	1338.556779	1179.87893
14.77_266.9895m/z	266.9895384	14.77215	neg													7757.680809	7133.772848	6298.92812	5106.049198	6022.445684	6362.650234	6375.407657	5025.874321	6837.440597	6367.543627	6594.159897	4439.112683	5631.081537	6236.134839	5325.124541	6261.431613	5875.323967	7494.273403	6338.498376
14.77_316.9861m/z	316.9861321	14.77215	neg													60451.95501	57981.02187	59001.46334	65811.72481	64500.7914	61537.07915	65560.92119	64143.89361	63720.6277	64717.96452	66996.2227	57377.61808	54021.56538	59037.82928	63139.66295	63782.55767	59059.74725	65435.76086	57807.31048
14.77_320.3073n	338.3409182	14.77155	pos													2689283.309	2108018.389	2702952.518	2521017.248	2660748.08	2562551.626	2679548.786	2540714.825	2486979.788	2497455.627	2494641.291	2540731.85	2568222.185	2571433.098	2290612.384	2566985.201	2679728.297	2776789.025	2413063.841
14.77_334.7451m/z	334.7450747	14.77215	neg													9056.877109	10193.84511	10089.12233	10279.57712	8670.465826	12245.162	11353.07787	9334.466917	7742.126869	8066.795185	12153.85775	16041.05096	23385.06175	15472.55841	11313.84733	9950.639635	9637.194039	10850.27727	8518.113786
14.77_340.3475m/z	340.3475369	14.77155	pos													48207.84107	38339.15169	47102.68273	43268.82822	47042.83455	44434.25513	47934.70984	43326.52651	42011.92328	41515.89853	43876.23295	46527.69659	46590.59355	46215.86984	39520.00765	44356.27387	47266.95076	48393.57905	40268.88767
14.77_415.0008m/z	415.0007525	14.77215	neg													2433.223217	2532.640944	2807.15383	1491.455588	605.4652325	997.2476197	2670.607707	2688.165465	1435.825157	1337.230794	2300.160839	987.1884367	1819.336051	1522.902208	2715.851199	1693.370541	2266.492471	1579.71358	2188.594062
14.77_420.9921m/z	420.9921275	14.77215	neg													3917.127634	4344.732357	4460.438856	3409.93157	2035.160243	1020.267105	1941.442976	3600.078968	3959.576536	3407.828323	6092.618635	4030.95497	2711.340136	912.2720671	4207.059192	1886.369367	2598.327886	2311.069876	5007.99257
14.77_451.0018m/z	451.0017999	14.77215	neg													3204.123826	3795.080262	2981.134565	3143.662105	1761.662857	1457.948165	4711.633783	1405.012699	2701.08805	1222.210741	2525.642314	2351.503295	1899.03998	2032.272572	4025.150527	3565.926386	1560.398489	3226.882674	2460.148662
14.77_675.6747m/z	675.6747491	14.77155	pos													59397.09234	49559.23343	57958.87555	48734.7027	66056.78615	62524.3816	67089.3894	76217.69123	77643.0769	52849.84791	68680.41201	83082.03402	80905.71972	60696.32978	48620.91665	70898.82945	70138.30823	63545.65598	57874.29379
14.79_382.9950m/z	382.9949734	14.79106667	neg													8220.020063	11507.5307	7180.444304	7981.487683	6948.283587	7557.954967	10159.43044	6120.986115	8237.225616	7392.69526	8254.32453	6267.223725	6509.885717	9361.706442	8234.946204	8527.975941	7665.555853	8038.001107	5485.108086
14.79_478.0067n	458.9888808	14.79106667	neg													8071.525835	7340.46238	5980.66069	6252.560071	4690.80142	6437.943185	7404.478506	3843.698805	4460.991247	5618.747452	4798.175881	5886.761039	6331.920027	7430.854709	7520.571827	9437.085823	6705.87164	6159.470311	4072.336925
14.81_132.8988m/z	132.8988257	14.81098333	neg													77896.7051	83667.69061	80163.36433	84913.46276	84697.25625	83723.63395	84022.98489	83544.78099	82776.60144	83807.30916	88473.71979	76697.21754	79850.48015	78351.77108	83856.08346	82766.6121	80685.44458	87792.19861	79063.76728
14.81_134.8932m/z	134.8931732	14.81098333	neg													1896727.176	2015961.056	1948341.06	2073515.937	2040859.396	2031885.827	2083549.185	2042136.014	2036223.332	2036447.155	2175025.442	1860444.256	1954478.215	1922623.703	2041156.271	2033511.655	1962335.013	2130125.769	1920941.817
14.81_136.8903m/z	136.8902652	14.81098333	neg													632063.5009	674116.1087	655669.1807	688838.9291	680006.3904	672224.7664	690341.2776	678606.0377	678158.9151	679361.3316	725706.8998	625715.4524	658294.9672	645917.2877	691380.7647	685218.754	661841.1361	720739.7811	651183.2606
14.81_242.9892m/z	242.9892408	14.81098333	neg													1274.54799	1141.543488	1047.074007	1681.980835	1256.772957	1886.028262	1510.530958	714.551341	1337.583244	1492.198348	1530.633455	1357.000216	1148.104718	1045.956367	1517.45147	1698.611244	1110.644197	1714.808404	1201.216012
14.81_281.0043m/z	281.0042753	14.81098333	neg													3138.648785	2991.27585	2339.079295	3195.925027	2789.661282	2564.068571	2400.524073	1864.377943	2153.1927	2749.806513	3120.103087	2474.799623	2685.329807	2667.495962	2569.338483	2571.734034	2665.80044	3662.223061	2401.363286
14.81_473.3173m/z	473.3172915	14.81421667	pos													2941.276136	2519.15326	2699.022556	3370.120029	6951.197731	3477.879111	2788.240259	3887.999523	3892.316722	4227.230706	3783.849851	3014.170155	5735.491294	1671.578304	3250.807035	2477.153815	3256.389922	5291.045416	2731.370929
14.81_537.0156m/z	537.0155935	14.81098333	neg													2235.064149	2495.364232	3632.867982	2747.191567	3387.284595	2495.423194	3233.792607	2833.908921	911.6156089	2150.715662	3247.548473	828.30699	1240.573217	4814.742765	5056.38454	2356.259687	2802.294037	4838.577401	3346.301174
14.83_272.9970m/z	272.997042	14.8315	neg													529.4919774	948.6726322	694.0763077	815.2642274	687.1760581	990.2667807	912.3866747	1082.617205	531.440409	891.0090661	971.2258736	562.806786	404.9814018	722.771735	699.8942585	968.6651514	827.1117352	1576.774817	1028.265943
14.83_302.8071m/z	302.8070723	14.8315	neg													105200.7576	119535.1389	119779.2873	124215.998	124170.5808	127126.7439	123824.5768	120184.4231	113897.9739	116469.324	134582.1373	123287.2774	158550.6263	133132.721	126511.2414	113604.171	120374.0569	130960.5234	118294.638
14.83_464.9979m/z	464.9979332	14.8315	neg													2322.088075	2350.868082	2262.517215	1551.386302	1954.199407	2133.191968	3007.554582	1106.511186	2136.262912	1308.447638	2019.096657	379.7857886	1072.757348	711.7401195	2898.459127	3092.523833	1210.108306	3322.351515	1665.737315
14.84_183.0096m/z	183.0095926	14.83603333	pos													1601.902477	2444.616082	2290.490587	2408.621102	2503.691864	2701.801679	2128.18811	2235.210825	2522.301965	2410.466056	2267.697694	2914.083662	2803.466438	2454.026199	3180.639661	2361.695634	2019.060769	2467.465744	2332.950235
14.84_384.3464m/z	384.3463925	14.83603333	pos													9574.111196	9298.929999	8838.904384	10849.23881	13176.99086	12746.0992	11725.20036	13587.02344	13910.3523	13768.53124	13243.43936	12387.48285	13345.51108	6974.246968	12238.54555	13820.95287	12280.88272	12652.87439	12033.89768
14.85_248.9214m/z	248.9213688	14.84858333	neg													18593.02135	23286.0329	26645.49262	25698.16702	26340.29533	27103.08486	25879.22449	25992.85123	23438.68767	24778.17548	25975.6448	26621.37669	29817.38295	28453.8938	25725.07796	27499.47165	25676.90748	28543.07524	25995.58859
14.85_304.8043m/z	304.8042619	14.84858333	neg													25798.80728	30479.40873	34495.8193	34211.08507	31719.36165	33001.10747	31292.20666	30806.87674	30080.65947	30482.65362	34214.01343	30435.92477	41998.74491	36786.49223	31474.11346	31924.84575	31471.31644	34778.96079	31689.50757
14.85_331.8566m/z	331.8565812	14.84858333	neg													5765.08266	4807.512911	6931.759392	7151.837673	6768.581486	5245.234266	6558.911167	7483.565585	5445.060194	4843.921047	5574.65355	5963.450224	6746.86707	6264.891765	6826.448799	7332.619759	6323.629567	5685.648837	5531.851633
14.87_206.9876m/z	206.987556	14.86885	neg													97248.71628	97740.52955	99283.64721	102401.8699	102171.3589	99571.84433	104613.3765	101744.8623	101164.471	103878.1561	107923.2365	90897.16482	92442.40361	96503.45138	100215.5481	103709.9361	98275.6291	103903.5408	96515.26887
14.88_212.1489m/z	212.1489156	14.87866667	pos													3208.061608	3448.767166	3495.725302	3234.317606	3539.157422	3449.309718	3356.093717	3160.354554	3354.915841	3478.240376	3582.47854	3751.481945	4117.158746	2974.358143	3550.810958	4032.748435	3593.97355	3830.545856	3644.40489
14.90_501.3754m/z	501.3754261	14.90026667	pos													5143.361258	6908.632269	7324.672271	7099.742017	6410.676272	7747.848976	6164.098455	6389.122172	7914.548502	7569.826947	7888.208724	6911.496523	7415.725634	7181.234687	6591.021226	7696.132868	7690.836826	7541.313911	7027.348781
14.96_140.1068m/z	140.1067735	14.96458333	pos													4086.133673	3188.742688	3762.531817	3727.118437	3720.576701	4037.083572	4020.324885	3876.71297	3947.988074	3984.520673	3963.502221	3620.799889	3697.415049	3505.478054	3734.869525	3775.432931	3870.490741	4080.87682	3740.017466
14.96_256.1749m/z	256.1749088	14.96458333	pos													3149.15608	3409.262441	3630.374471	3472.332045	3343.664098	3386.645927	3147.763487	3342.709223	3512.927921	3083.896531	3558.383681	3615.113995	3681.30639	3278.029684	4168.060493	3379.931484	3681.132755	3951.796734	3962.000838
14.97_128.9953m/z	128.9953493	14.96568333	neg													726.3125692	759.092854	759.5379533	796.4813682	697.5786931	338.9197463	719.4009799	570.3195161	816.7370894	346.8863367	521.0111231	578.6801778	733.6752052	614.7716679	549.2285921	548.6336868	616.4961783	819.8213173	672.0941451
14.97_388.9856m/z	388.9856482	14.96568333	neg													2438.087629	2961.15014	2962.373058	2290.864496	2709.624428	96.68308581	3172.199779	2719.348562	2499.044226	1695.645737	2806.762268	1502.235324	1581.902961	2179.981324	1689.978483	2435.761758	2990.337038	2754.449706	1735.468875
14.98_435.0067m/z	435.0066597	14.97623333	neg													4146.299569	2887.860037	3616.444128	4059.06615	4639.838434	1692.209815	3962.012593	3032.116379	4951.621015	2818.601393	3754.566326	3828.511872	2491.595394	3542.920758	4276.220112	2957.229909	3259.478503	4593.505563	3701.942807
14.99_109.0028m/z	109.0028006	14.98675	neg													220.9118917	272.7607003	297.4456226	302.122202	409.8846729	263.8667267	338.4626601	247.6335812	349.2144975	298.2090923	209.3551617	294.0166733	378.4143987	237.3989339	290.7509691	248.8174656	334.1977621	408.8352553	202.8911215
15.03_278.9895m/z	278.9895491	15.0327	neg													1775.021055	1436.756489	1945.664787	1332.013891	1619.477346	2276.863196	2065.180224	1826.079471	1948.47441	1782.431919	1618.302655	1521.017622	1473.056394	1611.23166	1396.914591	1538.313158	1772.414346	1869.550327	2246.407765
15.03_282.9097m/z	282.9096792	15.02891667	pos													1654.400156	994.5975584	1607.893452	1053.934225	3024.929107	1425.761696	1074.717288	1055.39165	1398.182591	2784.987555	1507.754757	995.2107349	3033.681058	4359.376195	1323.162905	1422.862372	1407.059092	1498.108881	3112.383138
15.05_312.2349m/z	312.2349109	15.05106667	pos													3353.878441	2619.537586	3159.222441	3264.842431	2003.952022	2559.674579	2086.875391	893.5477167	636.6190668	1773.188109	2908.462478	1315.223313	3107.287206	3393.084305	2445.323419	3555.015262	3117.549887	2924.818453	3162.271042
15.05_314.9882m/z	314.9882239	15.0527	neg													3383.376936	3784.727206	3563.171017	3651.476018	3040.71025	4823.633827	4367.197378	3358.56778	4434.966069	3639.594702	3299.534305	3300.327908	3806.31829	3480.272974	3209.255113	4162.665515	3443.569658	3911.303074	4645.972177
15.07_142.9911m/z	142.9911448	15.06695	neg													465.2277363	545.6645383	600.5233351	412.9085118	471.6924209	771.8627575	364.9537478	570.4668716	722.275115	499.3345294	500.2761408	637.2086857	437.4710659	480.6920163	555.9168569	550.6041755	553.4342407	651.1385444	749.4414981
15.07_256.9368m/z	256.9367669	15.06695	neg													81421.35698	93210.01403	83845.70879	89517.39638	89146.54646	90972.82788	89338.63347	89897.9715	87536.63749	92552.91564	96903.87733	79214.33139	89431.1128	88319.6551	86701.68512	86907.00282	84679.30873	96017.30184	82630.86703
15.07_286.0075n	266.9896155	15.06695	neg													5631.062874	6476.834719	6758.678116	6625.722101	6224.814932	7478.973389	7573.531502	5505.918765	7570.915329	6755.26791	7017.326026	6676.711301	6429.026497	5139.894113	7562.008545	7733.099516	6381.696009	7091.924823	9329.935066
15.07_688.5192m/z	688.5191806	15.06983333	pos													56691.87637	54010.0339	53548.73153	54999.73959	54800.03626	61321.92823	59113.49416	55787.60471	56866.67886	61080.7187	59716.25785	61922.16365	54511.04774	52711.2828	57416.61922	62708.43628	51165.98202	53932.52115	52488.38241
15.08_151.0134m/z	151.0134164	15.08203333	neg													627.6744018	723.3535287	797.7955881	789.9078749	604.757501	1111.741429	919.3317227	563.437018	898.8628822	689.7666254	769.8945693	643.7652529	770.8428492	607.0180612	814.9992495	915.2203244	652.6521809	857.4944397	1266.886328
15.08_325.8437m/z	325.8437335	15.08203333	neg													3919.978122	6106.89356	5858.55441	5983.848854	6660.075525	6740.438237	6412.101064	6077.73636	5444.297074	5452.71178	6350.995912	4820.554443	6288.130057	5967.149614	6215.66975	6077.414883	5688.046504	6093.727539	6410.915211
15.09_188.9486m/z	188.9485907	15.0925	neg													1059.210784	1244.694205	1309.905846	1256.732869	1129.607974	1442.138353	1412.812617	1302.429806	1480.773242	1393.693001	1262.662565	1715.449636	1224.506734	887.0677479	1260.90722	1384.821796	928.7361808	1235.156772	1841.278858
15.09_452.9988m/z	452.9988194	15.0925	neg													4416.745778	5180.857626	5670.756391	6172.320827	5624.186894	5743.994967	6650.508523	5651.168016	6854.491698	5616.774369	5491.697519	5441.529714	5549.079496	3752.165137	7371.514274	7573.668795	5109.416818	6879.330751	7946.309127
15.11_264.9739m/z	264.9739426	15.10506667	neg													4498.531644	4337.477829	5023.529814	4635.883016	4516.248803	4697.641524	4702.955763	3949.537611	4162.310814	5819.417294	4774.039297	3969.792051	4108.283009	4891.244591	4193.107497	4758.897611	4304.932646	5228.575996	5207.165229
15.12_365.0037m/z	365.0037027	15.12096667	neg													2615.06572	2815.450632	2083.844441	3141.346385	2786.508185	2787.920614	3748.452097	2674.145954	3121.857021	3607.19159	2496.289563	2768.062281	2160.209808	2477.331298	2440.654739	1982.883026	2143.792979	1517.296008	3873.127349
15.15_398.9899m/z	398.9899025	15.15243333	neg													1330.134883	2132.585871	1780.618236	1704.420026	2258.00814	1161.537655	1750.434202	2449.677704	1788.662691	2388.06718	1906.628329	2471.921266	878.084735	1602.971968	1133.987016	1960.485141	1325.152929	1844.756418	1829.296825
15.17_159.0696m/z	159.069629	15.16688333	pos													7772.519012	6242.444858	7133.045558	7561.503657	7680.534451	7979.791466	7133.410448	7425.595085	7129.309129	7730.293426	7799.824236	6483.833576	6218.537821	6180.957413	6852.266733	7314.176987	7295.977912	6977.695394	7372.071836
15.17_702.5347m/z	702.5347343	15.16688333	pos													26847.57303	27030.68506	21479.84827	26673.71339	22617.15543	24649.81046	24761.24252	25658.82786	23773.03464	24779.40682	26608.43494	34982.29537	25115.44641	27084.24884	26121.75924	28242.79002	29323.8853	26361.31134	21903.00665
15.21_413.0041m/z	413.0041481	15.21065	neg													2617.508914	3409.989455	2164.752282	2124.224971	2553.357233	3217.02414	2238.818661	2111.471421	2884.040406	3923.721829	2983.534517	2130.759435	2810.50112	2952.194194	3104.815601	2912.358059	2936.456206	2837.470475	2296.915996
15.23_161.9123m/z	161.9123349	15.22701667	neg													1076.808111	894.4544849	847.2683449	1147.26667	873.0491329	872.054502	692.5979616	910.5377963	710.4002818	1021.838669	986.9999023	906.4243396	1170.898631	1300.204607	1115.780087	1152.150838	1076.021211	1173.71156	945.4538491
15.23_331.0017m/z	331.0016619	15.22701667	neg													2185.268224	2444.765174	1739.172165	2611.214568	1933.868175	2946.427626	2076.644822	2147.643927	1802.937166	3042.298655	2291.611697	1690.216179	2526.59014	2214.919308	2060.916532	2713.524031	2708.991246	3047.942374	1738.502304
15.24_217.9002m/z	217.9001786	15.23936667	neg													1021.637809	938.8939537	1009.431483	1254.878593	894.8446576	1096.197146	1049.572442	907.7287674	966.0329147	1512.915761	963.7134839	1033.360961	1376.85031	1452.345989	1034.188148	1011.379732	1378.232434	1448.243253	1110.195804
15.24_271.0008m/z	271.0008399	15.23936667	neg													2548.506222	2915.798033	2115.097541	3230.978471	3067.956732	2896.985431	2437.264919	2582.68084	2574.809288	3700.878474	2848.772181	1939.2801	2592.327655	2640.509266	2704.92607	2970.731394	2716.063206	2869.87135	2210.776408
15.24_328.9868m/z	328.9867997	15.23936667	neg													2094.618344	2164.215291	1633.183325	2775.796604	2102.746716	2678.852074	2346.843465	2036.842723	2045.749278	3111.483527	1977.818658	1778.460762	2109.849091	2156.400283	1849.77878	2391.855259	2661.52151	2995.894412	1892.35329
15.26_355.0011m/z	355.0011225	15.2609	neg													4289.047133	4356.72004	3803.606229	5061.10104	4843.61636	4516.985931	3702.806982	4232.302447	4001.222261	6026.238735	4805.456674	3775.640351	4456.258284	4903.413776	4421.044271	4357.077906	5144.562876	5258.984074	3851.242427
15.26_592.1492n	610.1830294	15.25776667	pos													62533.33712	66636.28364	55472.43549	65476.38399	59806.48531	62674.78132	92760.90133	62779.31839	61487.64149	59947.88946	59885.63186	12184554.43	9580584.91	105694.7726	81329.4581	67574.23058	62146.43769	65429.97221	68280.2627
15.27_303.0070m/z	303.0070004	15.2732	neg													4156.393621	4130.604576	3773.066867	3390.113272	3061.616134	3644.482927	3376.535307	3835.402307	3103.613322	4780.360424	3332.82257	3008.157672	3606.537229	3824.717058	3295.93984	3737.980228	3886.976169	4496.083042	3269.253651
15.29_315.0071m/z	315.0071303	15.28595	neg													2264.582273	2076.259643	2291.598815	2270.219496	1996.907897	1700.75853	2282.322635	2447.650492	1625.3691	2443.376606	2206.309092	2171.736387	1561.795246	2442.228717	2389.089692	2565.146969	2015.506241	3052.394132	1739.997873
15.31_401.0051m/z	401.0050775	15.30681667	neg													15591.22509	16177.89426	16421.3851	16245.23867	14520.87404	15833.80598	15981.45968	16408.99945	14838.03243	19177.61207	16373.57619	14511.41621	15847.23967	15778.30758	15899.97464	17028.32619	17132.61378	18623.43261	14733.88704
15.32_312.9916m/z	312.9915932	15.31833333	neg													1973.894292	1747.073592	1926.639091	1683.541319	1576.978089	1556.767018	1885.881145	2109.010986	1985.97126	1846.084518	1765.945428	1562.865312	1559.84307	1900.685596	2049.862692	2047.437539	1933.404288	1435.124563	1485.647583
15.32_439.0025m/z	439.0025493	15.31833333	neg													2840.717281	2387.767672	2928.144114	2060.92639	2653.073423	2431.77086	2210.129642	2916.297657	2065.898159	2953.461081	2470.204757	1779.74937	2106.804979	2455.100691	2706.643414	2504.560198	2575.331786	1851.223905	1919.350064
15.32_469.0283m/z	469.0282739	15.31833333	neg													4339.395801	4749.334743	4414.821588	3707.825659	3750.187014	4889.838718	4362.283092	4450.805614	4195.072198	4069.967493	4347.310029	3779.534593	4220.526363	4060.949517	5023.825203	4325.817952	3752.797769	3697.458197	3302.435488
15.32_537.0161m/z	537.0160529	15.31833333	neg													4072.100419	3754.273468	4459.910099	2732.890944	3284.484989	3377.086965	2718.185518	5153.938323	3614.22855	4832.321215	3256.207059	3615.002484	3236.06362	3427.84388	3712.373865	3454.455874	3727.789989	3528.622645	3502.669804
15.33_316.9861m/z	316.9861478	15.32668333	neg													1664.740707	2111.868276	2086.891647	1290.284415	1659.64865	1604.094106	2041.831742	1989.513791	1816.710746	1832.353516	1516.768959	1451.721418	1714.355226	1783.074851	1835.306582	2209.494857	1817.360318	1259.792628	1264.492417
15.34_161.9123m/z	161.9123465	15.33796667	neg													677.7109774	557.4577121	594.981678	573.7601768	619.3907178	627.3991657	637.4635454	652.3946116	485.2878511	381.3763581	524.2174778	488.9547849	760.7444141	672.8806062	648.9855585	739.2096902	695.9932144	482.676021	527.9831801
15.35_318.9820m/z	318.9820477	15.35455	neg													3169.290495	3775.40563	3366.200381	3244.967623	3499.85456	3860.706886	3584.722624	3898.401624	3650.208099	3417.02593	3714.385361	3140.3467	3403.173592	2980.370451	3714.888277	3954.464559	3536.429618	2825.522627	3106.253967
15.36_336.9929m/z	336.9929112	15.36276667	neg													6002.887624	6137.920496	6094.728435	5884.734855	5771.534634	6127.716671	6944.257067	7039.973663	5863.15785	6699.855286	6861.262416	5531.812606	6151.093959	5700.7637	6362.946756	6910.58629	6197.091331	7236.307679	5566.015656
15.36_374.9896m/z	374.9896215	15.36276667	neg													4769.939402	4977.781024	5199.773116	5694.988056	5165.914255	5339.250162	5607.738403	5182.09359	4973.526472	5498.208094	5382.890105	4671.113569	4944.253973	5595.936135	5556.492981	5269.107424	4934.708271	4926.235413	5123.718623
15.36_384.3465m/z	384.3465072	15.35916667	pos													8838.316812	5988.687262	6064.482565	7026.864161	7552.054667	7968.269659	8383.501259	8809.703638	7057.237624	9728.507466	6519.103529	3830.762694	5568.889057	5458.199765	8689.846792	8711.841502	6210.071017	6999.510143	7113.476402
15.37_216.9922m/z	216.9922356	15.37448333	neg													7816.757435	8149.501228	7446.709025	7615.845604	7390.3084	7739.876538	7291.994096	7873.74875	7492.076463	8810.453187	8170.787102	7375.382816	6922.270799	7700.003408	7510.042928	7677.394916	7447.708305	8527.780779	6565.075199
15.37_284.9971m/z	284.9970513	15.37448333	neg													1412.813924	1603.385712	1531.605761	1623.14674	1718.799888	1913.52634	1570.108083	1706.175483	1643.251315	1599.493108	1714.438185	1700.651452	1854.155753	1377.76177	1696.571435	1939.141006	1737.058647	1307.227275	1577.983376
15.37_389.0050m/z	389.0049797	15.37448333	neg													8680.829415	8636.001903	9004.083613	8422.767157	7979.882602	8869.50442	7970.853415	9469.79713	7906.226262	8358.297917	9093.667152	7564.133814	8298.642766	8114.359658	9210.986943	9250.987942	8050.166518	9417.283651	7918.818311
15.37_435.0067m/z	435.0067366	15.37448333	neg													11156.44624	11552.61021	11339.84689	10614.45445	10802.21244	11301.32695	12322.23803	12834.8511	10598.05015	13787.4493	10018.63789	9876.251868	10095.29278	10413.36737	12354.54171	12672.69656	11928.30976	12324.64292	9903.300507
15.39_222.9990m/z	222.9990197	15.38856667	neg													1561.448994	1530.602805	1541.020786	1490.288735	1941.371879	1837.132784	1353.432404	1763.26708	1874.671066	1925.38428	1778.460274	1396.47279	1742.52953	1347.120152	1658.412079	1657.646764	1391.86285	1526.002177	1435.025768
15.39_274.0200m/z	274.0200267	15.38856667	neg													770.1714626	512.0303101	745.7213745	511.2054888	498.6829931	529.6124732	389.6125069	701.221369	591.8407317	521.1682029	532.0604995	534.4723306	569.4053692	393.7704205	764.5574885	905.2055573	599.5505186	484.5624301	614.3962038
15.39_370.9948m/z	370.9947859	15.38856667	neg													3919.84818	4113.682225	4112.967957	3907.180316	4468.55305	4353.607059	4272.119602	4167.893837	3775.782251	3902.811502	4566.500362	3797.757945	4089.56142	3313.869084	3878.142204	4274.867394	3913.306525	5127.089059	3940.562783
15.40_298.9954m/z	298.99544	15.403	neg													2842.22771	2522.000838	2569.450546	2503.658711	2776.090185	2533.751601	2151.176514	3447.055291	2643.245199	3199.973288	2874.417012	2574.911462	2701.445271	1927.612777	2484.799754	2731.763755	2634.803522	2576.318574	2391.055822
15.40_331.8567m/z	331.8567072	15.403	neg													785.0708569	1015.396965	1173.404289	1100.322297	877.2728642	1114.648699	830.7001738	1309.56177	1085.431152	1273.753102	1090.856892	1107.267855	1151.482694	1092.94396	864.6472557	988.3235995	1058.284281	959.8431584	995.7540706
15.41_266.9897m/z	266.9897266	15.41376667	neg													2710.928483	2654.22931	2835.172748	2936.381175	2807.400934	2827.833586	2275.166348	2888.833831	2814.471971	2788.822582	2909.8309	2609.57966	3075.521125	2613.60262	2852.881434	2988.484724	2849.35205	3132.131854	2660.836305
15.41_303.0071m/z	303.0071304	15.41376667	neg													2109.605411	1973.181622	2329.840897	1689.83011	1825.934337	2191.845796	2022.034572	2041.852547	2089.031184	2626.181777	2410.166662	2019.593869	2228.50644	1845.01468	2004.015821	2423.722976	2000.931344	2492.707409	1863.974305
15.41_328.9869m/z	328.9869063	15.41376667	neg													2207.471926	2334.019355	2708.085508	2081.12447	2155.167895	2551.417003	1784.824539	2377.89107	2633.903698	3098.163232	2389.529698	2322.757904	2593.149098	2062.368838	2277.377237	2549.156335	2294.97608	2624.998101	1959.141903
15.41_348.9925m/z	348.9925268	15.41376667	neg													4235.038492	4994.008341	4897.157318	4568.869598	5084.623402	5422.329735	4925.180392	5317.362739	5386.363331	5254.324516	5143.599378	4597.700335	5341.795651	4270.130084	4991.377424	5638.177494	4861.192605	4680.646335	5051.317128
15.43_240.9898m/z	240.9897566	15.42653333	neg													3679.460896	4087.009058	4052.076211	3826.83071	3401.073843	3827.924426	4007.372757	3889.444184	3503.588262	4017.722862	4144.39783	3422.576967	3927.774356	3386.54996	3807.694264	4071.893527	3640.031855	4137.726282	3385.460965
15.43_314.9882m/z	314.9881767	15.42653333	neg													2015.808881	1982.187867	1947.937931	1469.29404	1753.880787	1453.935086	1893.878791	2072.323334	1907.964326	2690.054987	1864.941657	2065.467593	2107.089577	1709.931732	1762.751813	2142.133532	1677.67419	2579.01915	1475.213825
15.43_316.9863m/z	316.9863164	15.42653333	neg													2549.918694	2743.326539	2913.248504	2518.984441	2538.501903	2646.39507	2451.266281	2628.577721	3018.982211	3452.613986	2937.523839	2739.239554	2532.212777	2441.802932	2527.328082	3002.166817	2242.505558	3328.001154	2217.906876
15.43_331.0017m/z	331.0016906	15.42653333	neg													2550.792093	2806.083831	2724.89682	2336.673552	2661.638794	2810.202904	2234.78075	2500.402646	2812.496106	3809.757356	2982.030551	2376.269093	3131.918888	2651.561354	2738.676399	2944.513124	2400.291135	3435.287005	2212.694656
15.43_383.0139m/z	383.0139125	15.42653333	neg													5313.531986	5256.691689	5501.382988	4918.650389	5941.086907	6034.334896	5169.586116	5918.280584	5259.143701	5988.504722	6657.327287	4618.821623	6387.529963	5635.667232	5657.732615	5771.29804	5597.953992	6651.910027	4609.228266
15.45_171.9457m/z	171.9456664	15.44825	neg													14205.84016	15247.32614	13424.11521	14303.9126	14566.37261	15287.42917	15094.69624	15149.85369	14937.78667	16539.09568	16354.51464	13017.15012	14319.4502	13734.27156	13932.17886	14404.13943	13941.40241	15266.35475	13086.74788
15.45_233.0035m/z	233.0035216	15.44825	neg													1147.38639	1199.777146	1361.874382	1255.360859	991.7795904	1264.777074	684.6019836	1248.688357	1041.22139	1465.717113	1372.043661	1067.737439	1351.115565	1000.572366	1432.715394	1244.113317	1156.536399	1917.454034	914.9179668
15.45_257.8561m/z	257.8561408	15.44825	neg													557.6654442	731.9589069	769.7886895	739.9434605	717.8478888	894.7621841	599.712517	905.2757071	755.6801195	943.9633397	932.4968658	669.604037	731.9556429	702.3807563	759.5338908	617.4025215	598.7228823	814.6192351	651.9990214
15.45_307.0023m/z	307.002256	15.44825	neg													3255.774369	2826.098584	2655.695653	2584.171466	2476.224979	2575.187394	1767.152449	2359.010588	2420.874712	3249.830294	3182.320473	2332.939177	2764.949262	2719.678586	2917.590996	3014.409186	2612.073768	3631.380756	2470.068037
15.46_324.0165m/z	324.016547	15.4561	neg													884.3037123	997.7997138	1144.676533	678.9861856	1138.385989	1341.190528	1454.246396	1621.440714	1013.022453	1480.902778	1254.406439	901.9533937	1033.287019	1167.629757	1440.456215	1388.008178	640.2183214	1347.702975	1068.218084
15.46_469.0282m/z	469.0281955	15.4561	neg													4831.197048	5086.412433	4877.747388	4294.562669	3898.798918	3393.185824	4224.505042	4797.658601	4319.298226	5429.570033	6082.412668	3967.148655	4173.247606	3510.541903	4462.449742	5284.785821	4639.116177	6544.4568	3404.116605
15.47_158.9862m/z	158.9861749	15.46928333	neg													2203.775474	2225.401777	2309.700734	2226.044014	2193.377855	2350.217619	2274.521118	2541.62107	2229.190942	2441.786833	2572.656293	2136.750222	2275.483067	2160.310612	2395.330493	2317.500193	2400.637969	2394.862297	2038.017613
15.47_229.9518m/z	229.951752	15.46928333	neg													3795.538443	6194.781076	5814.474315	5515.329755	5167.406964	6231.149168	5992.62383	6296.897931	5278.309894	5872.6183	6287.434783	4817.132601	5749.790135	5259.051723	5510.831015	5906.611349	5345.125036	5684.315695	4914.494955
15.47_305.0227m/z	305.0226521	15.46928333	neg													8404.671768	8451.39228	8293.22041	7714.587278	7518.548616	7928.623382	8625.24383	9289.532121	7580.414996	8794.57281	8688.848961	6873.70614	8306.105089	7971.949913	8625.432991	8858.873045	8302.574843	9206.875885	7808.59763
15.47_312.9917m/z	312.9916983	15.46928333	neg													1767.421379	1527.951957	1644.093783	1393.659946	1105.746043	1429.551225	1163.554285	1555.592192	1397.347237	2063.897357	2046.54021	1443.166959	1570.399537	1505.837879	1725.415979	1491.159462	1658.843969	2138.847294	1113.711456
15.47_339.0079m/z	339.0079303	15.46928333	neg													9811.284653	10549.11361	10698.58713	9102.397047	10010.90141	10461.93855	9995.255301	10617.15574	9545.931727	11497.87799	11117.13444	8824.619515	10024.73938	9167.870276	10825.99522	10827.73363	9703.973642	11074.11548	8825.659124
15.47_374.9896m/z	374.9895889	15.46928333	neg													2263.841757	2339.9413	1870.129269	1958.46133	1949.840274	1758.409448	2010.635346	2025.0174	2069.883223	2175.368955	2690.354247	2008.808052	1671.565959	2149.795256	2240.619305	2079.5918	2478.565202	3209.69057	1865.680557
15.47_422.0190n	467.0127267	15.46928333	neg													8047.741478	8038.877082	8583.331139	6233.89582	6713.135298	7259.80082	8236.038478	7866.883811	6584.606463	10116.26305	8894.196727	7214.253017	8290.132759	7819.095017	7876.374029	7988.270273	7830.825145	11016.43109	6050.610657
15.47_452.9990m/z	452.9989741	15.46928333	neg													5315.170066	6093.302567	5122.009323	4122.566647	4568.975264	5114.846515	5327.832103	5718.922849	5845.113677	6659.898934	6059.403869	4370.727597	5497.889235	5315.7178	5419.119467	6471.00162	4914.824993	6948.925565	4635.781009
15.48_201.0370m/z	201.037017	15.48378333	neg													10299.6628	12338.59312	11083.15608	12246.23705	12178.22278	12306.16933	12203.39211	12582.83909	11055.99201	13207.55448	13800.50225	11323.49373	13196.23441	12740.18261	11541.22473	10868.67608	11937.16927	13088.47314	11079.54097
15.48_223.0191m/z	223.0191085	15.48378333	neg													4798.948731	4957.772901	4574.50553	4790.406047	5025.030535	5261.929584	5269.759391	5412.449775	5059.889922	5360.367611	5320.768114	4461.205694	5080.179925	4755.026339	4712.540502	5389.936604	4780.038456	5429.946175	4263.829846
15.48_271.0008m/z	271.0008261	15.48378333	neg													1879.222508	1550.963778	1722.110962	1357.551462	1660.724177	1403.960765	1878.998983	1682.661421	1601.404586	1942.422337	1935.406717	1466.277803	1579.495108	1803.892586	1686.412182	1812.670426	1621.807246	2735.925058	1355.933194
15.48_286.9962m/z	286.9961837	15.48378333	neg													1323.640698	1492.835327	1324.747732	1058.746246	1082.611965	1413.320394	1344.875556	1188.715237	1137.116504	1391.304307	1582.042739	1187.544722	1240.674037	1405.867477	1445.524187	1344.072917	1417.852398	1835.808799	858.0041712
15.48_298.2557m/z	298.2556726	15.48401667	pos													6634.079958	10021.79916	6020.95795	7410.057135	5794.107414	7677.718138	6384.862192	1438.893179	1172.148904	6170.946497	5929.417853	4060.202925	10832.50853	9489.363181	7725.095023	8066.046055	7587.645509	5733.462349	8897.739858
15.48_318.9822m/z	318.9821578	15.48378333	neg													983.0035722	955.4478811	872.4523163	643.6910015	560.7879022	1009.093152	1441.88791	892.4408231	466.6282283	915.1405465	1041.884139	774.7693084	1170.145762	913.3376621	1046.872922	975.6754585	848.1420417	1195.050504	486.9071555
15.48_319.0020m/z	319.0020082	15.48378333	neg													3467.09674	2985.118498	3288.252703	2545.718433	2379.3791	2741.793349	2783.544899	3204.669976	2878.102132	3703.152596	3497.091538	2745.39964	3145.487733	2971.037645	3364.542636	3711.2773	3399.24685	4196.655286	2303.300196
15.48_350.9886m/z	350.9885651	15.48378333	neg													2233.476709	2092.572466	2130.385283	1789.832582	1887.974175	1828.636395	2681.581723	2212.615743	1881.89806	2325.907322	2454.78525	1956.468902	2236.524913	2329.848048	2486.460957	2402.680486	2099.756845	3157.880209	1866.78574
15.50_161.9123m/z	161.9123287	15.4954	neg													467.3452925	334.0233631	391.082737	249.8853396	280.8122895	306.0120543	417.4799425	286.350629	166.3770732	367.3291319	379.5241489	322.6724858	499.5233038	509.0604017	507.9296027	446.7803977	491.3531592	611.1318881	275.5169762
15.50_355.0685m/z	355.0684946	15.5042	pos													6265.084181	5746.518171	7239.708801	8863.749506	7805.271836	7501.087161	8103.285551	7192.591902	6430.571034	8263.016457	7775.086584	7473.581887	8507.307604	6612.634261	8241.303693	7111.63022	8009.235137	7345.788511	7189.604843
15.50_503.1053m/z	503.1053036	15.5042	pos													879.2980356	714.4304977	1010.078686	991.7999915	1049.906037	1080.085089	998.6322547	1016.970296	936.9280236	1102.429709	1067.041625	708.0332339	1137.837975	1041.586436	1293.970498	1127.029489	1093.237139	1005.734417	1082.114276
15.53_108.0682m/z	108.0682417	15.52508333	pos													224.3493607	134.0772756	246.5198784	215.4014839	186.144611	134.8329352	93.2633046	234.6326265	372.8444426	129.7979411	374.7007438	379.5455845	345.3827019	284.4237209	455.007633	387.6792641	246.7695229	341.3839398	254.5051155
15.53_139.0737m/z	139.0737086	15.52508333	pos													64300.04284	55417.36526	60515.14691	63184.65142	60461.65066	61635.44322	64991.25841	69695.82906	65432.38866	62637.33066	65435.38885	66749.08764	59103.14383	55828.50247	62674.46887	73032.82799	63276.60064	65415.83888	60228.44295
15.53_180.1007n	163.0974346	15.52508333	pos													51345.49562	51260.43196	53986.04592	57347.08518	47013.15049	52692.6377	52015.59245	48489.65013	55510.84902	55210.11114	50487.06052	53831.81424	50447.47865	47089.54797	53845.47788	60025.65901	52863.35779	53178.8017	51523.46205
15.53_196.9710m/z	196.9709816	15.52621667	neg													760.68183	748.8216637	581.1466497	768.1375342	759.7901592	724.2575382	790.4551354	863.7583796	787.5955944	906.1564279	730.3337934	825.0146766	545.2954225	647.881954	472.6454466	699.0433005	710.4445547	603.1796005	456.1328219
15.54_106.0158m/z	106.0158341	15.54395	neg													809.9940438	727.3978379	1097.106329	912.1747522	824.4882917	833.3646975	757.2019107	779.338225	784.7280409	814.6874834	883.8402685	621.4213525	560.6001683	1043.648003	1153.385929	1068.135417	738.2915954	617.2430335	880.0848328
15.55_100.0634m/z	100.0633749	15.54558333	pos													100654.2222	99760.25299	95159.19934	84824.43077	92722.93041	86952.73866	90243.64253	91076.98529	87797.36586	96682.9982	89192.54726	107599.2714	114606.5802	103751.4897	111128.7012	106839.0465	95788.11109	106362.7874	98261.89203
15.55_112.0506m/z	112.0506122	15.54558333	pos													27983.80155	26192.25283	27533.28507	27916.47014	29028.33447	26265.56763	28092.34659	27555.92831	28979.54991	28235.10303	27182.74681	27627.75627	28202.81881	28486.51439	27760.49041	29482.50881	28007.73554	28359.54103	26989.27982
15.55_123.0796m/z	123.0795731	15.54558333	pos													897987.3761	650763.1155	874092.3337	730314.7792	761644.3065	914546.8638	981459.5688	980744.6337	839756.2649	833553.7175	930572.2193	830863.6837	895912.7083	897066.6044	982055.8505	1098543.712	1026370.875	1099211.811	928349.7617
15.55_165.1260m/z	165.1259557	15.54558333	pos													25893.31675	23270.84374	25524.72213	23605.1707	23234.57408	24856.07436	26724.0295	27069.16295	25650.21884	25077.78922	26016.11635	26472.27392	24223.13331	24472.12462	26004.73517	28253.99784	26067.39682	27754.81823	24365.32402
15.55_196.0957n	179.0923739	15.54558333	pos													661382.2013	592307.9094	604208.9263	610740.4052	620533.0749	611830.1756	621112.919	626952.5087	635780.5977	654018.3331	639304.9748	621944.2893	603178.8858	579316.7549	646427.5404	670824.2062	596880.224	642778.2491	596063.5758
15.57_124.1316m/z	124.1315567	15.5656	pos													25436.60197	25272.86777	27336.95437	27001.57366	25692.19573	25546.2643	26422.51783	25676.4862	29856.44447	27725.9794	27280.65905	27183.25252	26079.00875	24332.17123	25280.84124	28144.2706	24527.21169	26915.17279	24234.09442
15.57_168.0764m/z	168.0764491	15.5656	pos													25796.2793	23496.37499	24916.89157	26458.08708	23920.17017	23620.55772	24430.99245	24720.96627	26026.0235	25871.52794	25317.02965	23875.36429	23168.58119	20900.61127	22272.71364	25074.01452	21605.60864	22928.13905	22787.38582
15.58_135.0186m/z	135.0185929	15.57713333	neg													1903.311432	1961.10816	2668.330874	3264.699904	2571.548953	2376.245539	2371.371858	2429.119641	2299.469614	2313.428361	2475.469032	1946.433366	1934.206381	1922.121342	1746.619921	1864.874805	1761.61209	2054.027504	1866.445412
15.58_185.0456m/z	185.0456026	15.57713333	neg													2848.03805	2718.539662	3590.85893	4458.837734	3640.163322	3322.030324	3342.579771	3367.427678	3258.045404	3214.258512	3464.41456	2804.015554	2763.026881	2585.755148	2312.130744	2420.926678	2333.298305	2522.354156	2290.059523
15.61_100.0590m/z	100.0589891	15.605	pos													2746.434239	3399.993473	3214.676767	2910.17967	2318.254874	2683.991736	2956.790397	2312.050004	2618.890448	2981.555159	2407.68597	3181.746315	3330.551925	3083.515929	3417.764784	3329.574742	2878.305452	2971.465187	3106.135106
15.62_176.1055n	177.1127726	15.62433333	pos													17738.61475	22976.91477	20238.19335	21183.06312	12971.29185	17494.5957	16238.11707	14313.28964	16007.09826	15776.73961	16663.11377	23471.54947	32551.90845	19061.71275	22623.05881	21646.32343	19234.00649	16336.28006	16328.72076
15.64_118.0395m/z	118.0395398	15.63521667	neg													4237.165135	6035.800071	6923.527491	8891.368062	7405.374731	7205.087105	6876.291767	7181.046899	6911.517714	6849.7512	7188.415786	4132.706732	4343.340281	4527.716111	4495.145372	4843.72602	4112.515326	4407.73397	4155.203108
15.64_142.0739n	125.0705834	15.64291667	pos													142099.5437	128898.0866	131841.9636	134319.9956	131675.3039	128550.9121	131749.6582	133557.6223	135434.8773	145856.437	136538.7438	134287.4732	126564.0633	129563.687	138857.8712	141977.9443	126415.5053	134222.4697	128826.0305
15.64_171.0300m/z	171.0299745	15.63521667	neg													1711.371582	1871.362685	2522.706882	3137.125005	2424.562383	2323.994188	2209.161077	2368.047855	2163.687987	2256.941402	2438.2941	1695.110343	1764.539055	1712.980553	1582.109913	1640.103249	1508.423167	1660.685787	1531.444066
15.64_193.0498m/z	193.0498287	15.63521667	neg													1392.869414	1512.466816	1968.772844	2837.749846	2399.573757	1896.275961	1790.736386	2080.767517	1878.591561	1921.114324	1998.31844	1336.07043	1201.669964	1359.139046	1257.64197	1224.001555	1441.013315	1506.579007	1374.204254
15.66_112.0358m/z	112.0357867	15.66131667	pos													1905.073283	1775.590911	1705.730617	1310.292927	1338.421261	1115.272529	1964.33648	1452.937167	1675.866502	1259.287107	1502.088617	1736.781147	1850.836827	1958.522307	1431.903732	2343.181355	1775.828177	1483.448915	1957.072576
15.66_112.0632m/z	112.0631933	15.66131667	pos													9281.261823	7892.957834	9143.973984	8361.988735	9639.310777	8340.441881	9147.762321	7960.174161	9393.55017	9746.739146	9481.163649	9271.509775	7863.343228	8758.22658	8648.551703	9436.488754	8145.445121	9143.45718	8834.425341
15.66_187.0612m/z	187.0612477	15.66033333	neg													2941.083207	3221.934822	3959.234915	5084.953321	4018.260037	3757.873858	3902.545404	3848.517131	3776.764693	3809.652874	4064.074233	2961.649322	2896.84289	2774.261988	2302.082943	2609.365411	2560.614103	2890.656882	2467.123458
15.68_137.0968n	138.1024014	15.68031667	pos													22542.61707	23367.72446	23425.53017	24280.19901	19824.97364	21147.14407	24105.71181	21042.75322	21926.45315	22702.61755	23936.10753	21575.2301	22349.61919	20726.81504	22680.63986	28034.14756	24276.53214	21270.918	19997.712
15.68_166.1215n	205.08555	15.68031667	pos													95013.30505	86540.26166	88788.29253	97290.92289	92279.16776	94032.7466	97605.60189	95401.61945	92887.76104	96412.38996	102044.7191	84179.75799	88612.80914	85161.93534	92399.78881	96826.59853	88256.11659	91227.57534	89231.05338
15.68_494.8108m/z	494.8108229	15.68031667	pos													10599.0391	10406.7577	12943.48613	8331.483681	17760.02371	4207.843692	9303.247258	6495.904689	8609.508151	5923.292674	8025.592639	9064.2106	9799.175508	8055.088818	12128.31869	15781.84286	13736.22466	12540.66864	9275.401362
15.70_171.1739m/z	171.1739179	15.69795	pos													7084.307463	6389.633991	5777.248231	7332.651918	6685.73662	6817.555185	6999.441582	7380.751932	7364.533462	6402.391989	7326.583436	6386.425858	6159.010778	6239.724494	6207.446362	7035.013149	6774.440104	6907.930416	6428.859557
15.72_172.1329m/z	172.132874	15.71671667	pos													1003.670497	1304.328625	1108.519089	1013.878795	1558.970496	844.0166618	1417.349244	1609.547001	1420.523942	1310.259275	1471.911192	1406.543425	1795.029477	1331.828996	1810.145913	942.3345804	1829.655038	1807.605682	1128.19215
15.74_110.0845n	111.0917946	15.73598333	pos													188276.9127	179335.5944	188950.5205	196401.322	165174.6297	158521.0322	181054.8405	165574.4388	179874.6445	175389.0469	184058.3833	172404.016	168411.1009	169604.2706	185698.0742	191088.3066	177926.294	172792.9196	169985.1455
15.74_111.0748m/z	111.0747822	15.73598333	pos													8997.931047	9606.51393	9349.857409	9445.657274	7853.240079	8444.793228	8511.639933	8078.438599	7595.840096	8543.429362	8705.152119	8939.030385	8669.971806	8656.787248	9386.63196	9587.449479	8754.225002	8878.696645	8431.407479
15.74_135.0794n	153.1131611	15.73598333	pos													69420.80689	78340.14952	73933.49303	73119.30609	56247.55662	62279.86573	63709.14192	58957.43945	60109.16291	66548.74449	67186.71322	68168.26051	69572.11901	67497.401	75853.00814	79970.60966	70014.95602	67467.26881	62901.91219
15.74_136.1201m/z	136.1200564	15.73598333	pos													303.6740743	297.2895983	283.6557239	117.7969188	0.000297236	0.000297236	0.000297236	123.9573596	241.3579745	621.7725824	345.8521795	158.5017972	0.000297236	92.1965789	182.8029841	423.9253804	101.7740774	95.35272856	0.000297236
15.74_180.1240m/z	180.1240471	15.73598333	pos													1668.185178	2051.171493	1795.526933	1724.763464	531.2681276	1221.29464	1453.385618	442.308672	1508.848884	904.6804468	1516.94347	886.6085395	1674.823021	1276.201441	2164.382881	2459.186145	2151.52769	642.3770923	940.0289979
15.74_187.0962m/z	187.096177	15.73598333	pos													6647.51665	7347.1252	7263.67147	8350.88408	6738.033838	7591.123879	8344.225204	7143.413252	6957.517468	6765.583622	8413.616396	7018.624241	6975.687761	7710.095399	7877.257087	7824.92063	6314.445807	7279.051167	6315.198324
15.74_191.1168n	192.1240283	15.73598333	pos													58724.03861	58193.03019	53938.54111	53931.36425	51589.78097	52042.9217	57402.15235	53913.87919	60368.11127	53895.67299	56098.07038	54030.50523	57024.6272	52349.56225	58509.08157	60679.43834	55326.1863	54739.75245	53498.71338
15.74_206.1395m/z	206.1395484	15.73598333	pos													4992.898077	6326.061948	5603.659488	5427.355349	5229.355192	4324.376138	4118.859262	5348.370892	5111.268299	4513.554062	5164.841354	4879.595797	5291.16431	4459.122777	5648.434282	6395.225501	6007.774546	4991.001813	4366.605591
15.74_208.1190m/z	208.1190483	15.73598333	pos													2329.562313	2174.025278	2611.205158	2058.745968	1697.281126	1436.34501	1769.079387	1816.389839	4973.559054	2438.943219	2680.017256	1290.461583	1971.616346	1801.566543	2443.698821	2871.609948	2107.655668	2235.164013	1671.504907
15.74_220.1188m/z	220.1188054	15.73598333	pos													3615.524062	2967.943764	3209.373616	2821.833283	2741.721605	3448.769173	3435.471146	3345.180999	4263.611067	2751.286528	3308.220341	2928.774602	3073.454541	2887.318967	4028.875549	3120.191313	2837.838699	3692.543064	3384.914301
15.74_227.2364m/z	227.2363928	15.73598333	pos													9183.224965	8918.009242	8610.720506	9986.54039	10032.55363	9265.783348	10711.48152	9145.608533	9834.835882	9388.080118	11219.59571	8917.754651	9519.909118	8936.634423	10109.47089	10427.62089	9308.080095	8893.582385	9647.323198
15.76_203.1274m/z	203.1274325	15.75651667	pos													2832.582272	3879.684	2987.916466	3010.190731	2305.932125	2492.22116	3481.457558	2902.811085	2218.047562	3552.241691	3511.311824	2875.720101	2843.702447	3090.258833	3618.27392	4074.834595	2005.160823	2128.786421	2420.208726
15.76_287.2210m/z	287.221029	15.75651667	pos													3770.014584	3908.492935	3589.510447	3378.675958	2811.526128	3102.670349	3814.709688	3590.301366	4220.962752	4233.238246	4087.573277	3655.339003	2520.63442	3831.43437	2740.266619	2901.628741	2772.447291	3017.275123	3467.626679
15.76_356.0694m/z	356.0693702	15.75651667	pos													3834.879645	4249.967381	4381.374834	5038.706756	4030.62938	5350.302964	3685.400484	3372.324266	4394.431076	3192.514215	5155.736685	4544.807192	6213.581375	4458.640126	4418.868829	4295.962404	4437.487979	4321.927688	3315.120314
15.78_164.1433n	203.106359	15.77676667	pos													54222.87428	47579.6791	50959.0536	53365.47232	53263.37847	52861.81748	58987.83776	54250.66231	53275.70908	54335.35538	59015.52512	49029.15923	52481.96287	49239.51234	54917.01643	53885.5121	50373.30788	56180.30355	54702.07501
15.80_248.9215m/z	248.9215082	15.80146667	neg													7241.649947	4614.48531	5855.264865	5404.980243	4372.418126	4674.274074	4469.335425	4461.930096	4412.205853	4595.346093	5062.142374	7015.888884	7379.321857	7936.803569	7863.386128	6670.191861	5873.493407	5038.890384	5057.452697
15.80_265.1480m/z	265.1480247	15.80146667	neg													1548.428553	1270.222776	1947.406987	1889.906816	1291.188542	1253.498551	1258.577535	1151.241832	1209.387698	1613.55749	1447.832806	1436.590411	1343.155582	1872.911237	2110.953318	1936.718327	1671.7618	1176.248498	1228.043919
15.82_126.9036m/z	126.903565	15.82093333	neg													1325.688683	829.4821129	1102.832509	1079.998813	945.6376604	874.7868732	828.5159018	846.9581476	781.6561264	997.2025645	961.2681471	878.1991449	1091.077808	1150.939451	1247.696401	994.6719271	1218.80949	1177.956574	1140.929084
15.82_169.0496m/z	169.0496224	15.82093333	neg													7533.473691	6137.235978	7327.741842	9652.639109	8144.91227	7554.172217	7164.914108	7572.277067	7192.937578	7126.804922	7547.947365	7247.839317	7398.816213	6903.778162	5549.159963	5818.659839	5976.803707	7065.007001	5951.80596
15.83_154.1305m/z	154.1305389	15.83363333	pos													25497.73541	21036.44639	20995.54807	24409.16426	22025.77922	22477.10025	22326.6132	21264.95402	20041.66593	22879.5306	26221.39971	22163.53098	19887.98705	21379.66602	24376.69947	25552.68845	21721.45304	19696.81806	21066.11959
15.85_208.1191m/z	208.1190637	15.85248333	pos													2039.331678	1460.138811	2486.425492	2098.02519	1932.740571	2693.969356	2551.835984	1253.577272	1895.959045	2522.395788	2554.338289	2171.293247	2498.201792	1877.329599	1737.819309	2215.867839	1835.055429	1394.551241	1725.290625
15.85_427.3774m/z	427.3774359	15.85248333	pos													59180.8184	52099.44519	52555.4563	50883.30135	60944.92345	52706.45267	77584.75439	62408.9586	63332.30636	64488.41073	77246.99941	53578.98849	65827.37399	55252.94365	62699.07726	53300.61099	57107.75503	60260.4108	63087.81873
15.93_152.0813m/z	152.0812832	15.9287	pos													1865.085927	2531.735514	2282.503571	2443.154092	1560.525097	2025.551712	1998.791061	2418.478343	2519.8308	2997.152711	1705.059684	2444.593032	2478.525284	2811.446875	2426.81623	2581.970981	1793.530925	2297.08321	1656.049557
15.93_223.1819n	262.1433101	15.9287	pos													20392.95385	19107.33463	17683.06071	19074.17793	19705.77204	19262.60996	23430.60715	20609.95829	22013.27475	19596.72724	20444.52496	17916.58552	18725.13541	16736.89339	20607.20745	19116.00307	16993.5045	21448.30122	20833.95208
15.99_494.8108m/z	494.810784	15.9875	pos													19531.40314	26121.67569	25446.3214	20059.11322	15025.17705	17995.9561	17737.15961	19273.42657	13551.61428	22413.60959	22326.42799	21299.10284	17086.11877	24868.85583	23914.26916	25539.77492	21217.74332	27048.76222	15727.71501
2.00_137.0458m/z	137.0457607	2.002466667	pos													2389.632568	2660.615411	2726.030805	3023.661009	2759.410412	2340.554051	2354.943975	3055.383688	2344.395748	2488.948744	2426.490729	3596.599636	3038.532118	2731.037981	2918.84247	3202.539015	2825.836169	2707.500571	2715.657398
2.00_187.0964m/z	187.0964282	2.002466667	pos													813.0044245	876.8201578	708.88865	848.4030321	1036.561665	744.3415288	937.6876773	1634.413925	827.8100075	920.8919866	560.1025133	1038.630759	1183.823686	987.1143179	587.0780165	1093.440982	953.8311322	652.9760803	696.681076
2.00_240.1804m/z	240.1804399	2.002466667	pos													729.615596	643.7375921	628.1588768	625.2413362	913.3727306	736.2294592	470.2477624	465.6609173	458.2055342	497.3373223	427.984462	562.3022302	790.6348028	713.7750889	739.9393461	819.5898058	718.6070787	414.2004777	399.8867166
2.00_309.2032m/z	309.2031826	2.002466667	pos													4037.274754	5298.250896	5273.712112	3775.125481	3892.985258	4205.66633	4486.23108	5598.824048	2807.535873	4314.712616	6439.889173	4654.687262	4305.06468	5268.493913	3996.85317	5488.516273	3927.850309	2777.878497	2852.510039
2.00_331.0018m/z	331.0017662	2.002466667	pos													1014.124978	1031.906761	1132.994849	1172.127597	914.6932614	891.1158035	765.3700704	913.7609195	884.0374114	1101.492938	861.7957031	959.9323262	1385.839908	1021.443795	733.4219387	947.2691201	857.634452	790.7608695	719.8158465
2.01_364.0875m/z	364.0874922	2.012883333	neg													2758.947426	2449.868129	2793.464386	2930.619184	1968.578152	2106.065661	1881.925338	2059.876828	2706.584832	1505.724117	1636.347406	5369.458324	2064.557476	2339.992999	3495.149244	2642.073283	2651.960193	3115.051853	2427.769736
2.02_118.9427m/z	118.9427416	2.021083333	pos													735.6496557	875.7194255	1236.450587	1457.253913	1560.184405	1010.401321	1038.03991	1250.972893	1214.068772	1344.881541	1485.441159	1469.145472	1621.04794	1249.839382	607.8665187	1640.488873	1434.405413	1313.025088	722.4471219
2.03_163.0236m/z	163.0235976	2.033916667	neg													616.3487498	535.1557294	601.8381844	636.0090701	479.6240628	387.4313665	639.5909974	426.0899177	495.282493	519.6773375	583.9354203	587.8678366	681.715456	666.5883552	638.0349911	763.6580878	608.4475751	624.3731848	610.1568389
2.03_458.0824m/z	458.0823622	2.033916667	neg													1858.286231	1356.01682	2303.627587	1671.628958	2743.815919	2474.139007	1772.092474	959.7797378	1370.369388	1833.540669	2311.138459	1479.509621	3065.131691	2495.150305	1689.291464	2091.423157	2559.622472	1714.246971	2065.746934
2.03_458.9853m/z	458.9852846	2.033916667	neg													1335.906259	1707.757526	1492.982453	1120.682242	1833.612591	659.8573308	1485.919468	1033.127028	1400.472431	1045.327438	1844.857648	1547.477374	1679.634966	1078.349201	1167.034675	1370.956683	1568.933833	1843.425491	1289.876986
2.03_582.0395m/z	582.0394799	2.033916667	neg													2561.522484	3109.401387	1985.820445	1588.547335	2109.83482	1945.743703	1904.88373	1907.855129	2335.599883	1728.516907	2465.628946	2878.14263	1512.461584	1482.528846	1477.191213	2636.87272	2098.277596	2389.78827	1771.58861
2.03_820.0984m/z	820.098418	2.033916667	neg													6509.946919	4813.953617	7710.13846	6737.70606	3529.558891	3493.999095	4509.830629	5158.394728	5826.407692	6938.245749	4550.200876	4636.387138	6992.178658	5923.636203	4960.843728	5037.89458	7332.375603	5244.98084	5450.223703
2.05_142.0495m/z	142.0495398	2.054766667	neg													8558.905698	8913.415853	8816.020712	2343.969802	14912.13569	3493.525231	3042.709422	40794.9058	18513.99486	3294.297739	3175.511962	5037.382921	5135.423643	8068.73003	7912.526043	5796.624456	9881.278079	5409.012143	6189.028845
2.05_147.0438m/z	147.0437657	2.054766667	neg													10909.51406	11866.05913	11487.51309	12102.38014	12528.54131	10803.72529	11360.43427	9629.897688	9474.913208	12283.09151	11878.10076	10871.52151	11963.0164	12077.06459	11918.95529	11131.24159	12109.92194	12075.35477	14599.67666
2.05_164.1374m/z	164.1374208	2.054766667	neg													721.8348218	433.1108574	631.1892403	266.0277127	512.0890577	464.6479407	995.6168078	221.5516845	110.2392498	323.7016221	398.3782428	168.232994	815.9871437	676.4943844	444.8430098	468.8707108	859.6131122	1020.71383	419.7332982
2.05_166.0768m/z	166.0768237	2.054766667	neg													2572.50531	3079.602631	2991.024941	3428.502119	3271.493397	2791.20425	3000.311661	2446.031445	2172.967509	2797.048469	3021.859487	2653.474779	3288.517541	2848.778229	3074.427463	3081.225119	3196.834927	3348.701189	3941.74158
2.05_176.0672n	351.1323319	2.054766667	neg													200634.7258	240325.5574	198089.5015	223511.5674	238351.9125	213403.3339	212668.934	184301.7878	162150.9132	227208.3559	211040.0568	205649.5989	230583.2464	220633.4247	221401.8409	195112.4052	223586.2443	228732.529	306810.4076
2.05_188.0916m/z	188.0916028	2.054766667	neg													3644.033218	3770.534851	3811.942871	1226.02082	6570.974657	1948.412331	1207.252488	20040.98202	6622.570462	2404.452166	1380.406716	1847.561818	2344.264033	2607.474723	2221.111629	2184.470615	3109.259782	2434.012712	2483.438054
2.05_210.0373m/z	210.0373378	2.054766667	neg													3358.107331	2914.337942	3238.027601	836.6656484	5194.175025	1538.807273	950.8898626	15033.25891	7018.159071	1105.206249	1628.543894	1964.220016	2057.780745	3054.09037	2745.560869	2535.535762	3325.22244	2278.495506	2055.018825
2.05_216.0846m/z	216.0846297	2.054766667	neg													1370.81555	1293.510694	1492.969562	1232.912852	1573.564619	1320.972	1912.191668	1034.040503	870.1283529	1435.124043	1245.336018	991.9576325	1430.274264	1670.131869	1301.056119	1261.028059	1609.587115	1557.163453	1215.21329
2.05_222.0295m/z	222.0295327	2.054766667	neg													25881.95877	26858.78498	26901.77122	28125.90866	29085.18713	27234.06839	26982.88461	23925.52179	23163.65702	28418.99932	28680.73362	25904.18966	28263.60028	26323.6978	27297.32207	26602.66175	28628.44742	27382.44683	31229.7611
2.05_224.0266m/z	224.026596	2.054766667	neg													7870.689464	8938.796681	8027.132083	8873.088372	8542.567485	8521.382967	8063.043725	7450.214533	7192.805657	8825.848454	8896.59335	7923.160677	7949.583893	8756.017581	8421.173638	7652.469991	8690.768638	8491.900396	10568.11826
2.05_227.0279m/z	227.0278747	2.054766667	neg													980.5767397	1215.645862	1171.946575	78.99469781	1879.19097	63.0745353	0.000297236	5452.325878	2274.572655	70.80606392	134.5394395	553.9506333	462.8544806	905.4645954	774.4249925	719.7052638	1239.578907	611.4589986	389.328341
2.05_249.0488m/z	249.0487853	2.054766667	neg													114373.2383	129521.4782	126819.9931	127710.5497	128451.0709	112981.4513	125128.5089	108619.9589	97865.35384	121999.6474	121407.0587	111560.1104	129289.8231	125715.2035	121813.236	113889.2043	129117.5299	121661.6544	152783.9535
2.05_256.0797m/z	256.0796951	2.054766667	neg													966.653397	965.8780106	993.9181928	47.5138062	2004.485161	386.6793983	335.1053662	6992.017078	1954.267496	431.4403568	148.6457479	584.6380361	579.4742187	653.0088951	549.7224875	461.8004958	766.3711078	258.5561331	460.5356864
2.05_260.0593m/z	260.0592695	2.054766667	neg													6650.104317	7168.1403	6641.772155	7416.46164	6861.005813	7328.972761	6673.887061	5994.743515	6400.861387	7231.871743	7440.801035	6785.749159	7575.126778	7018.178329	7653.333781	7060.359979	7451.522817	7574.136678	8309.509694
2.05_270.0961m/z	270.0960837	2.054766667	neg													2008.569329	2363.143475	2454.239387	2272.492436	2589.090932	2565.06469	2579.729277	2252.557149	1710.628694	2433.033256	2390.131676	2104.9554	1975.578244	2487.835026	2472.521339	2173.142968	2380.538027	2031.48921	2664.580633
2.05_274.0694m/z	274.0693731	2.054766667	neg													1005.643605	1080.778193	736.0975391	972.311122	603.3894507	666.7703527	863.3892763	253.7988985	254.8515617	958.2411854	321.1906888	881.4651959	918.3393489	630.019514	855.2705569	1019.290683	972.7957541	661.6131083	717.6502704
2.05_276.0487m/z	276.0487417	2.054766667	neg													1477.857398	1768.505771	1757.120397	1984.848434	1759.492135	1754.796905	1899.502	1734.638411	1683.042645	1564.350883	1555.007547	2175.5709	1653.840891	1825.902507	1960.020471	1306.6005	1927.530666	1550.310494	1798.330698
2.05_278.0254m/z	278.0254489	2.054766667	neg													765.0711034	851.7801109	1023.775208	0.000297236	1492.332177	0.000297236	0.000297236	4730.773185	2330.224025	119.1789739	120.3864764	269.1430039	151.2820516	747.0412502	601.8317183	293.1353129	684.9548598	491.2427124	273.769343
2.05_284.0209m/z	284.0208901	2.054766667	neg													3629.460615	3913.359283	3532.622229	3668.992117	3705.163395	3885.164959	3726.593781	3381.726908	3645.51538	3541.139078	3638.061128	3532.635919	3513.72281	3294.279371	4023.820651	3442.68447	3727.404246	3626.386226	3383.618549
2.05_290.0176m/z	290.0175936	2.054766667	neg													18488.23576	21076.18735	19880.01969	20929.58073	21531.211	20951.23266	19936.17343	18605.8432	18656.18316	21028.22538	21813.56755	18455.38391	20659.89748	20594.02282	21081.51878	20283.58902	21509.25067	20699.58214	21787.36979
2.05_292.0147m/z	292.0146594	2.054766667	neg													6391.843773	6158.540973	5523.958446	6826.8237	5940.336211	6193.881306	6711.369812	5611.014915	5498.281312	5991.625149	6417.311845	5565.24762	5934.413527	5633.124477	6471.567522	6222.788996	6750.477592	6116.200261	6104.927018
2.05_305.9613m/z	305.9613403	2.054766667	neg													445.5711569	286.9944404	400.0110283	254.7345076	662.0961181	505.4351157	373.2317467	439.4259657	166.1598356	418.2399513	497.9886055	392.9707138	146.0287169	0.000297236	472.7439086	413.9677887	155.8262296	347.4995173	162.9863335
2.05_306.9621m/z	306.9620945	2.054766667	neg													4018.901157	3841.392532	4251.893589	3535.902659	4443.761512	3504.72919	3777.670007	3374.256672	2992.816834	3393.842181	3861.175106	3538.322099	4308.273933	3701.538443	3345.178426	3785.313093	4218.086526	4013.922274	3822.487728
2.05_317.0363m/z	317.0363148	2.054766667	neg													16944.77317	19812.76444	18810.93614	20687.64141	19808.01772	19227.97316	20763.12246	18312.5577	17879.44631	19719.5181	20384.96393	17312.04516	19964.39551	19165.61295	19427.50479	19606.44005	19373.13674	19777.74533	20528.80549
2.05_331.9578m/z	331.957779	2.054766667	neg													1895.511435	2399.462871	2444.141133	2156.947605	2012.829073	2431.174816	2886.853439	1732.029437	1626.6946	1898.976837	2173.281762	1943.487699	2085.932465	1909.808891	2338.918667	2348.13031	2083.12763	2592.280287	1707.699669
2.05_335.1588m/z	335.1587588	2.054766667	neg													611.1119247	657.7370117	519.1828278	567.8004562	509.2185373	592.4328993	372.0739617	359.9436766	641.215678	607.1797023	909.2489003	304.6583398	769.5696235	145.581519	706.9362356	608.8792309	573.1790898	646.2745375	700.4011334
2.05_337.9565m/z	337.9565272	2.054766667	neg													3530.673753	4114.243478	4062.619259	4531.535351	4599.346386	4451.649021	4380.153371	3790.715198	3849.413264	4419.659241	3845.535257	3450.763836	3722.226759	3716.885133	3699.032979	4005.519478	3947.677918	4683.926446	3673.138762
2.05_351.0049m/z	351.0049202	2.054766667	neg													11485.90289	12707.162	12181.50273	13131.65828	12514.69945	10993.23884	12636.19668	11266.64807	9975.985559	11551.95731	11183.32942	11126.33502	12036.57187	11779.20178	12828.47432	11863.58285	12886.15988	12574.74611	13716.84412
2.05_352.0172m/z	352.0172083	2.054766667	neg													9434.623533	9201.011176	9794.626422	10148.98141	9479.119614	9371.800512	9577.162965	8659.058282	8089.681138	8956.494346	9307.382819	8559.848668	9948.011021	9989.436124	9583.05518	9737.941444	9470.358954	10179.26741	9778.332272
2.05_352.9837m/z	352.9836807	2.054766667	neg													12032.23575	11983.6699	12275.49616	13279.52881	12680.63099	12295.66839	13437.83868	12540.83974	11833.95083	12520.25073	13387.67688	12039.0767	11932.73598	11176.6739	11871.13071	12807.04366	12887.80837	14939.16371	13891.87642
2.05_353.1387m/z	353.138681	2.054766667	neg													3880.123459	4231.438357	3475.335239	3338.794305	4084.595601	3925.142104	4061.850064	3111.671116	2464.639099	4270.139491	4250.593562	3826.051718	4287.611401	4172.664491	4411.612309	3320.350828	4383.30354	3866.001703	5979.083955
2.05_358.0050m/z	358.0049771	2.054766667	neg													14894.06722	17966.82844	17751.44523	17894.12017	17649.29794	17003.55569	18640.32479	15753.80252	16286.97787	17745.92426	17083.06495	15846.007	17071.59922	18555.96832	18709.62509	17349.73193	18768.73956	18347.11672	17921.37333
2.05_373.9899m/z	373.9899002	2.054766667	neg													1737.5483	2716.920761	2664.058371	2085.353459	2939.54957	2728.509396	2437.911542	2534.368925	2060.714699	2580.098727	2574.699949	2433.540104	2173.627854	2447.776566	2223.591951	2562.181992	2625.073753	2660.398084	2571.063886
2.05_374.9949m/z	374.9949316	2.054766667	neg													5207.983422	5137.207737	4774.186036	5702.837078	4599.727551	4988.193802	5702.573814	5166.507528	4253.976409	6289.949039	5086.433246	4897.064327	5204.339694	4718.205203	5161.054461	5374.951225	4696.822167	5134.508573	5159.801045
2.05_421.1257m/z	421.1256943	2.054766667	neg													3607.27449	5495.056534	4453.021904	4128.624967	4449.139392	4185.207676	4673.023954	3449.165435	3377.975229	4941.178135	4143.315831	3883.810308	4401.661629	4329.805854	4277.756162	4421.583866	4425.067131	4426.544352	6009.200905
2.05_427.0795m/z	427.0794974	2.054766667	neg													3965.314643	3421.580079	4805.3452	3249.875794	3720.24927	2791.630244	4093.232083	2328.569985	1800.968428	2693.503595	2777.168858	2668.394124	3656.630731	4837.114623	3376.8852	3352.730636	3822.179012	4120.755218	3724.731727
2.05_429.0749m/z	429.0749409	2.054766667	neg													86102.34412	84788.93999	85487.66542	89573.7766	84848.62148	79809.07437	85507.29515	75626.50779	71097.02755	81311.9469	81241.34271	77451.75171	87340.9251	90907.79078	82664.99772	86670.71759	95696.59229	91892.32259	100560.7494
2.05_436.1097m/z	436.1096928	2.054766667	neg													3368.396575	3943.256884	2704.411217	3509.742673	2876.844148	4509.810866	4201.704428	2516.906801	2962.631103	3449.967308	3434.669426	3234.293102	3711.852873	3310.640497	4348.259381	3193.927984	3417.371016	3351.31822	4483.662661
2.05_470.0780m/z	470.0779877	2.054766667	neg													3195.099497	2952.72572	2954.088576	1941.025771	2331.778122	2164.773261	1487.602296	1401.10113	1434.705577	2194.556072	2357.092896	2563.400001	2794.365343	2416.437689	2069.254015	2057.351849	3199.8457	3145.54816	5512.838953
2.05_472.0574m/z	472.0573899	2.054766667	neg													13415.03047	15807.78229	15025.8305	16117.60891	13482.52894	12816.96113	14375.92273	13633.46472	10974.14686	13682.95442	14824.00421	12232.12441	13453.23766	15688.11233	14079.3057	14279.38821	15977.66859	15039.8516	18893.45023
2.05_487.1072m/z	487.1072369	2.054766667	neg													101497.6755	114709.8718	115816.1453	120465.3431	112182.3308	103937.9262	118534.6144	95431.52334	97258.96614	109852.8451	113553.7637	99858.59219	117642.9067	115061.3798	112857.2411	107708.6826	124568.2614	115225.8904	133708.7213
2.05_504.0977m/z	504.0977056	2.054766667	neg													11019.72809	13784.54895	11876.65668	12715.81271	11767.1885	11621.65552	12605.41829	10218.90332	10408.41493	11821.61027	12382.78639	10566.23653	12543.45564	12554.86888	12377.23979	12127.35784	12955.54812	11909.71542	12922.67763
2.05_514.0526m/z	514.0525891	2.054766667	neg													5053.038592	5797.113096	5149.039915	6163.135045	4812.000102	5299.028039	5071.684876	4320.65697	3915.611773	4815.386891	4734.122588	5197.794737	6401.236061	5588.076719	4754.488584	4957.09459	5531.645539	5710.940764	5305.454675
2.05_538.1934m/z	538.1933639	2.054766667	neg													27100.45171	34054.19138	23581.93699	28662.45136	28572.21364	38137.93374	29493.02391	22381.22415	19858.15367	31912.67227	29297.34555	30973.75735	32699.28678	32247.49113	34522.61989	26360.55324	29130.91666	29912.95556	45209.86794
2.05_540.0448m/z	540.0448309	2.054766667	neg													8400.971759	10069.58265	10382.54351	9962.980671	9967.398796	8074.900285	10727.15357	7990.802221	7951.977767	9058.498309	10684.29451	9898.971728	10053.01065	10395.42285	9555.364144	8719.106985	10202.45337	9233.640549	10577.98006
2.05_542.0606m/z	542.0606117	2.054766667	neg													10491.16082	9525.809511	10237.34968	9642.61023	9355.921064	9009.566625	9894.363646	8844.07586	8532.623133	9973.240611	8918.896443	8546.232415	9263.776719	9320.498501	10063.70802	9622.725517	11610.06602	10190.26675	9820.770353
2.05_545.0660m/z	545.0659547	2.054766667	neg													8667.107448	9606.480419	10112.02473	9102.519052	10242.24391	10372.25256	12489.61442	9292.940987	9158.938348	8901.76899	11198.86194	8549.553905	10704.71747	11008.04737	11059.32499	11003.77176	9604.907252	11184.57573	11055.22177
2.05_548.1477n	593.1464006	2.054766667	neg													70032.36263	73609.97314	74821.8829	74211.25755	73543.81252	62781.63456	70191.50543	58844.18809	53852.91042	65217.90347	70443.59508	61752.87333	72891.76474	76112.26905	70568.87294	69357.45046	84048.46341	75913.81729	87470.07733
2.05_548.1487m/z	548.1486714	2.054766667	neg													49861.18603	53272.52194	46950.25946	51004.8232	55976.28077	48379.61871	53242.30653	40181.99873	34184.38134	48873.95076	45659.22203	46736.86714	57860.22139	52802.10812	52957.5136	49407.2572	60179.73598	54779.27782	71845.62141
2.05_564.1929m/z	564.1929467	2.054766667	neg													23513.51962	24335.57196	28895.10697	27498.48642	23730.46558	21586.14443	21304.50173	21770.00493	22160.4771	21692.45478	26207.90823	22696.24345	25921.38035	26280.73049	24667.93526	22341.30557	30446.12322	26223.49592	29601.06102
2.05_606.1076m/z	606.1075919	2.054766667	neg													2112.618115	2182.897956	1930.102173	2231.02765	2112.294791	2385.309681	2047.28698	2097.606491	2070.989314	2365.149267	2576.865536	1911.369102	1955.852824	3356.333781	3138.584207	2036.914044	2897.43264	3331.511838	1624.812085
2.05_606.1809m/z	606.1808543	2.054766667	neg													53835.69785	71918.909	56454.252	65743.85178	65067.45675	65952.33496	68151.38253	52762.3133	45856.34594	67643.89573	66710.62992	61096.58897	67239.47126	66599.28515	65997.1926	60955.07701	68304.35381	66293.37204	91599.90378
2.05_608.0321m/z	608.0321265	2.054766667	neg													3360.640285	3714.620713	4243.455189	3589.948523	3520.685652	4020.819405	3583.231097	3006.462273	2518.730963	3043.502553	3574.065869	2954.941586	3531.585782	3026.250097	2952.42522	3984.82888	4019.91779	3541.568959	2089.723293
2.05_616.1359m/z	616.1358985	2.054766667	neg													42584.72275	45664.17283	42260.76846	44015.36342	42810.59508	38768.27929	45024.88633	34810.13261	31500.3263	38281.50024	41531.89434	37637.50297	48552.79338	44690.9345	45029.2831	41909.46073	49985.08194	44527.19191	58816.03103
2.05_661.1337m/z	661.1337254	2.054766667	neg													8206.129099	9720.170676	10165.56291	10561.11519	9623.680262	9619.070959	12012.96628	9116.431839	8088.637534	8828.849219	11229.4494	8757.375708	11681.10073	11405.65336	9991.524592	10779.40855	12396.78145	11847.02865	12271.62703
2.05_664.1393m/z	664.1392867	2.054766667	neg													5110.827767	9062.449464	7156.587426	8726.012344	8158.987147	8240.040518	8577.380355	6528.702538	6290.170565	7212.085929	8360.567084	6194.862648	8981.187717	9289.311027	8736.997454	7425.219978	6758.905647	7073.89348	9241.324985
2.05_674.0942m/z	674.0941767	2.054766667	neg													4828.573496	4822.462873	4815.492084	5001.623078	3807.337999	4163.460534	5195.402809	3847.143481	3374.807469	4256.79367	5984.214082	3366.55581	4929.342717	5401.371544	3854.635046	5437.241636	6775.509238	4388.620395	7823.494151
2.05_674.1680m/z	674.1680028	2.054766667	neg													40217.308	51142.8144	49024.23563	48759.13195	46806.2785	38644.68573	47800.96757	38626.85266	35457.10562	44420.82727	48182.91294	39428.79566	47727.02484	49611.09897	44318.49149	43684.72629	49978.24136	48641.65792	59214.59134
2.05_684.1233m/z	684.1233252	2.054766667	neg													26207.40056	30585.00385	28596.30413	29465.38845	27051.11011	23464.31017	29969.27187	24011.26611	21271.5899	24585.39425	26532.64647	23201.04945	32638.66633	29963.84242	28682.63531	27206.85984	29688.96916	30932.57367	31854.24803
2.05_691.1580m/z	691.1580277	2.054766667	neg													4034.463167	4325.813431	4988.30637	4272.395845	4882.991664	5055.998536	4060.53462	3618.627719	3165.20009	4778.202475	6343.178057	5091.808366	3509.149954	4474.490096	3913.018462	4003.436461	2782.781941	4070.002173	6004.472199
2.05_725.2543m/z	725.2543262	2.054766667	neg													11433.8294	13300.34472	9406.186972	10613.28705	12446.65598	14575.14658	12550.29423	9222.161412	6483.327217	10501.0992	11168.91045	11778.39329	11940.06354	11297.08623	14627.17589	7937.827685	12007.24146	11532.55286	16012.749
2.05_727.1046m/z	727.1045942	2.054766667	neg													2988.27826	2582.558604	2387.024588	1704.302002	2391.917199	929.2450589	1691.696605	1669.670275	326.2234129	2593.989396	2737.710319	2560.89773	3066.338433	2108.274733	2073.549973	2868.302417	2999.870371	2974.530429	1701.348836
2.05_729.1204m/z	729.1203623	2.054766667	neg													3777.707276	3168.71813	3048.313019	3227.7743	2037.082165	1729.227366	2509.297873	2407.539112	2776.378377	3380.393962	2247.112455	2536.087104	3030.207863	3871.596976	3139.209218	2458.061299	3206.429712	3702.979133	3305.301102
2.05_735.2097m/z	735.2097104	2.054766667	neg													14211.33051	13781.58476	10308.87769	14698.21884	13713.86842	13070.04863	13873.11925	11817.52252	8540.242245	12185.17152	11881.74209	13732.4024	14412.32706	14854.19891	13389.69727	11553.33608	14438.83175	15538.69177	21229.13541
2.05_742.1557m/z	742.1557167	2.054766667	neg													14892.91938	20436.42884	18562.09986	18899.20921	16788.14501	15533.0012	21262.63292	15758.94482	15871.83414	16839.98653	19378.15818	16498.58885	19198.28541	20871.36772	18098.56061	17378.03877	20531.9649	19694.00935	18885.12923
2.05_752.1106m/z	752.1106296	2.054766667	neg													11711.61688	14708.69911	14872.42295	14230.42848	11563.65269	9948.516762	14411.55504	12574.11808	11910.3664	14431.73146	14287.95777	12495.77719	13951.2826	15669.68346	14327.94224	14078.67028	15198.75704	13336.09511	16044.04936
2.05_780.2071m/z	780.2070894	2.054766667	neg													7126.986735	8354.792923	9141.763019	7596.475785	8023.838345	8332.972846	7889.096489	7049.119328	4142.596395	9349.680004	7569.213247	6392.162169	8889.346195	9997.794145	7141.922936	7302.404813	7246.566677	8167.337362	12634.32027
2.05_793.2415m/z	793.2415005	2.054766667	neg													25601.14007	31567.80616	26122.0069	27507.88545	26954.69612	27865.49936	32073.19785	22772.90322	19448.32214	28103.66073	29517.57801	24663.55632	30551.43432	32203.0393	30167.12593	25747.71933	31112.97118	27755.7824	37500.44717
2.05_803.1972m/z	803.1971817	2.054766667	neg													21218.80522	25270.6127	20995.00063	22971.9578	21751.45975	19335.37928	23204.82234	17082.19688	17792.21673	25068.90406	24579.53958	19407.66426	26769.58128	26989.84655	23584.22224	24720.30942	27748.86013	23050.74393	32943.40196
2.05_871.1841m/z	871.1840504	2.054766667	neg													11738.06941	15344.70688	14992.81808	16253.36279	9449.086092	11403.46622	14069.77899	11837.52915	9434.088489	12593.34989	12049.33805	12566.86513	16730.35848	13198.80286	11633.20892	13919.8369	16024.13019	14888.95079	17152.73114
2.05_980.3023m/z	980.3023036	2.054766667	neg													10535.18019	12254.15025	15522.10748	11928.86766	12384.16686	10856.67774	12806.51187	9676.173452	7911.926254	11565.42524	11532.29927	9958.307794	12408.76077	13619.46746	14979.89499	14174.67031	12803.4768	11713.30409	21221.71065
2.05_990.2574m/z	990.2574175	2.054766667	neg													11586.88992	10731.74143	8867.811241	10965.84594	11475.84614	9658.437062	12523.50896	8213.172564	5227.12379	10860.60831	11617.71531	9334.533039	11658.66449	15408.42797	9286.507742	10583.89922	11654.57532	9848.017892	16597.66172
2.06_101.0394n	119.0732242	2.057533333	pos													6017.046731	6461.621831	5685.812679	5642.78242	5423.747512	4662.142141	5366.557416	5052.43588	3616.613481	6257.478908	5508.754146	5841.069336	6059.583319	6561.808075	6283.760438	6315.849355	6601.686555	6014.868319	6325.912834
2.06_102.0472n	120.0808094	2.057533333	pos													2141026.172	2377978.319	2155039.216	2380767.441	2229420.659	1937748.562	1969350.167	1905266.991	1679351.159	2088255.574	2103903.541	2322502.686	2405657.8	2442882.593	2559081.39	2389705.836	2390803.751	2348642.783	2713530.724
2.06_104.0615m/z	104.061527	2.057533333	pos													1482.695726	1338.024953	1319.236308	1359.055686	1086.239393	988.974516	1596.796019	1416.21123	1342.599059	1103.625199	1032.590704	2282.425194	1456.241053	1604.376396	1916.686095	1864.223991	1631.647794	1682.395166	1601.571136
2.06_121.0840m/z	121.0840207	2.057533333	pos													172246.5116	191219.1378	171616.9717	186627.8822	182829.4747	154995.4894	160460.6538	154220.6416	133623.9605	168253.1566	170606.497	186258.7226	195643.0892	193499.5261	208347.2803	190723.7571	187203.1491	185032.2069	217203.9235
2.06_122.0874m/z	122.0874383	2.057533333	pos													6159.052377	6228.607927	5970.9618	6509.735944	6117.643562	5557.107576	5439.337466	5436.782912	5015.376487	5853.182759	6143.783381	6926.886617	6417.117355	7752.793567	7031.975939	6122.584361	6074.676727	6061.059142	8106.999093
2.06_166.0165m/z	166.0165269	2.057533333	pos													12592.32921	16141.02582	13369.44286	16229.31787	14846.02393	14284.60404	12928.52553	12917.59092	12574.67087	13082.10212	13779.17681	16160.60791	14538.99227	14933.69822	19837.74576	14570.05822	18482.6283	16969.07523	18154.84951
2.06_166.1554m/z	166.1554462	2.057533333	pos													16293.41825	18483.42139	15401.05133	16060.23618	15313.61304	12511.04485	14061.01407	13314.68154	10074.69376	15534.92378	15206.61561	16777.26519	18434.9231	17761.21468	17133.87656	16071.36301	16505.25777	17876.61078	19109.01753
2.06_168.0920m/z	168.0920288	2.057533333	pos													54680.97049	60477.99344	53211.43125	57273.35161	55218.03447	49726.14735	49658.38605	48148.32052	41152.90868	48761.40171	51638.46299	59079.89299	60096.51964	59238.77222	64094.98871	62647.32573	57016.19944	58273.50602	65523.89046
2.06_187.0606n	188.0678575	2.057533333	pos													180398.7499	215001.1193	192804.8215	215750.3059	183524.5622	175048.5374	177124.7279	166406.7923	144661.812	172628.9989	183491.7305	193649.0933	198311.3227	225280.0404	233166.404	228089.4912	221766.6506	208589.8834	272316.2664
2.06_266.0106m/z	266.0105782	2.057533333	pos													44433.34922	44245.32461	44400.13185	50946.10844	44347.71809	41175.81732	41891.44624	38744.06282	34873.42544	42157.5715	43633.10884	45025.89237	48189.67422	45953.82573	51754.39684	49924.97858	44524.91692	47801.97869	50871.7616
2.06_549.1552n	550.1624457	2.057533333	pos													51461.30356	40896.85534	53760.5078	47613.39754	54822.15807	40177.67667	43881.34179	31584.89479	24427.1141	49500.00646	42727.9559	46902.02593	58826.34609	52969.17827	53906.63948	45098.6701	47289.66836	51383.56795	65286.53595
2.06_584.1701m/z	584.1701113	2.057533333	pos													11771.27658	19313.06232	17792.01108	18603.83495	17445.88207	9251.310705	9843.077347	15452.36101	9754.745118	14423.85225	17415.03215	17121.97986	13149.38294	21214.4958	12319.18071	14342.84959	10877.92549	13997.56202	25327.66709
2.06_781.1860m/z	781.1859915	2.057533333	pos													24120.83727	19347.26317	23835.17515	29993.87116	4566.099761	17587.10174	23058.56679	0.000297236	6113.193395	16346.61737	10935.01239	24550.17232	15833.76881	10593.77369	27547.23411	17572.66934	14769.84937	14522.13991	22386.53857
2.08_284.0723m/z	284.0723325	2.075433333	neg													898.0153534	643.2767854	861.6311332	486.5123553	749.0043795	816.8721625	977.0548532	488.8962573	346.0405661	551.1808205	364.9234641	421.957482	696.602396	903.1169267	603.3994353	485.3013243	1016.874188	1008.020005	560.5910201
2.08_287.9924m/z	287.9924474	2.076766667	pos													6113.291588	5090.757455	6688.017268	6542.270341	5086.08128	5078.102005	6356.257513	7487.255065	5146.510006	6920.271171	6652.804692	7741.521722	8320.990983	4564.922701	6112.209843	10183.25383	6002.547585	6380.124101	7364.633597
2.08_294.0296m/z	294.0295643	2.075433333	neg													2453.989597	2889.799924	2848.962605	2778.860139	2558.484498	2773.085257	2530.292696	2906.167429	2831.185666	2714.908207	2913.010871	2998.097224	3171.243974	2734.017629	2540.605885	2641.34844	2815.365268	2734.260721	2953.402003
2.08_308.0063m/z	308.006293	2.075433333	neg													4070.122191	3944.45313	4299.21611	3694.726715	3918.131922	3334.033798	3881.215144	3735.278162	3663.956391	3922.22065	3631.68983	3921.634089	4428.839035	3375.879087	4174.99279	4328.682184	3932.131755	3932.74436	3755.506882
2.08_310.0013n	354.9993492	2.075433333	neg													20166.82856	19302.34208	20259.88794	19807.14462	20421.98112	19952.3933	19739.68438	18332.11389	18108.81062	19381.24308	20763.01579	19258.75321	19860.77498	19828.10766	19273.36751	19737.63445	20840.94569	21744.69642	18311.31417
2.08_310.0018m/z	310.0017983	2.075433333	neg													74994.35828	70353.59612	72481.3466	70711.0857	73209.46057	69835.12148	74535.07326	67985.11729	66100.52056	68690.8824	71234.27739	69448.24964	72892.89716	73136.21377	71393.78802	74637.19634	74629.61754	75637.16817	73333.3003
2.08_318.0094m/z	318.0093611	2.075433333	neg													2354.957695	1954.761782	2412.276371	1560.345483	2503.872632	1639.000749	2876.159399	1569.153737	1849.772604	1583.766566	1772.491144	1924.611352	2357.302414	2151.980388	1995.232047	2105.86169	2677.064836	2220.03692	1628.185963
2.08_326.9919m/z	326.9919477	2.075433333	neg													4646.536888	4419.912313	4051.862252	5234.629192	3973.828059	4616.67599	4722.958449	4315.938186	4094.117418	4401.687177	4509.777116	4065.482146	4394.448756	4183.502875	4559.697749	4272.374229	5123.890481	4760.17771	4433.609201
2.08_333.9568m/z	333.9568355	2.075433333	neg													1684.408257	1137.615738	1064.683751	996.7157061	1527.703507	2233.051534	1532.398832	1360.376168	1625.364802	1253.820051	1543.106892	1563.082838	1452.455887	1959.327766	1805.492148	1717.146278	1588.058384	1712.434614	1051.47486
2.08_334.9571m/z	334.9570774	2.075433333	neg													5600.336519	5812.088089	5816.921025	6455.730735	6432.421693	6980.081567	7353.53983	5984.012279	6344.853544	6097.095798	6471.166638	5995.57377	6697.819775	6058.069361	5848.599689	7286.31229	6046.931843	6875.876022	5405.047756
2.08_344.0724m/z	344.0723706	2.075433333	neg													3362.784721	3266.222177	3402.053101	3645.932584	2782.056128	3588.716124	3600.120115	3091.600293	2540.922115	3310.585386	3330.937603	3301.414674	3208.323582	3564.836748	3832.332444	2978.552252	3507.903266	3637.338357	3814.701241
2.08_360.0020m/z	360.0019991	2.075433333	neg													4648.236569	4438.07981	5179.774787	5156.370921	4711.302971	5042.660519	5384.873535	4492.745818	4606.080256	5074.063835	4814.592097	4012.808237	5048.35433	4508.522038	3803.305184	5164.521125	5379.450378	5637.355991	4982.97889
2.08_368.0336m/z	368.0336119	2.075433333	neg													110022.2937	118158.3316	124915.4516	123143.3181	120906.2123	112988.226	124959.6886	113873.7391	117207.2268	119730.3688	125297.1434	105732.7132	115918.3481	115036.7469	115487.6682	119490.9083	121767.2595	124367.1717	118544.7146
2.08_377.9891m/z	377.9891226	2.075433333	neg													50792.25511	47186.3872	48934.88684	49466.60262	49644.80638	48107.48711	50550.38277	55173.95402	48665.21238	49425.99383	48522.95126	46209.50461	48642.66066	45584.43674	45687.25151	48525.44845	49095.86541	51807.37551	47044.45135
2.08_418.9923m/z	418.9922803	2.075433333	neg													3972.673111	3552.679894	3783.269203	2282.622514	3100.117638	3553.312437	3880.14616	2681.80556	2437.836222	2795.054455	3014.873795	2610.652729	3593.780189	3682.768539	3133.184634	3434.002913	4102.240516	4336.286863	3119.606962
2.08_420.0057m/z	420.0056617	2.075433333	neg													2900.223728	4178.658982	4308.738358	4470.435388	3738.817258	3551.966424	4341.180765	3452.444581	2956.610848	3079.555743	4192.940967	3553.440448	4364.436917	4046.070252	4276.236387	4514.616759	4660.135673	5150.793984	4403.70827
2.08_420.9715m/z	420.9714942	2.075433333	neg													5730.38433	7362.66442	7042.403144	7693.187493	6756.314488	7014.130813	7943.117651	7602.903451	8632.471831	7309.094362	7624.987888	6334.956807	5944.761531	7007.516193	6135.451483	7250.478743	6432.951387	6876.142276	6994.172278
2.08_422.9870m/z	422.9870298	2.075433333	neg													8465.245035	9081.523787	8942.437703	8926.786948	8204.139743	9791.408876	8418.107939	8424.544224	8604.873838	9074.689889	9572.082506	8257.238295	8029.032187	7854.829147	8262.732121	8576.895673	9176.97776	9315.019834	7875.979329
2.08_429.0745n	474.0727722	2.075433333	neg													49928.48933	47226.69102	50077.1948	46479.65265	44944.39983	45906.65917	51091.04257	40519.56709	37849.20265	44154.37906	46007.5655	40415.75844	47833.33624	48445.27714	46393.85477	47307.52902	51720.22718	52180.65573	47082.10368
2.08_442.9823m/z	442.982301	2.075433333	neg													2706.810481	2446.697351	2070.959189	2828.000377	2560.730489	2802.551013	2570.890193	2467.213081	2816.147315	2177.964274	2502.199676	2177.217623	2319.73688	1941.455307	1995.111557	2995.147598	2567.527213	2323.827451	1527.315919
2.08_555.0210m/z	555.0209945	2.075433333	neg													4999.901515	3576.864969	4677.228356	3234.599336	3811.495308	4460.302206	4303.118408	3001.312024	3376.714111	4056.8855	3704.350281	3501.037283	4134.474328	4400.244684	4742.872264	3508.468821	5291.546318	5032.010126	3637.411536
2.08_572.0850m/z	572.0849528	2.075433333	neg													6136.913229	8174.471052	7717.718159	7509.834978	7440.964319	7695.92039	6504.348156	6845.390773	7128.774955	6463.725085	8389.140848	6611.049898	8085.303641	7044.663316	6605.496845	6440.848807	7877.909185	7477.394681	7905.015195
2.08_610.0476m/z	610.0475695	2.075433333	neg													5030.574004	5723.890945	5559.645782	4996.824202	4858.449985	4372.017858	4040.909773	5476.181468	5404.841353	5614.678875	5814.243257	4836.40583	6390.532411	4771.238683	5630.529105	5473.92802	5515.337312	5923.230033	4513.912102
2.08_623.0820m/z	623.0820323	2.075433333	neg													15979.5377	19675.89038	17676.14557	19409.88908	17765.62877	17384.77137	19742.09721	17072.40914	17695.44723	18784.83854	18754.53993	17914.00053	15713.66136	16093.81735	17003.17799	19103.30035	19488.76763	17228.16306	14270.71425
2.08_623.1702m/z	623.170234	2.075433333	neg													1301.18233	1367.951907	1065.508133	0.000297236	744.5961147	2025.415809	2196.08392	428.114404	1510.438467	1029.845494	1709.355458	1883.181961	1370.837713	1678.527973	1639.300452	757.2050482	1710.995519	523.701636	409.7203108
2.08_633.0374m/z	633.0374321	2.075433333	neg													13360.02328	14364.3535	16451.95924	14014.00401	13995.19792	15034.20084	14379.8172	15342.72159	14306.95247	13368.62897	16055.87237	15344.75476	14633.54937	14357.33641	14053.48456	14489.30794	15706.57923	15887.45616	14108.75854
2.08_691.0691m/z	691.0690591	2.075433333	neg													7034.554461	6767.57526	7899.739849	7200.356566	5946.866077	8766.318224	7330.538646	7532.692555	7588.096816	7518.853938	7398.079625	7295.112	7669.747928	6597.830901	5963.054042	6905.20243	8750.663472	8485.912868	6490.997511
2.08_701.0247m/z	701.0247335	2.075433333	neg													6380.484634	7478.419946	8749.865279	7119.25206	6665.326538	7213.876854	7429.079143	6765.825627	8491.685709	8009.048845	7862.72547	7536.600607	7177.169276	7401.109329	6749.775866	7426.72444	9206.591137	7310.612015	5664.875626
2.08_810.1425m/z	810.1425382	2.075433333	neg													4202.658425	7326.101654	6873.646241	7794.852738	6203.581362	4676.261894	7147.931199	6675.519759	5879.813727	5294.407231	6957.839179	4074.743454	6887.672043	7274.07321	4223.477815	7993.568023	7418.492416	6902.11862	3893.961226
2.10_121.9425m/z	121.9425111	2.097366667	neg													743.3658184	850.6288747	900.5423695	844.1354121	775.2717192	800.8785278	941.7889237	812.057968	832.1186983	896.2943675	917.7050666	730.2956666	869.705297	794.7697019	859.1040868	852.6548036	784.1554867	854.1066857	767.8241365
2.10_190.8873m/z	190.8872803	2.097366667	neg													3298.511149	3329.072722	3283.295288	3274.230259	3422.736783	3516.987128	3665.304606	3569.619126	3543.368775	3348.915049	3517.19576	2926.494392	3340.206613	3322.826167	3081.644714	3411.142725	3364.995468	3476.714436	3576.1072
2.10_192.0325m/z	192.0325013	2.097366667	neg													4444.163025	3755.659013	4642.951844	4008.448022	3817.480178	6011.220178	5990.480789	4553.862693	4292.019941	5409.264424	3424.559293	2829.693991	5369.423291	4659.758454	5019.126202	3797.20937	5229.608215	3107.877598	4397.948001
2.10_204.0167m/z	204.0167029	2.097366667	neg													279.419457	209.1882466	204.2708063	196.7728707	172.7918321	227.1337647	296.9158296	316.5894334	222.5993312	207.4009369	181.6889025	195.5952037	256.2911156	185.0106373	138.4043996	280.9918665	167.4471599	251.5661843	260.4068522
2.10_260.0207m/z	260.0207481	2.097366667	neg													823.6146657	783.9289358	890.2080448	731.8671426	791.971819	1261.105414	1280.481451	912.6401807	875.8666625	1047.108044	783.224202	456.6860635	1084.102448	1006.579214	1240.588889	776.6642588	1121.790489	568.7382414	896.0376192
2.10_301.9699m/z	301.9698678	2.097366667	neg													3057.740205	2367.454606	2457.604121	2185.744842	2548.030268	2512.850232	2980.879583	2598.738915	2675.130933	2442.662723	2527.209233	2709.525914	2882.504147	2252.200015	2626.755454	2494.560733	2914.899293	2665.875316	2715.096384
2.10_367.9604m/z	367.9603682	2.097366667	neg													6163.958408	6037.216488	6975.058736	5654.005095	6093.107173	6615.194841	6314.230851	5895.89647	6609.578851	5678.469369	6060.658125	5652.116872	6556.030383	6101.316934	6270.769937	6414.850281	6028.207522	6757.488821	6347.57034
2.10_406.1617m/z	406.1617184	2.097366667	neg													1166.737472	1422.160421	838.7578888	1191.212268	662.0875837	639.1226184	984.3526806	723.7456576	1686.441773	425.7555434	1217.646465	1624.539277	1153.928249	1352.422368	986.8406917	529.6730733	611.2525408	1044.42878	2252.59355
2.10_425.9926m/z	425.992579	2.097366667	neg													8530.193105	10043.33455	10272.52268	9716.76805	9313.274641	9941.293952	10841.32516	9554.406575	9748.286634	8926.609273	10198.60285	8322.534005	10611.69297	9817.63134	9197.836636	10491.26214	9653.901368	10397.85749	8121.957142
2.10_435.9477m/z	435.9476794	2.097366667	neg													4987.291273	5353.940861	5261.111887	4653.24442	4993.460981	5831.963444	5917.585819	4385.161647	5397.664971	5842.674249	5049.784048	4912.234547	5094.228936	4859.731721	5219.689311	5878.239212	4928.25089	6086.06708	4100.836506
2.10_436.0211m/z	436.0210915	2.097366667	neg													41379.19995	47369.31053	49169.36153	47681.85213	48109.78462	47510.35792	51520.80302	47388.5356	48038.69435	47710.97211	51066.11609	43252.79755	46259.26906	43960.13685	44732.93779	49048.22176	48254.00705	48733.57524	45455.61747
2.10_445.9765m/z	445.9765398	2.097366667	neg													33434.64978	31968.65769	33328.57986	32117.25333	34923.06922	33082.60196	35084.49669	37192.04223	35630.95646	35139.93635	33108.35224	31385.30105	35129.4456	33153.61379	32489.92321	33585.10223	33382.63817	34675.92334	31316.34068
2.10_462.9667m/z	462.9667218	2.097366667	neg													2030.314305	2042.033893	2103.470459	1766.395428	2523.366507	2673.394602	2170.500747	2120.366923	1627.032141	1768.322895	2057.447693	2085.15502	2446.003888	1873.153957	2164.169049	2396.236681	1795.031493	2521.780025	1270.255199
2.10_488.9588m/z	488.9588126	2.097366667	neg													2214.417618	3049.186156	2264.986118	2215.427678	2259.186962	2480.201589	2792.312059	2427.267054	2909.963377	3060.77554	2270.651502	2048.754319	1954.414602	2723.785453	2063.764437	2629.589111	2936.519849	2128.720467	2101.489343
2.10_490.9744m/z	490.9743653	2.097366667	neg													6245.656964	6851.651962	6345.530349	6341.278372	5715.228093	7189.687218	7375.711452	6399.926267	6803.47104	6120.055236	6122.962587	5985.426098	6506.115761	6953.362338	5912.642282	7073.967483	5361.162175	7491.611283	5943.933413
2.10_503.9356m/z	503.9356453	2.097366667	neg													2049.771695	2327.588062	2458.469292	2446.937884	2464.889427	2619.004898	2221.170851	2908.977728	2749.895402	2370.895092	2710.051169	2582.354651	2702.614731	1760.96945	2551.155365	2539.366451	2588.069456	2599.598478	2393.046435
2.10_513.9639m/z	513.9639383	2.097366667	neg													24092.69123	22760.47958	22840.63866	21964.03006	23381.23054	24365.90402	23898.70609	24131.44035	24806.40827	23856.51181	24007.98859	23135.56651	23263.01439	22203.8641	22284.79198	22493.52233	23257.62967	25627.77108	21211.14561
2.10_520.9990m/z	520.99901	2.097366667	neg													1820.05688	1708.420517	2437.167227	2299.859784	2719.936885	2780.96043	1880.014011	2487.415523	2345.459522	2676.274577	2492.855712	2271.765223	1898.78027	2215.966634	2227.74893	2698.111912	1814.987962	1897.971326	1717.950739
2.10_556.9458m/z	556.9457858	2.097366667	neg													926.4244311	733.7491277	1266.073085	1396.03578	917.1984409	944.462937	1525.892446	1173.157941	1339.756114	641.0945735	1032.656965	611.3268553	1174.571401	719.6165355	807.0517572	1662.977115	1394.208613	2062.388104	927.2724977
2.10_558.9619m/z	558.9619065	2.097366667	neg													1942.204214	1051.380513	1691.304878	1341.208465	1322.069374	1650.605435	2052.551008	1936.388614	1089.822886	1569.173829	1068.2	1146.629355	1832.10282	1830.396341	1249.609409	1206.347932	1692.48266	2242.316758	1398.287123
2.10_571.9228m/z	571.922781	2.097366667	neg													972.7662454	1189.31627	907.6254263	1092.130227	1306.251287	1324.128288	863.9073321	924.006665	739.1708938	1215.543798	1303.706	1132.309133	1249.087377	1151.843455	1328.229996	717.7857466	1025.64702	1270.01495	1227.405204
2.10_571.9958m/z	571.9958327	2.097366667	neg													9813.480645	11989.42762	12193.87128	11043.3704	12663.49254	12626.86422	13100.26663	11939.79034	13804.99122	13025.15592	13937.06279	11433.11745	12245.48559	10870.27589	11163.39758	12824.78634	11237.65694	14400.66125	11808.36207
2.10_581.9516m/z	581.9515765	2.097366667	neg													11565.81261	10427.887	11826.81263	11834.89028	12147.90947	11792.96665	12313.12864	10582.39509	13322.44931	9776.099956	11193.97037	10993.94456	12954.00871	10009.20683	11665.01262	12531.99443	11078.67959	11587.80477	11297.78769
2.10_639.9834m/z	639.9833712	2.097366667	neg													5022.701186	6182.743839	5507.072933	6231.193342	7240.201053	6698.363512	6928.719167	6696.81092	6732.595648	7152.976256	6947.625348	6432.796006	5937.604441	4794.306701	7501.800538	7780.597074	5662.340653	6479.37441	6477.218129
2.10_649.9391m/z	649.9391042	2.097366667	neg													6060.705681	6370.433243	5995.171247	5325.722987	5915.66451	6815.667232	6937.367457	7329.939376	7329.703815	5899.870769	6378.385611	5723.438725	6680.01021	6188.728669	6049.633356	5945.826696	6466.777548	6818.641282	5873.430037
2.10_707.9709m/z	707.9708688	2.097366667	neg													2727.496859	2716.652445	2576.09111	2899.674075	3299.822814	3545.710929	3602.06621	3199.379461	3309.98513	2387.804155	3273.861119	2805.191169	3011.826533	2442.303866	2998.878831	2973.505862	2388.170519	4024.69317	3486.609843
2.10_717.9265m/z	717.9265115	2.097366667	neg													3187.425727	3185.783967	3039.987297	3970.662851	4451.358921	4235.495979	2957.479064	4412.580269	3829.640682	3300.197951	3365.908984	3511.929652	3251.348654	3782.945841	3318.584854	3776.039492	2956.576111	3153.256484	2784.778374
2.10_759.0566m/z	759.0565987	2.097366667	neg													3255.543228	3079.193571	3217.281165	2687.852222	4652.208109	4098.443629	3108.502842	2665.672452	2935.225121	3582.809364	3442.26818	3058.622997	3292.276066	2045.95251	2346.521608	3925.995797	3580.966167	4727.894054	1901.130372
2.10_769.0123m/z	769.0122975	2.097366667	neg													4385.020728	3525.050133	3963.556549	3410.048223	4155.356681	4216.609609	2879.144552	1913.424112	3731.860783	4155.18173	4295.824958	3881.334463	3046.958822	3430.357843	3851.103894	4044.441493	4511.168529	5534.034382	2004.026026
2.12_167.0702m/z	167.0701873	2.119316667	neg													143.7851628	173.6230686	129.2509099	168.9882658	177.7215273	135.7236837	100.3417611	54.88258116	79.1626241	170.3195102	129.7782917	164.7526883	91.39005643	128.4135434	194.0165588	182.0748589	158.4908036	137.0642391	169.3434022
2.12_168.0132m/z	168.0132385	2.117283333	pos													3054.320788	3312.211012	2993.950516	4286.063919	3805.21678	3865.44173	3168.930714	3111.397742	3445.584558	4104.449622	3594.374388	3729.559639	2729.987778	2610.899314	2704.090867	2685.956496	2644.192375	2578.055546	2727.696632
2.12_202.0324m/z	202.0323662	2.119316667	neg													273.1350646	433.2338329	267.4867687	420.7890617	336.9840873	390.9539397	169.4506141	613.6903415	556.2780453	366.4841658	500.1506414	424.6224616	306.8349488	274.1945681	302.0945856	242.7816224	305.6250776	249.064218	332.3853728
2.12_234.1334m/z	234.1333958	2.117283333	pos													3044.564501	2542.033347	2918.850896	3134.878028	3158.802687	3289.378303	3079.198342	3353.15241	3184.341867	3531.909203	3444.886461	2943.113381	3442.124923	3843.947325	3603.970593	2976.581933	2961.247073	2556.700155	3157.478499
2.12_377.0577m/z	377.0576626	2.119316667	neg													1147.457537	1276.216245	1127.068451	1408.321987	575.5688041	671.9194399	1232.535222	1232.791743	2523.086998	764.1075715	1902.413221	2325.66261	1144.100419	1561.291191	1274.215086	876.2701546	644.9341863	1133.919636	1651.856679
2.14_117.0542m/z	117.0541654	2.140316667	neg													3582.89703	3551.433869	3494.909167	3778.230267	2790.41534	2992.500821	3194.799464	4496.619267	4432.802436	3119.448512	3818.705267	3845.220822	3497.917959	3777.727776	3299.810964	2719.056334	3248.04494	3306.041161	3065.90431
2.14_184.8886m/z	184.8886414	2.140316667	neg													1284.987015	1247.21196	1313.035963	1351.477842	1349.787679	1311.581708	1527.457149	1406.149237	1404.215285	1425.984021	1406.603428	1168.677902	1269.868838	1236.150894	1279.334754	1369.527328	1352.202405	1352.532218	1225.805799
2.14_185.0419m/z	185.041913	2.140316667	neg													1731.522606	1862.64193	1959.739404	1959.495963	1199.450016	1491.981292	1699.146148	2651.390886	2780.609093	1566.38677	2073.393923	1951.434284	1863.380576	1981.452182	1525.387823	1032.765202	1676.028663	1532.229594	1444.684773
2.14_214.0034m/z	214.0033785	2.13775	pos													2324.306976	3005.706263	2193.416649	3208.563113	2775.045138	2427.45633	2305.865787	2422.198173	2826.562755	2974.154278	2689.827192	2900.44313	2406.791786	2763.156152	2848.718738	2520.71253	2522.807084	2336.394394	2459.801581
2.14_253.0302m/z	253.0302273	2.140316667	neg													899.8707652	938.6232529	902.8897887	960.6492331	609.5724548	724.885571	763.7723317	1446.813672	1421.185559	757.1206949	1004.341813	907.6872107	797.6898393	921.9354797	719.5380679	464.1193608	742.2471978	605.3498474	655.9296528
2.14_331.0017m/z	331.0016965	2.13775	pos													1966.238584	1754.940407	1525.396294	2734.212431	2631.964246	2505.202491	2642.663601	2925.578494	3279.551226	2166.811593	3233.226137	1908.529508	1959.272096	2405.705717	2382.788265	2090.397263	2378.180709	2231.301274	2467.984492
2.14_502.2333m/z	502.2333265	2.13775	pos													3020.081187	2546.908059	2677.241475	2210.939566	1338.668936	3802.358726	3262.846072	1308.336473	1265.77126	3371.88095	2578.159079	2258.435032	6402.914387	2840.838593	1497.076929	2994.008611	1767.612911	3659.590527	3093.941789
2.16_139.9821m/z	139.9821119	2.15675	pos													95565.09608	81462.72962	94034.43754	89461.27555	82282.89349	89376.96279	93950.4916	95751.19751	90320.5038	92019.22923	96845.94013	85637.30085	90226.3876	95066.37566	100417.4905	102061.4045	97844.32691	99915.11771	92501.08332
2.16_183.9819m/z	183.9818853	2.15675	pos													2355.919171	2297.33505	2479.719042	2322.199675	2250.028673	2110.463951	2558.778485	2300.514851	2466.701964	2597.241115	2583.851666	2833.426078	2576.984428	2434.26772	2633.251573	2927.751809	2344.566441	2581.173058	2289.356042
2.16_221.9022m/z	221.9022213	2.161833333	neg													1055.024686	909.3502905	1122.18404	971.3617796	1049.527527	1010.633932	1156.374069	1084.456805	1056.630525	995.2781616	1281.185838	1088.157049	969.6053834	1058.358624	975.2308054	1182.249263	975.1492466	1050.060072	741.0502766
2.16_275.9060m/z	275.9060025	2.161833333	neg													20735.37631	19627.72993	19384.00934	20673.38053	19590.77368	20453.74124	20623.26343	20365.81917	19775.73292	21281.30906	21602.4831	19578.08984	19917.90238	20187.62617	20753.96072	21324.22712	19921.86406	19962.13457	19750.12891
2.16_300.9318m/z	300.931817	2.161833333	neg													15399.05412	17475.96124	17471.23605	18331.8155	16425.6255	17586.97635	17989.8818	18134.29201	16380.75386	17953.28671	18723.13573	16083.43798	17091.99583	16956.9941	17772.5719	18376.64792	17348.81915	17964.86897	16687.9414
2.16_330.1439m/z	330.143879	2.15675	pos													1504.255116	1187.889251	1508.29084	1197.814759	1417.978076	579.4457954	960.9721416	2223.518212	2278.093005	839.057305	564.1593766	2441.481655	930.9929241	956.0258184	1088.383185	1561.350203	1149.071834	1232.631058	892.2737776
2.16_332.1462m/z	332.1462204	2.161833333	neg													943.1232182	1105.439846	1099.962805	574.5238993	1221.582935	1567.824185	1042.121609	3044.964859	2347.379221	1592.836548	648.1481505	814.2409677	794.4016445	770.9991983	722.8742297	441.0078878	669.2769172	367.6497463	580.1690501
2.16_332.8688m/z	332.8687936	2.161833333	neg													42944.38656	39518.14592	41129.58202	43098.6083	40332.252	40842.49719	42656.56374	41010.82376	37918.67157	40790.18735	44033.16388	39632.16482	42598.09282	42258.51193	42937.22965	45202.08941	42162.82829	44485.77065	39750.16947
2.16_410.8646m/z	410.8645845	2.161833333	neg													1174.394846	1109.924834	1078.818304	1256.795919	1023.323374	1139.115689	964.9335156	1018.488283	1199.692637	1235.209372	1284.487732	1170.479282	1409.782558	1087.008834	1214.67436	1095.995976	972.7307638	1078.301733	998.5840004
2.16_462.0995m/z	462.099498	2.161833333	neg													3886.684677	4518.817893	4021.943816	4363.948847	3920.095495	3057.690679	3148.112072	6308.426339	6673.05545	3763.621679	4053.297581	5289.385536	3189.920793	3957.16021	3493.171043	3439.518226	3144.86778	3501.423159	3845.483242
2.16_502.4840m/z	502.4839604	2.15675	pos													1560.221426	1068.149725	1028.939821	685.6356655	936.1239786	1668.886677	1132.12468	793.2692224	0.000297236	1260.452031	1060.516307	0.000297236	2951.615215	1894.693357	2172.912555	781.1043221	886.5376293	1799.427619	1380.528583
2.16_507.8760m/z	507.8759725	2.161833333	neg													2522.721582	2576.631133	2108.131271	2296.175191	2516.384468	2703.835506	2085.992009	2633.216731	2242.294041	3024.537908	2939.208045	2380.063419	2665.277632	2293.162397	2562.553496	2919.04177	2361.668098	2609.327848	2263.034479
2.16_540.8211m/z	540.8211087	2.161833333	neg													44653.11783	38253.61843	38949.74911	39747.85752	38495.34803	37946.23896	43570.04214	40012.20074	38807.52603	40363.35451	43452.04791	39554.32283	41034.32762	40990.83758	42261.44348	42310.33453	38837.61862	39765.7037	39389.36954
2.18_105.0339m/z	105.0338879	2.17695	pos													975.8626521	858.341499	892.2817019	1005.229753	920.1119629	935.7122924	912.4107256	951.5623613	1028.93014	1044.708383	1034.871245	871.6911549	865.4002817	1144.862969	921.3403823	843.0854187	873.0687524	922.9630918	905.5464708
2.18_120.0237m/z	120.0237239	2.17695	pos													86471.91972	79997.36021	83106.33903	85860.96749	80932.03588	82607.34958	85579.72385	83886.162	83351.25271	84255.01357	88338.42894	89248.87779	84515.33825	87332.19635	92600.81974	91265.95934	85557.83649	86844.04753	80883.95251
2.18_142.9666m/z	142.9665761	2.17695	pos													9263.747992	7738.655872	9635.020185	9729.380071	8269.982355	9092.306976	8922.277705	8883.384775	9033.193128	9659.717495	9930.9622	8660.977135	9045.657511	9860.616898	10306.26259	10127.27738	9603.772575	10046.09793	8673.717694
2.18_163.9275m/z	163.9275291	2.18245	neg													2038.768042	1882.981804	1880.953583	2136.261688	1988.841746	2096.869052	2112.065431	2095.813814	2067.522339	2085.612988	2259.554861	2035.840741	2059.623188	2011.818222	2082.359391	2256.750752	1924.512971	2094.474358	1951.685006
2.18_176.9718m/z	176.971767	2.17695	pos													28512.55951	33527.14437	31742.95255	30633.82844	28196.31785	28972.70089	28600.6559	28951.26589	26643.14887	29580.17324	30476.85238	32316.20848	33485.70105	34894.87211	33808.70224	34888.46908	33250.56219	34187.50521	30417.94563
2.18_244.8879m/z	244.8879269	2.18245	neg													884.6296441	1036.812541	927.456589	1202.307601	1126.925934	1157.27239	1248.719907	815.3071661	1102.625057	1224.56502	1403.569818	1036.963439	1121.986134	1055.063885	1132.936392	1044.550309	920.8296716	1316.2393	793.4176562
2.18_276.8964m/z	276.8964372	2.17695	pos													58813.28471	57344.21628	60572.69211	61346.56706	58419.49171	57135.36624	58553.46083	56376.66439	53462.11651	59783.72541	62172.35488	61111.03939	63194.33849	64007.59338	63862.91187	71681.20948	60607.35813	64788.45477	57965.30234
2.18_307.8559m/z	307.8559093	2.18245	neg													40306.8083	35219.11249	36092.83317	37902.18556	36239.68182	36143.17078	38759.14478	35771.49808	34838.10697	37408.4951	38174.16375	36333.46616	36865.10143	37477.97571	37779.36372	38810.01534	36610.19291	38124.99685	35150.63432
2.18_341.8900m/z	341.8900105	2.18245	neg													1596.04417	1755.856422	1588.754715	1671.232324	1680.071081	1750.017132	2040.114535	1796.855493	1726.601139	1880.219465	1786.580788	1640.102666	1681.820837	1479.4433	1831.96689	1680.742362	1477.121358	1826.224283	1541.200281
2.18_488.8281m/z	488.828119	2.18245	neg													7289.097309	6106.082952	7435.479225	6833.943444	6189.974347	7004.60662	8649.895461	7195.204415	6300.135957	6285.457612	6799.014097	8001.885483	7747.907327	6808.623548	7154.655051	8608.469257	7472.652981	7091.954272	6687.629044
2.20_129.9514m/z	129.9514042	2.196466667	pos													394.1428014	254.1381385	334.5013185	550.6387119	411.2361825	343.2607573	346.0177269	503.8707222	239.6039177	376.4958325	659.1074749	417.7333346	420.4863603	298.6162409	386.1676316	480.807859	432.2346749	531.3087814	476.2563658
2.20_162.0477m/z	162.0477155	2.203583333	neg													94.75019391	80.85054227	134.2247132	200.9984741	258.9405747	65.66868759	105.1329467	61.24795638	203.3251198	124.5458615	102.8188543	208.8849793	208.4900719	35.87054871	141.5397837	138.7982496	126.75552	144.1228433	206.2759271
2.20_264.9143m/z	264.914303	2.203583333	neg													1118.565845	1223.392831	1092.599109	1256.45308	1167.995711	1257.310682	1256.089572	1040.366354	1196.956734	1349.924694	1151.748664	1057.568834	1123.287357	1157.165034	1288.626703	1290.305393	1275.584438	1276.006894	1222.697982
2.20_304.8935m/z	304.8935366	2.196466667	pos													13615.43952	14245.89864	14580.32322	14223.04586	14010.4844	14046.35036	14711.7798	14138.45875	11633.4244	14289.52457	15441.14219	13542.95761	14571.35053	16524.88259	15641.28729	16794.54925	15132.04491	14560.56486	13032.11459
2.20_312.8845m/z	312.8845187	2.203583333	neg													7741.704746	7771.701109	8193.341962	8330.312623	8191.343298	8531.350771	8158.950875	7307.26634	7216.202269	7948.189465	9186.015414	7400.579194	7673.768172	8243.565764	8651.367683	8681.137609	8048.853113	8513.64683	8359.852556
2.20_336.8585m/z	336.8585379	2.203583333	neg													11558.66436	9493.275805	9748.170298	10053.93931	9670.915546	9504.143268	10820.84201	9562.625324	9332.779913	9760.56267	10473.50021	9500.460841	10248.80748	9528.818616	9869.594131	10294.4604	10031.90392	10410.00021	9373.934633
2.20_375.8430m/z	375.8430338	2.203583333	neg													32382.93155	28691.08177	29414.84772	29724.98913	28477.1411	29483.21388	31929.75941	28266.94013	28834.67711	30197.31486	32136.62282	28487.47534	30396.02473	29846.20361	29743.71398	31152.04887	29121.57604	30496.40557	29036.91437
2.20_511.8181m/z	511.8180886	2.203583333	neg													54933.3852	48240.78567	49583.13103	50227.968	48148.49998	48522.40902	54681.59138	47087.63494	44993.43218	48638.50319	53808.53368	48000.82348	50097.85222	50513.62146	50690.72541	54069.45168	50114.25181	49998.85323	47452.24352
2.20_535.7223m/z	535.7223202	2.196466667	pos													870.9928438	1528.197081	1368.297836	565.1167583	1612.634778	736.8186287	0.000297236	1804.327037	2781.825471	811.8974259	304.01943	3706.792573	287.0507981	351.8515117	924.4830714	414.2651633	1139.101895	1232.563315	1054.662356
2.22_235.9596m/z	235.9596392	2.21525	pos													4622.97651	4769.295461	4755.147165	5441.365926	4681.841844	4911.636762	5058.596791	4255.214749	4037.907425	5301.537177	4349.085812	5767.819237	6840.166068	6302.991978	6040.800919	6389.612938	5836.574821	5148.18716	5345.214811
2.22_240.6078m/z	240.6077618	2.21525	pos													3997.428221	3951.9095	3433.125886	4308.197576	4634.81607	2419.483996	4201.222101	1322.363886	1987.401116	2098.593544	4509.616725	8458.679284	4216.981826	3219.215724	3652.025461	3400.559945	3650.0351	4461.547229	3324.554383
2.22_243.9774m/z	243.9774454	2.21525	pos													9593.942679	10783.1232	9769.836899	10004.80437	9176.426459	9771.216545	9649.930416	9197.6786	8911.806472	9446.648519	10335.17929	11001.06473	10735.59824	11528.52665	10436.51246	11558.17869	10400.20114	10996.8076	9578.993974
2.22_304.1551m/z	304.155147	2.21525	pos													1491.84352	1493.629772	996.8889832	1238.093515	1971.768382	1798.507697	1556.271626	280.2407645	511.3819593	1902.126442	1143.120952	0.000297236	1429.270872	1002.395965	1977.963628	1689.742393	1929.02016	1843.958407	1967.02624
2.22_304.4895m/z	304.4895107	2.21525	pos													622.6706801	711.5272753	509.9309177	623.3253834	1127.689129	835.5632433	637.6018369	203.1255272	114.1188102	663.3659077	627.1731659	111.7937333	434.3847855	237.1975415	488.272457	464.4720802	600.6579326	662.2246879	809.5704017
2.22_519.7420m/z	519.7419924	2.21525	pos													4543.889614	5292.460834	3638.363946	4156.68827	6749.704617	6435.723008	5928.38432	2753.381363	2141.563269	7371.08068	4256.239686	1172.622337	10167.51146	7398.486247	5742.429497	4529.147517	4268.90371	5045.550328	5359.360336
2.22_519.9928m/z	519.9927919	2.21525	pos													4749.204631	5107.415476	4509.48177	4561.533838	8032.712276	7095.920054	7396.218218	3185.061556	1194.21856	7365.692251	5166.301045	1635.616333	9064.835077	6402.452463	4499.682795	5465.641682	6241.503311	3761.688766	4450.782556
2.22_520.2434m/z	520.2433602	2.21525	pos													3326.975429	2106.901109	2510.866649	2052.110776	4430.766324	3250.217703	3125.780953	1649.636987	625.2270722	4671.686907	3846.610445	301.6916801	4204.368956	3528.624721	2578.354251	1900.971979	2432.626559	1770.98737	2142.471123
2.22_520.4938m/z	520.4938334	2.21525	pos													1081.539903	808.8203593	755.4211655	236.5510129	1872.345121	608.9552508	621.5880019	0.000297236	592.2242755	1446.830799	820.2119041	0.000297236	1420.099836	1296.378755	506.0059067	636.0412459	1035.644905	1353.681121	928.8741905
2.23_188.0918m/z	188.0917826	2.225233333	neg													874.4662714	804.0194553	845.3505669	940.8447106	887.8394716	757.2202783	825.2834672	1336.966571	1365.113145	625.7920004	630.374626	805.9096523	785.3320036	576.1208929	618.259284	617.9329228	801.5031861	903.6652807	818.1714837
2.23_204.9356m/z	204.9355685	2.225233333	neg													4848.307171	4681.25722	4632.411526	4693.42862	5049.606896	4704.606929	5208.882249	4830.55655	4547.048483	4847.283375	5042.95404	4308.554124	4615.833237	4991.014817	4935.603341	4983.270419	4807.716016	4873.619584	4763.872698
2.23_264.8812m/z	264.8811871	2.225233333	neg													9565.46044	8146.729468	8419.911205	9504.581728	8170.83305	8219.588875	9516.548435	8536.176527	8682.739578	8935.279926	9423.393262	7959.155598	8395.294033	8770.772905	8629.644797	9627.071518	8560.983176	8979.103661	7872.663978
2.24_149.9776m/z	149.9775886	2.235266667	pos													10285.44434	12054.53758	10571.56548	9755.284618	9545.716988	10326.81815	10946.04994	10458.97528	9900.993874	9874.385207	10347.84169	12257.05507	11290.19182	11550.29476	12452.73516	12480.10317	10914.14736	11108.72154	10014.04654
2.24_154.9669m/z	154.9668538	2.235266667	pos													34555.30402	33551.23978	35231.797	36356.7907	33264.42501	34229.04307	34922.96993	34148.76231	33088.68189	34788.38381	35446.09577	35920.52439	36056.94902	38131.03849	38174.41682	38963.09522	36626.26401	36949.98389	34335.32834
2.24_201.1484m/z	201.1483628	2.235266667	pos													1793.253204	2057.251851	2001.090978	1830.827051	1885.201394	1974.323739	1835.304306	2063.614388	1734.43808	1578.728604	1772.487902	2317.34269	1991.303531	1926.697024	1912.545621	2031.061043	1946.233191	2191.310568	1778.015482
2.25_107.9507m/z	107.950729	2.2544	pos													7926.219131	8606.150306	8219.910433	7872.127945	7190.806119	7689.582866	8389.957219	7575.596393	6885.985388	7798.298527	7979.368574	9189.2559	8875.243907	8699.080198	9158.622746	9778.998416	8321.889855	8826.611396	7474.271945
2.25_125.9863m/z	125.9863206	2.2544	pos													38053.96834	35751.67563	39093.22816	39326.11825	35919.36318	37726.71307	37538.73638	37311.53071	36486.35674	37030.17646	38905.78183	38946.79143	38352.5295	39632.74112	41510.51612	41048.27755	39236.07244	40358.0114	38045.56696
2.25_140.9512m/z	140.9512012	2.2544	pos													24121.59792	21265.99969	21813.20989	23062.35122	20976.20403	22055.70405	22054.9304	22310.10364	20028.34663	22082.02181	23362.96603	23169.3478	22544.58537	24392.08422	24057.81493	25902.16376	22187.05707	22898.17801	21461.05621
2.25_142.9059m/z	142.9059265	2.24635	neg													534.53488	607.3073827	581.7818376	641.4233508	630.1338709	583.2848084	565.4874654	624.4516807	605.2527503	693.0532359	648.3786224	547.3331814	540.3170574	539.9610558	537.6122737	608.5117319	517.1847336	573.0624426	534.3221862
2.25_170.8696m/z	170.8696275	2.24635	neg													4133.993064	3429.672689	3586.195053	3507.41793	3680.868143	3832.868358	3743.11397	3963.042594	3818.085968	3792.090191	3569.840548	3580.223742	3734.121384	3497.079146	3697.058031	3727.850318	3568.331611	3677.41706	3425.917312
2.25_197.8888m/z	197.8888465	2.24635	neg													2475.391796	1970.086753	2227.625321	2165.434544	2235.064964	2298.66526	2352.743557	2436.609967	2194.322461	2273.077004	2255.41645	2258.96812	2296.995617	2206.443769	2251.883761	2194.03335	2216.274571	2196.637099	2055.306876
2.25_248.8869m/z	248.8868609	2.24635	neg													22613.39487	20133.35588	21281.64045	21881.93439	20290.84364	20694.78599	22766.68237	20222.55898	20307.70637	21106.1267	22121.3575	20259.08968	20869.09664	20940.30215	21299.51797	22126.23276	21252.43734	22522.40149	20058.65318
2.25_255.2680m/z	255.2679619	2.2544	pos													23684.63943	20571.67279	21851.29747	22818.22918	20840.36038	22329.21336	23148.07405	23403.93676	22760.59787	22774.63794	23783.99096	22571.10798	21421.81107	21633.26861	21926.58625	23292.01029	21720.92292	22804.31309	21407.57116
2.25_289.8904m/z	289.8903589	2.24635	neg													1692.016632	1452.721904	1538.673042	1770.662767	1650.28773	1610.143293	1274.626848	1723.431846	1383.322928	1639.138341	1789.245077	1414.651574	1694.504881	1486.282318	1502.543936	1498.056523	1696.715001	1674.113838	1490.793626
2.25_393.1417m/z	393.1416674	2.24635	neg													271.9067051	341.3424394	240.2123451	279.001788	569.7276532	296.6903372	342.1108967	453.8654668	178.1901671	410.6208312	210.5559911	53.3864857	370.4541853	355.8873751	429.1466255	306.4456593	349.3726566	223.8315316	279.6149408
2.25_401.8520m/z	401.8519795	2.24635	neg													6706.988403	6241.595251	6320.020858	6416.824631	6240.210234	6447.803606	7168.615597	6103.637714	6254.436239	5969.405668	6724.876319	6085.915767	6477.443191	6467.048746	6352.000209	6416.941418	6236.778529	6443.156626	5825.194273
2.25_424.1202m/z	424.1202157	2.24635	neg													2057.255065	2208.718686	2297.436645	1097.192014	2438.926512	4606.120942	829.2223014	8278.933115	6262.239627	2550.317084	1082.20464	1062.262925	1342.898532	834.3770518	1018.269455	1056.426355	885.5932967	1135.648107	1026.279928
2.25_443.8306m/z	443.8305723	2.24635	neg													45274.0562	41188.48964	41771.69022	42480.99913	40916.97816	42808.65717	46661.19548	40390.31282	40088.45765	43497.46205	45852.6464	39984.56246	44333.39175	44326.1447	44427.92876	43798.45698	42119.16782	42490.71971	40446.21857
2.25_472.8334m/z	472.8333752	2.24635	neg													54438.99452	44194.19533	47400.57259	48130.00586	45687.24484	47662.62483	51461.16096	47536.29306	46722.23402	48483.26143	50895.78564	47834.55186	48797.21143	47706.57048	49715.4972	50354.13204	48250.8454	48122.48999	45541.61415
2.27_121.9425m/z	121.9425315	2.267433333	neg													547.8411797	575.4338931	611.021353	604.1719448	568.5977529	615.8926326	568.007974	579.9529201	549.4561125	590.6804523	620.4310706	495.7630072	570.6680485	524.4715167	585.3101684	550.3882843	508.9522134	575.4520993	542.851132
2.27_131.9669m/z	131.9669494	2.2732	pos													973.7954944	966.1985748	1053.264753	1061.117368	471.1425615	763.2478587	859.8535203	452.8334766	1172.360248	1169.530079	1534.067511	820.7049173	1068.118379	1011.904076	1170.078749	1570.515812	1207.548544	922.2046585	1331.588295
2.27_276.1803m/z	276.1803329	2.2732	pos													9513.573167	9864.833914	9076.795576	5866.599469	9451.452068	15965.33554	6317.197562	15506.77778	18674.60991	10638.92246	7261.946468	10998.33489	6903.374233	7757.828527	7494.344044	6638.282339	7608.070783	5693.367812	7185.27625
2.27_332.9220m/z	332.9220262	2.267433333	neg													6190.608599	6735.778136	6704.741426	6954.214138	6713.135516	6992.660099	6950.209449	6794.903986	7104.294945	7291.908323	7712.746425	6094.508643	6548.33125	5959.111747	6703.591768	6602.785869	6721.788508	6664.543304	6943.787873
2.29_104.9265m/z	104.9264701	2.288683333	neg													374.0432197	382.1243726	405.8045869	391.6846591	372.4190013	368.6798204	398.0741911	335.328434	370.0828357	437.3408268	400.0597998	375.514296	392.1690763	372.9664471	384.1883144	393.3674055	399.1283769	383.2864634	339.2834346
2.29_116.0701m/z	116.0701395	2.288683333	neg													618.3111262	861.5877175	874.7694012	901.1414991	871.035349	858.0227873	823.270718	746.1519222	713.114126	871.1902755	818.8867002	610.0355915	739.0970335	797.860636	748.7228313	764.7314166	830.1233298	847.0890237	1020.167304
2.29_118.9428m/z	118.9427558	2.292833333	pos													3427.642134	3408.588294	3719.985443	3919.606111	3345.6792	3307.634462	3624.912788	3458.760398	2513.421082	3609.729673	3351.645181	4052.499797	3530.872404	4000.095658	3789.440979	3888.47225	3464.057725	3811.265455	3113.610287
2.29_156.9660m/z	156.9659677	2.292833333	pos													4060.850346	4316.91123	4076.497592	4149.378338	3912.143342	4029.029227	4118.674234	3721.105781	3981.977256	4133.06663	3966.565505	4208.364836	4125.510304	4426.045099	4351.66514	4630.105517	4297.313027	4300.682943	4078.988761
2.29_188.9784m/z	188.9783762	2.292833333	pos													7053.908537	10219.41197	7599.142781	7716.997753	7489.26655	7726.140609	7403.789143	7837.488417	7304.215321	7029.826911	7508.17084	9000.2627	8759.713234	8660.519064	8316.642928	9025.650078	8384.730945	8386.322322	7786.723048
2.29_199.8985m/z	199.8984817	2.288683333	neg													4338.306316	4533.451242	4421.02791	4581.188943	4481.732449	4461.811565	4464.192448	4423.729045	4354.261469	4428.920158	4899.333957	3904.282137	4387.630458	4246.138249	4476.233225	4592.991099	4463.154931	4534.932555	4221.770493
2.29_199.9275m/z	199.9275358	2.292833333	pos													5550.981277	6474.326797	5719.388263	5945.718822	5483.380247	5483.275696	5637.937672	5552.607037	4842.788623	5700.783792	5467.895543	6147.441233	5941.122747	6094.149676	6186.890586	6350.874932	6416.935363	5720.597806	5705.664498
2.29_366.5388m/z	366.5387952	2.292833333	pos													1587.047858	1635.66101	1938.92833	2278.771743	2194.425599	880.2328308	1768.929603	1837.034736	1980.102454	1453.89334	2485.847891	1592.41507	2383.023604	2217.208711	958.7305097	897.3671777	963.2257846	1876.367355	2163.704733
2.29_467.0658m/z	467.0657803	2.288683333	neg													1750.627456	1717.554924	1873.224485	1671.320831	2153.786996	2199.055966	2015.503512	2021.139941	2464.930872	2457.060743	1841.685576	2180.767405	2030.826137	1677.01744	1737.828719	1118.024622	1592.251005	1612.884231	1950.993793
2.29_526.8755m/z	526.8754694	2.288683333	neg													3378.708861	4344.272633	4283.975853	4795.605312	3798.338865	4274.524293	4612.323263	2566.473886	3575.358784	4456.18846	4932.220156	3529.9927	5137.177296	4600.58215	4567.871422	4766.074379	4190.180268	3871.01428	4086.639306
2.31_105.0338m/z	105.0338268	2.3126	pos													1854.896626	1618.096099	1765.69071	1645.524166	1552.130791	1689.894789	1671.96396	1727.215712	1615.310085	1726.413192	1861.207481	1615.867262	1642.855154	1607.941302	1777.310536	1713.945349	1591.553396	1643.590217	1588.332525
2.31_111.0532m/z	111.0531527	2.3126	pos													2127.723752	2283.675427	2199.637283	2396.038784	2049.458641	2137.69118	2212.912723	2162.823385	1677.239734	2182.682406	2026.214673	2235.791897	2041.734438	1785.482925	2166.466674	2229.543559	2138.85515	2273.113591	2025.762656
2.31_144.0653m/z	144.0652672	2.309933333	neg													24862.23614	25449.72086	25709.4831	11663.14081	40277.81111	16647.49717	14027.00956	69377.45412	48004.51406	18730.87794	14745.60197	19475.02393	20395.69302	26886.39151	22947.66692	20068.2249	28003.22115	19811.84736	18392.84817
2.31_187.9992m/z	187.9991565	2.3126	pos													2440.958452	2658.784262	2425.713659	2440.711534	2402.988411	2050.506375	2379.573256	2149.689396	1706.514426	2546.599537	2779.485411	2131.805166	2491.792756	2565.139812	2819.827903	3031.222468	2787.005208	2749.886809	2173.54365
2.31_202.0243m/z	202.0242939	2.309933333	neg													1114.707812	1090.743557	1196.167782	390.1358677	1911.587571	732.8139763	659.2962766	3164.752071	2249.996842	791.3121993	650.4348335	878.8491066	914.314334	1333.816703	993.1548678	923.7781532	1274.527889	861.0685342	729.6554084
2.31_212.0532m/z	212.0532017	2.309933333	neg													13098.03856	13696.03191	13349.83335	5629.668439	22030.14634	8991.658087	7536.392774	37697.24122	26303.73127	10026.69638	7653.887274	10643.2595	10763.20588	14589.47497	12430.30361	10697.64228	15265.89705	10285.94742	9715.521056
2.31_220.0642m/z	220.0642085	2.309933333	neg													350.3085204	345.8220479	339.7920907	306.9797659	548.0944978	539.5160222	256.9703634	972.3563366	568.5816283	546.7750466	216.9592474	544.0744144	282.0322037	264.1873451	238.5475362	237.283455	220.9689978	200.4753002	228.5714555
2.31_224.8029m/z	224.8028703	2.309933333	neg													2647.101118	2804.711335	2929.709653	3326.962475	2829.209483	2841.172124	3245.405992	2937.737466	2977.467925	2879.410801	3047.368281	2725.296708	2854.555092	2706.417623	3089.963576	3389.668583	3026.586225	3052.983712	2708.076748
2.31_236.9067m/z	236.9067067	2.3126	pos													5648.059388	5794.833455	6402.749481	5803.543161	5859.332266	6691.025084	6184.904858	5868.97497	4455.604173	5876.103491	6557.349016	5851.866254	6240.013998	6109.2442	6575.770421	6831.497354	6243.59951	6792.194113	5030.033087
2.31_273.9031m/z	273.9030747	2.309933333	neg													2980.019251	3293.371526	3389.828982	3221.02585	3285.967719	3175.546846	3411.046304	3090.602898	3355.66297	3270.425078	3356.043894	3188.647324	3114.141819	3337.162217	3234.265813	3043.294715	3409.042198	3234.722757	3124.538043
2.31_280.0413m/z	280.0413013	2.309933333	neg													6606.897711	6756.007741	6682.13121	2992.376439	11074.06888	4365.283702	3876.347144	19557.91951	13519.5648	5287.9895	4144.762864	5474.803354	5313.034704	7443.450311	6223.334382	5437.684579	7618.736853	5319.515487	4766.109961
2.31_285.0957n	286.1030203	2.3126	pos													9535.879962	9979.664642	9311.721556	8958.806078	11268.90582	8851.37062	8060.596218	16333.72842	14253.2679	7347.995271	7304.002784	17764.44394	8624.085413	8565.462134	7948.760775	7327.304467	7633.367418	8939.21349	7525.396526
2.31_289.9969m/z	289.9968669	2.309933333	neg													1369.462494	1239.681871	1066.571538	550.5653176	1935.525616	834.4934511	612.1170501	3458.256541	2298.850742	708.5335248	712.6209545	1055.953287	1069.716759	1455.024016	1090.483806	886.4280352	1471.327929	981.4025184	743.2288778
2.31_297.0313m/z	297.0313395	2.309933333	neg													647.4360716	706.9825888	579.8591428	311.5347226	1091.452747	528.2184093	366.3758364	1987.835055	1430.402174	532.3894106	418.6075721	583.1688786	584.5325129	676.4127922	650.2254947	493.0630433	821.1409577	453.6556948	554.9905646
2.31_309.2033m/z	309.2033158	2.3126	pos													53814.37327	51525.55021	50109.58331	51112.90918	49585.70388	54659.32662	53348.33321	50853.85328	49357.36658	52155.16572	54502.0938	55336.60239	51165.83858	50430.83855	52690.09967	55042.55938	50383.80841	53370.7849	47374.86538
2.31_312.1321n	293.1142926	2.309933333	neg													2567.312832	2613.781258	2507.395032	1608.554856	4038.029922	2185.891988	4206.628498	3170.551161	2030.991667	3483.689219	2555.710035	813.7768059	3716.159404	3927.813437	3525.084281	3000.618433	3256.459628	1842.122831	3227.293036
2.31_332.0983n	331.0909759	2.309933333	neg													6047.104805	6541.883798	6447.896382	6098.664332	7617.847173	8051.711005	6646.395268	7978.949379	7782.498343	8269.740519	5603.096457	6888.439612	6470.751279	6437.222767	5991.603618	5389.954029	5691.97582	5493.066108	6975.49743
2.31_338.0001m/z	338.0000526	2.309933333	neg													597.3484368	733.1950516	623.9425553	166.0799925	1161.122063	347.2755508	315.3797361	1903.987524	1341.34935	623.0852342	352.2888885	524.0533959	551.9288255	668.5606137	619.3618018	476.2330134	756.2224622	375.362812	481.8057335
2.31_348.0287m/z	348.0287467	2.309933333	neg													4884.770404	5180.569873	4971.149319	2074.517396	8295.023532	3534.483038	2948.880752	14627.59143	9992.470875	3721.983726	3008.092544	4359.915471	4310.602091	5488.406347	4915.142297	3798.7566	6028.565453	4160.523619	3983.003032
2.31_352.0763m/z	352.0762903	2.309933333	neg													637.5779476	822.5684847	825.9164295	688.5392252	1039.213243	755.1735368	793.1619266	1290.752626	944.2340735	688.6271968	610.3534961	1643.475639	696.9569308	737.6333758	630.7247249	582.7806054	568.9412228	794.7630621	656.9207148
2.31_357.9842m/z	357.9842384	2.309933333	neg													1757.323562	1593.358729	1429.132912	752.1591011	2487.620856	813.4263547	810.7750521	5008.261633	3228.17752	1286.746934	836.8079877	1273.734677	1441.85259	1817.968476	1502.332711	1195.816054	1955.048791	1267.697905	1295.290279
2.31_380.9735n	379.9661882	2.309933333	neg													1730.402962	1643.068542	1469.866839	342.5395172	2495.06387	974.9848959	774.9532095	4938.929008	2968.552662	1108.690912	494.1822427	1366.026303	1132.055226	1905.409265	1352.30879	1069.580357	1803.069603	1037.119471	1197.74657
2.31_399.0784m/z	399.0783756	2.309933333	neg													3341.426663	3434.26668	3579.129643	3295.928748	4137.396638	3831.656511	3807.475251	3938.691088	4126.742694	4201.159577	3107.109748	3952.52825	3775.380038	3504.356192	3287.466108	3273.133429	3281.649601	3116.124941	3740.133184
2.31_416.0163m/z	416.0163002	2.309933333	neg													3692.79433	3689.817894	3256.81464	1345.088563	6074.111274	2297.77114	2155.867997	10287.83161	6730.495278	2835.018495	2239.832871	3054.008363	2886.898447	3888.617105	3271.004684	2460.958832	4225.985523	2872.582291	2531.025572
2.31_430.8623m/z	430.8622837	2.309933333	neg													3860.87519	4168.150762	3951.346122	3640.412961	3835.6207	4144.076449	3826.165983	4069.078896	3991.93012	4253.406314	3884.760159	4037.163612	4147.503684	3957.6649	3991.692244	3789.323972	4109.170181	3910.67426	3956.683229
2.31_484.0036m/z	484.0036492	2.309933333	neg													1992.018751	2192.701477	2033.245182	1002.243744	4205.55731	1270.878274	1239.472794	7119.018086	4872.695663	1860.469908	1348.169751	1832.264658	1612.002546	2438.981857	2008.107835	1515.676569	2497.783056	1905.579976	1656.27378
2.31_493.9593m/z	493.9592782	2.309933333	neg													1396.490429	1270.009669	1218.879196	428.2859611	2403.018474	857.4130262	697.8045882	4168.92401	2366.736624	800.1094906	821.4095775	1025.851969	990.3070526	1553.930986	1186.402602	816.5532544	1540.973786	957.7631529	1067.496146
2.31_579.8060m/z	579.8060047	2.309933333	neg													15344.1548	15187.90613	14866.94004	15044.86293	12666.44193	15245.63325	16064.29643	14389.79651	15130.43234	15390.16941	16682.98568	13771.3925	15921.86556	14820.71541	14517.33445	16398.18696	14709.28045	14750.04493	14910.88474
2.33_179.0339m/z	179.0338919	2.330883333	neg													1584.412549	1358.74803	1588.032866	1440.800272	1136.478783	1210.913983	1065.086019	2354.182765	2302.67724	1140.572016	1100.028589	2155.949392	1170.397243	1078.847137	1399.221038	1395.528024	1209.459582	1411.980635	1285.263605
2.33_188.1153m/z	188.1153217	2.33315	pos													708.3988141	767.7796428	926.8321456	786.8878415	673.4520897	1426.621892	746.7948141	1042.542527	730.1759434	1141.795901	681.7142552	724.0371174	530.9517872	516.9947331	491.1698143	645.9011271	777.1985365	537.3625071	592.7362295
2.33_203.1276m/z	203.1276294	2.33315	pos													1567.855952	1692.702327	1534.266027	1625.012769	1348.550016	1764.907049	1512.125477	1975.573505	1995.189673	1608.029364	1294.325191	2014.652046	1548.919852	1339.183711	1419.019687	1774.881826	1612.9144	1563.408634	1535.220589
2.33_346.9584m/z	346.9584476	2.330883333	neg													1408.634607	1288.179567	1449.906496	1426.067871	1642.296366	1424.519909	1428.674174	1845.421481	1666.385105	1325.795162	1560.367569	1360.591178	1643.520751	1589.472959	1392.572875	1465.190503	1570.537926	1636.525396	1617.779192
2.33_362.0858m/z	362.0858158	2.330883333	neg													6572.864071	6851.38286	7267.479736	8535.804475	6503.326734	17736.03293	4187.789209	11380.65071	12150.06717	8566.985367	6287.449345	7599.467394	6104.372734	4226.544874	4362.464024	5625.404189	3182.422073	4782.342775	3636.17829
2.33_392.8460m/z	392.8459964	2.330883333	neg													6617.609344	4673.868367	5377.036074	5346.974717	5203.754623	4711.117449	5863.172621	4934.256498	4951.18084	5123.431582	5799.927833	4861.70572	5251.661807	5424.195156	5330.525222	5317.096982	5246.771785	5561.186032	4884.664531
2.33_430.0730m/z	430.0729663	2.330883333	neg													2983.478007	3240.380556	2912.90823	3526.938203	2684.637559	8075.700789	1775.357858	4951.211933	5705.130502	3722.701034	2666.172182	3326.902443	2525.263524	1680.50756	2018.28027	2166.669015	1580.270465	2264.324246	1605.877841
2.33_492.9104m/z	492.910426	2.33315	pos													2775.433128	2478.810984	3130.391786	4840.251097	3957.388203	2408.37499	2322.567389	9239.026821	5419.763949	3051.507626	3358.162029	5820.686602	2026.392114	1991.647608	1463.651506	2218.511019	1786.95714	2399.62339	1497.466764
2.33_498.0605m/z	498.0605404	2.330883333	neg													1007.748877	1092.684337	1059.568268	1599.693096	690.1978804	3256.377057	652.8815215	1754.667615	2119.580847	1522.611852	819.1007823	967.6524599	989.6829316	486.3556003	765.8655462	667.0316141	390.2215958	717.3825365	537.8641379
2.33_507.8760m/z	507.8759853	2.330883333	neg													2932.637757	3344.825281	3030.073928	3543.02743	3215.321499	3051.58804	3343.42948	2870.002443	2764.917264	3295.823879	3651.930407	3032.797291	2759.563981	3102.864125	3126.211296	2797.303516	3005.39899	3190.218079	2826.501165
2.33_676.7960m/z	676.7960489	2.330883333	neg													12026.94848	11436.96465	10262.5267	11634.64933	10732.06574	11713.80491	12383.82622	11658.80494	10658.03499	11197.12455	11707.50287	11662.18095	11139.86566	10859.98676	11832.71141	12536.17318	10572.8488	10705.35467	10829.50483
2.35_125.9642m/z	125.9641816	2.351833333	pos													10783.45809	9808.243836	11051.55032	10583.05184	10330.08316	10365.80732	10476.70356	10074.83832	9841.271904	10747.20471	10895.4254	11118.74151	10742.8007	11365.33383	11834.46438	12211.16715	10570.23359	11687.49425	10380.7179
2.35_135.9453m/z	135.9452681	2.351833333	pos													1982.20188	2476.478459	2180.947653	2183.044566	2172.102805	2197.087209	2171.876528	2065.518279	2112.748559	2291.800744	2070.871249	2396.88962	2336.290624	1890.319342	2354.943506	2651.988331	2187.615372	2374.921069	2192.503911
2.35_137.9868m/z	137.9868031	2.351833333	pos													18246.2324	15906.08562	18891.24107	17747.5242	16586.44984	17112.19029	18470.25552	18241.75351	18308.42044	17980.18654	19550.12109	17670.6522	18469.62248	18893.96801	19811.78961	19865.37701	19134.60107	19608.27626	18113.07871
2.35_180.0878m/z	180.0878151	2.351833333	pos													5127.421503	4457.353002	4268.927177	4255.263976	4135.060023	6018.743624	4362.90831	3574.786416	3208.968552	6116.412317	5218.357432	3578.453335	4102.636316	3664.570851	3892.383204	4381.732295	3794.94751	4387.824033	4343.250176
2.35_181.9775m/z	181.9775325	2.351833333	pos													6866.264566	7237.744565	6226.579364	6284.523522	5897.949834	6345.40018	7120.599917	6667.577228	7167.572203	7397.815028	7674.446346	7699.497131	7837.299654	7057.915096	7415.491956	7154.700035	6234.863072	6448.135229	5946.950141
2.35_187.1077m/z	187.1077293	2.35245	neg													616.5707622	562.6296591	590.4480228	322.6065495	1116.892571	352.1213735	716.6227409	145.3639384	216.0117083	902.0907914	514.8473647	168.7205109	730.0110055	1146.944269	781.6693826	674.5607216	802.2149888	354.5327715	708.7129827
2.35_187.8599m/z	187.8599404	2.35245	neg													707.4280542	586.8120517	684.4690417	623.3032441	652.8757628	645.1973636	682.5864453	669.4181971	528.0256073	688.3445449	643.9045813	629.9212193	687.4531225	647.8259772	614.3307741	625.8186135	608.1254662	626.4136063	620.4104741
2.35_204.0327m/z	204.0327138	2.35245	neg													1049.889622	1112.658957	1044.828567	1516.015996	778.7591424	1051.895398	683.2581387	1591.515904	1424.384779	666.1676999	991.3379591	1808.69366	901.361087	862.3076434	950.125205	991.1718612	1249.539799	1365.563018	1254.522594
2.35_251.1640m/z	251.1639794	2.351833333	pos													24162.18337	23233.15188	22537.7404	23012.92218	21506.03378	23288.1107	22650.28473	22597.14131	21230.68229	23675.23564	25075.32955	24157.49068	23416.51734	23658.91554	24306.3295	23575.12048	22641.04283	22729.77372	22007.55425
2.35_285.9085m/z	285.9084704	2.35245	neg													22817.3766	22307.72031	21958.44396	22794.60218	21119.0138	22758.65169	23678.08802	22428.42079	21308.63608	22628.12058	23598.57217	20731.12482	22077.70013	22257.04016	22771.16564	24130.24177	21897.60575	23046.89839	20825.09512
2.35_404.8456m/z	404.8456483	2.35245	neg													2611.391045	2037.944709	2074.475124	2036.686508	1945.272261	2082.737304	2425.326887	2018.331414	2166.401609	2126.69677	2315.019243	1957.616679	2173.928875	2127.469262	2019.361212	2174.769227	2272.017527	2224.242301	1969.178001
2.35_493.2449m/z	493.2448823	2.351833333	pos													1563.596268	2598.85031	2511.935339	2211.169364	2489.097239	2374.939944	1236.08033	5861.43717	4742.106083	1645.840429	1222.386217	4686.323349	1897.062204	1816.802014	1561.687172	947.5981495	1679.728761	306.8865697	1633.976297
2.35_505.8601m/z	505.8600758	2.35245	neg													16120.73795	17924.40027	17199.63728	18400.06156	17368.00768	18292.50708	18600.63713	16855.5698	18946.12287	19240.72349	19549.19672	16788.76948	17527.82149	17752.38764	16901.91452	18257.24136	17029.02686	18574.49987	17300.20806
2.35_537.8267m/z	537.8267171	2.35245	neg													13857.9125	10877.42405	11136.05655	11464.58313	9933.00104	11721.4107	12786.74553	10555.21044	10354.16669	11878.33833	13068.73241	10156.51479	12197.38926	12153.59631	12991.68281	12470.04526	10085.61259	11149.73501	10831.83479
2.37_200.0111m/z	200.011128	2.373166667	neg													750.670818	581.7856198	783.3981824	660.7481315	649.4365949	631.4085993	679.0085488	717.2970663	546.1815788	629.1162906	630.2202124	640.2517843	750.783144	768.8424883	745.5785614	667.3937048	757.9366884	713.4077884	639.9064212
2.37_272.0210m/z	272.0209954	2.373166667	neg													1786.173495	1646.015572	1562.907021	2377.96131	716.4824934	1295.552847	688.8548779	2610.168762	2446.364732	593.6062154	1385.474307	3508.456596	1107.954908	736.364456	1330.16929	1294.172805	1653.253771	2390.126361	1953.590121
2.37_340.0083m/z	340.0082644	2.373166667	neg													637.3800427	912.0776292	829.5970831	1303.069982	300.0084318	780.1533189	375.4469676	1494.65427	1304.467325	334.7664225	782.0040427	1781.224302	381.2168642	442.3592198	658.4624731	603.7545547	827.262908	986.3418366	1101.444698
2.39_113.9606m/z	113.9606249	2.392566667	pos													1471.353756	1716.960711	1324.905173	1522.516561	1204.471398	1363.606935	1647.926266	1596.138482	1648.505897	2033.791113	1780.404177	1994.149406	1839.795891	2292.762854	2128.990819	2048.229487	1332.318084	1755.858456	1272.332034
2.39_124.0393m/z	124.0393255	2.392566667	pos													19977.01252	19115.68599	18717.18897	17867.02948	17654.66909	18463.09424	18592.00631	18427.96996	18222.49691	17864.74738	20259.43205	20298.93443	18770.28641	18101.39528	20172.00274	18936.58145	18523.73277	17254.68519	17078.61691
2.39_230.8808m/z	230.8807632	2.3943	neg													3533.693248	3742.911883	3487.98815	3609.479203	3413.27533	3608.892093	3462.359639	3852.140272	3931.321435	3752.233299	3881.815602	3290.509606	3236.591897	3131.370996	3524.76526	3596.070276	3407.480317	3342.911845	3409.482852
2.39_308.8641m/z	308.8640684	2.3943	neg													13491.18452	10804.1649	11549.11105	11702.29642	11539.02349	11517.74671	12400.27148	10844.37196	11240.03802	11335.71255	11449.15765	11699.86631	12096.34144	11599.30513	12237.51716	12435.26323	11303.77421	12104.72263	11402.7318
2.39_333.0704m/z	333.0703742	2.3943	neg													3132.722989	3732.041936	3821.456744	3178.244464	4321.610821	3691.847544	3202.198174	3315.755597	2863.294904	4891.791845	2910.892978	2111.279821	2770.812661	3669.083916	3987.633829	3913.776373	4480.966556	3230.391933	3163.486349
2.39_355.0523m/z	355.0522808	2.3943	neg													2090.265644	2407.081583	2321.966845	2042.163424	2667.024787	2440.389331	2241.12077	2042.531812	1754.111833	3319.834887	1731.569655	1512.359839	1905.207061	2233.39184	2321.583273	2287.047346	2749.115778	2288.895774	2216.25279
2.39_386.8593m/z	386.8592735	2.3943	neg													25761.69352	24455.55729	26212.23849	26407.69665	24712.12109	25314.29304	27595.50911	24224.78627	24211.41948	26881.12102	27949.1726	24142.96578	25984.39532	25414.59677	26636.28916	27326.16393	25464.92847	25632.03725	24702.4014
2.39_501.8631m/z	501.8631092	2.3943	neg													27583.94624	28895.33335	26961.039	27261.56491	27394.60359	28849.9154	31016.54552	28101.95695	28192.3144	29248.13624	33151.93469	25106.30179	28304.48982	27444.84371	28962.79329	28828.16259	27421.28473	29079.96204	26964.8084
2.39_656.8122m/z	656.8122482	2.3943	neg													2800.499477	2729.28868	2528.171249	2750.580554	3132.973834	2748.283177	2882.081244	2314.019124	2227.616611	2698.200984	2884.047439	2620.993441	2660.010897	2763.847674	2982.861356	3085.704858	3008.388415	2928.163448	3073.08212
2.41_146.9613m/z	146.9612596	2.412083333	pos													8553.372247	9202.304319	8373.719702	8388.677393	8187.075616	8122.127016	7868.364379	7626.240086	7656.662203	8008.335023	8501.414724	9332.043131	9300.601701	8907.310901	9076.167337	10039.72643	8304.307227	9031.021929	8134.871412
2.42_224.9623m/z	224.9622509	2.41595	neg													882.3055622	926.5222632	928.2754898	1004.627968	887.516099	940.5316519	924.9724272	1035.450938	926.0528994	1037.638033	1000.24784	925.6884397	878.8830953	816.5932663	908.5978769	961.1171845	897.0701541	804.016882	918.0624209
2.42_314.9324m/z	314.9324095	2.41595	neg													1230.134976	1428.151899	1421.792694	1410.444411	1438.740398	1400.881888	1476.768109	1611.25341	1339.614487	1325.592508	1792.687523	1492.507641	1244.769128	1350.204459	1523.865523	1444.832744	1560.473893	1503.164151	1325.368806
2.42_428.9614m/z	428.9613514	2.41595	neg													7889.265868	8867.603819	9410.802131	9378.032207	8704.006101	9171.688381	10869.59535	9173.276992	8785.566207	9639.414192	10756.24	8342.850521	9012.079099	9590.373796	9447.252032	9517.049898	9525.908613	9644.031535	8756.492932
2.42_608.8088m/z	608.808792	2.41595	neg													30582.01204	26649.62215	27488.40196	26759.43394	25888.72491	29012.06995	30043.41895	26378.07331	26935.10588	29654.52428	29699.25644	26362.76098	27555.55265	27575.50407	27622.85145	28318.86606	26516.92685	26703.57373	25078.98103
2.43_135.9453m/z	135.9453079	2.432183333	pos													2662.459237	2401.793584	2072.595366	2006.26644	2019.93119	1947.461806	2165.014114	1997.825199	1456.826885	1874.327034	2000.08777	2623.626072	2234.894917	2460.717986	2316.970518	2937.346628	2212.196296	2169.417995	2231.897741
2.44_131.0335m/z	131.0335385	2.437316667	neg													6964.434123	6846.307029	6849.619182	6635.153256	9263.233362	7864.476754	5444.065643	9368.43458	6984.475331	7439.394556	5046.243697	8523.093736	6556.836151	6102.917112	6659.294787	6428.778993	7109.745331	6661.203886	6045.097303
2.44_199.0214m/z	199.0214017	2.437316667	neg													1812.099521	1885.853502	1936.25257	1685.525225	2961.825154	2339.143836	1395.973607	2892.997593	2110.064065	2145.708752	1227.736284	2465.977885	1714.344393	1461.357579	1829.359937	1682.174912	2072.782024	1968.858572	1526.110754
2.44_221.0037m/z	221.0036563	2.437316667	neg													1258.791069	1389.651387	1319.987224	1227.640429	2276.908735	1669.800263	852.3206304	2175.306527	1266.762047	1469.654723	809.387229	1886.926552	1212.899421	1127.272687	1327.179646	1244.92763	1450.957939	1280.881766	1198.16858
2.44_227.8807m/z	227.8807496	2.437316667	neg													4281.499149	5283.022595	4769.947559	5193.269356	4676.11073	5046.891829	5703.825866	5926.161182	5448.923379	5275.072893	5463.767151	5335.065588	4872.678214	4510.009569	4635.03825	5601.764553	4952.497164	5141.330635	4705.854985
2.44_246.9445m/z	246.9444899	2.437316667	neg													2048.58496	1964.033221	1891.461171	1992.890063	1794.964196	1880.632778	2202.570226	1782.61269	2237.948479	1935.306624	2375.467336	1951.936369	2021.825016	1848.058864	1917.411714	1926.544013	2057.250022	2097.433443	1884.448882
2.44_288.9917m/z	288.9917131	2.437316667	neg													1232.383384	1492.952629	1363.726063	1135.065491	2021.350848	1705.318592	746.1446675	2100.807718	1415.608234	1658.020768	814.9920585	1842.910048	1180.992163	1207.437547	1184.997063	1016.903314	1545.848644	1177.646736	1106.769544
2.44_314.9001m/z	314.9001205	2.437316667	neg													5200.332805	5324.803827	5261.82575	612.9228647	551.4478014	685.7304206	622.4485197	37950.6332	39097.22441	617.4218878	574.6389909	11588.22385	596.9740331	616.7419272	565.7407819	632.9689274	602.1530646	696.4116684	504.3846803
2.44_318.8940m/z	318.8939578	2.437316667	neg													1153.584349	1414.789578	1374.987765	49.22709482	0.000297236	3.424895611	0.000297236	10990.43114	11108.82538	0.000297236	0.000297236	3091.562999	50.72858336	2.076288835	0.510507567	6.373533799	0.96282508	0.000297236	0.00230691
2.44_341.8899m/z	341.8898578	2.437316667	neg													6976.406442	7009.020815	6819.469847	7396.987081	6753.091807	6835.013855	7844.996884	6821.515488	6914.8836	7319.564623	8077.324158	6893.877213	7219.341274	7098.505964	6979.388361	7479.498107	7011.948836	7730.177889	6601.790806
2.45_251.0964m/z	251.0964213	2.450283333	pos													10304.54023	10338.85824	10373.08904	12302.31309	11738.88785	14652.22028	11740.06736	9318.522775	9600.077138	13977.45455	11725.74767	7384.179338	8387.869709	8761.563961	11121.92925	9453.413499	9960.986176	10227.87351	9541.048707
2.46_161.0806m/z	161.0806392	2.458216667	neg													727.0041989	778.8602386	681.1494427	531.8954137	618.811041	463.2266621	494.1795195	1450.093881	1647.982228	529.4212814	618.8202135	988.8073527	778.4752046	630.7217749	630.1040361	510.2186607	684.1054124	378.2654334	778.9468466
2.46_304.0123m/z	304.0123454	2.458216667	neg													372.7270787	303.9253381	273.7196015	0.144537205	45.67126259	0.000297236	0.000297236	1114.447219	2663.894174	35.70939379	0.000297236	1175.600566	0.382932916	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.930158554
2.46_311.0746m/z	311.0746277	2.458216667	neg													721.1331129	605.9938739	670.3755512	737.5252043	725.0392901	963.6488812	743.3996793	614.5222334	502.1645035	931.475339	557.6439181	339.7478724	505.0691769	599.8197128	513.1295981	617.1640316	655.6038329	596.0794395	610.3014209
2.46_322.9042m/z	322.9041907	2.458216667	neg													3018.422136	3480.072378	3107.953709	3249.374777	3316.56198	3302.162809	3956.84728	3113.395094	3274.069564	3414.564296	3803.361359	3278.082784	2977.751957	3037.379831	3411.106155	3510.492807	3278.031743	3349.059606	3194.116003
2.46_362.0443m/z	362.044349	2.458216667	neg													623.9997357	569.9379284	753.202813	32.04818716	22.20150193	54.68444057	142.7883649	2844.555388	6680.920534	0.000297236	0.000297236	2765.230179	21.80760161	39.66015484	0.000297236	43.03816299	39.77090037	96.40350598	0.000297236
2.46_432.0886m/z	432.0886367	2.458216667	neg													7629.356358	7428.897332	8118.581361	9403.00814	6697.646033	8168.764243	6018.623248	7035.367614	7454.507027	7017.058259	8114.77509	6730.350262	7550.156186	7373.197246	9256.726483	8750.558853	8019.985006	10025.55248	8620.476773
2.46_500.0764m/z	500.0763811	2.458216667	neg													3429.68556	3271.950835	3579.864044	4334.051222	3207.911066	3894.29451	2814.445211	3144.056451	3243.820028	3242.214578	3869.505681	3065.377794	3474.779563	3267.241923	3971.506745	4573.207411	3539.082563	4791.835295	4187.918557
2.47_250.0700n	251.0772358	2.469633333	pos													10269.56847	10865.34344	9754.431061	8175.025386	10016.94208	11968.79862	7973.71855	7443.594209	5696.014802	12810.7658	6229.147904	8511.974753	11652.93385	10069.77892	15509.22533	10048.63472	14446.9523	12285.98656	14823.09295
2.47_300.1335m/z	300.1334764	2.469633333	pos													2301.968571	2691.330144	2473.7379	3133.554497	2182.765806	2746.20508	1837.777794	1984.420404	2455.571258	1947.332305	2034.812428	2431.959671	2345.028781	1974.121822	3178.648883	2829.300121	2500.741875	3287.616342	2828.648765
2.48_116.0701m/z	116.0700764	2.47935	neg													242.0360776	357.3450444	391.5889246	363.3169578	392.11656	349.9416697	364.3304718	404.7782655	492.990791	348.2283247	384.9366475	376.0447059	310.9859888	307.1967626	342.0658682	322.2729766	332.5974699	380.8176741	363.7701789
2.48_158.0810m/z	158.0809775	2.47935	neg													6806.44513	6871.742253	7366.01391	1029.513818	1942.935601	2173.963904	1024.936463	20376.20921	50355.91476	2118.970297	1215.336052	23767.81862	1131.70879	1243.963504	1216.122323	961.295817	1884.684361	2031.155835	1081.451099
2.48_226.0690m/z	226.0689817	2.47935	neg													2227.366894	2511.650502	2423.705471	37.06420887	483.6634004	490.1783097	117.8077231	7513.894845	20534.5712	431.6583495	98.94562125	9484.572567	140.6242162	173.1502004	210.5322723	40.86234379	383.7307675	454.5451113	134.2160195
2.48_294.0572m/z	294.0571687	2.47935	neg													1111.089965	1232.28647	1197.154074	41.45370919	111.5946624	192.8509296	0.000297236	4318.185714	10659.85984	213.9347894	0.000297236	4805.148902	46.92345741	0.000297236	0.000297236	0.000297236	150.2959849	143.8399467	0.000297236
2.48_318.8712m/z	318.8712055	2.47935	neg													17751.20531	15736.01062	16824.18079	17510.9902	17001.37534	16271.03846	17281.18641	15300.864	15704.65567	17784.55656	18146.93165	15530.09299	16776.99496	16048.25237	17163.65769	17570.93699	17055.0193	17247.02788	16437.32518
2.48_444.8906m/z	444.8905727	2.47935	neg													7527.3413	8848.467854	9015.463152	8960.879012	8557.129569	9128.810117	9947.405033	9051.851208	8188.462878	9192.876134	9989.040432	7701.571136	8641.159763	8634.72212	9248.698495	9085.850361	8998.290271	8801.956679	8026.928694
2.49_132.9749m/z	132.974861	2.488916667	pos													6885.956245	7952.716711	7294.581138	7400.289211	7130.370387	7089.458827	6482.41002	7251.557537	6620.296528	6645.84069	7551.21403	8683.141669	7812.155699	8189.029585	8430.240965	8462.304669	7664.639397	8085.75048	7003.579956
2.49_236.9068m/z	236.9067672	2.488916667	pos													6203.306007	5286.03233	5209.114169	5078.481649	5280.907872	5148.669613	5392.456243	5339.415938	4034.202056	5403.189592	5298.793056	5731.072471	4867.333553	5497.585516	5821.728995	7019.407956	5772.855298	5261.901059	5152.894388
2.49_267.1564m/z	267.1564103	2.488916667	pos													35476.47402	32156.47697	33593.76338	33788.63373	31462.54211	32690.43629	33684.64122	32367.16163	31751.4998	33736.12648	36226.07741	32420.94497	31889.09507	32146.74616	33853.51013	34207.13921	32457.89403	33639.91506	31842.26455
2.50_191.0186m/z	191.0185814	2.5002	neg													845.2718509	676.1567019	756.1483531	402.5273413	484.25741	410.031214	572.5310426	1641.931248	1854.020379	1322.2572	542.0193469	758.4368401	657.7280496	799.771562	438.2181979	578.1901591	670.0684285	353.8550888	442.5646096
2.51_261.1441m/z	261.1441294	2.509066667	pos													6235.144423	5264.260058	5767.408517	4235.886867	6147.624843	5511.00849	5986.066672	3932.366495	3668.967229	6387.450543	4716.540299	4030.04942	6231.641783	6228.526305	5385.990574	5228.579426	5704.997285	4581.472344	6130.941542
2.51_381.5395m/z	381.5395067	2.509066667	pos													6275.657923	4834.725109	5265.660353	5734.882465	5398.267453	4517.172298	5432.883246	5509.072339	3862.135055	5276.251303	6255.314372	4895.932938	5396.914046	6010.838519	5442.437773	5906.733903	5000.279794	6041.156489	8160.069793
2.51_381.8738m/z	381.8738397	2.509066667	pos													3055.461925	2316.727548	2937.618234	2788.512474	2653.883754	2197.773755	3051.197669	3093.145011	2256.708943	2334.44074	2523.271519	2654.343838	2410.624539	3419.655442	2955.780931	2789.724536	2642.32483	3168.381314	4374.424309
2.51_382.2094m/z	382.209415	2.509066667	pos													1109.512376	1902.065267	1418.147147	1280.175625	1386.312417	1224.691208	2175.912234	496.0261811	0.000297236	1316.88353	1316.644242	174.0493335	1226.787025	866.70465	1719.167485	1078.596667	1337.854166	1436.380907	2495.559067
2.52_145.0857m/z	145.0856706	2.521016667	neg													352.8031889	301.7451134	327.7574406	372.1205903	406.3892611	334.251351	332.7930877	320.8232184	379.8275793	346.243084	352.3053057	361.1236648	403.3523365	400.1322489	399.7472197	359.5112801	363.7863478	324.8527974	341.8165615
2.52_334.9112m/z	334.9112029	2.521016667	neg													14828.52886	14668.70049	14953.64111	15061.27438	15071.10727	15801.76447	16271.06717	15471.51386	15190.30651	15409.24703	16317.28046	15136.12769	15628.43097	16165.60805	15653.69952	17144.15619	15753.07841	15972.35175	14933.45667
2.53_234.1335m/z	234.1335005	2.5283	pos													3351.139958	4221.700683	3521.728297	4335.206286	3606.827377	3818.116932	4341.697119	3616.980453	4331.948765	4248.499076	4506.463251	4130.672593	3776.851614	3659.187327	4315.383211	3952.496542	3516.643707	4010.069468	3700.277631
2.54_186.0761m/z	186.0761098	2.542016667	neg													7252.662339	7066.001709	7473.412541	937.0002187	6052.560749	1506.721848	1020.728989	77153.72215	13140.29898	1393.545853	993.6891027	2054.543975	1781.528465	2138.188372	2590.047584	1480.027518	2889.966467	1551.691234	2037.094022
2.54_187.0795m/z	187.079476	2.542016667	neg													538.2159057	508.0823597	529.2688064	0.000297236	470.6420788	20.74896005	0.000297236	6879.09486	970.3408937	0.000297236	0.000297236	74.37656307	69.82949235	113.9381046	144.0084566	64.448829	171.2852329	27.94241302	74.71151068
2.54_204.9356m/z	204.9355665	2.542016667	neg													1799.6114	1586.598057	1662.914255	1597.655397	1546.875075	1572.342105	1699.149871	1628.602767	1489.983478	1586.791832	1779.569513	1566.390961	1642.772454	1660.968351	1691.306439	1737.499	1686.181848	1753.168742	1569.16162
2.54_322.0518m/z	322.0517994	2.542016667	neg													1509.627139	1553.039423	1625.504065	41.96535781	1288.070979	198.1215536	0.000297236	19578.22045	3193.759047	104.872553	0.000297236	212.00684	166.2153634	344.2907585	405.0703815	188.4834589	434.7822806	238.2060305	226.8480014
2.54_390.0394m/z	390.0394486	2.542016667	neg													1189.734616	980.0709524	1109.089442	0.000297236	811.700453	0.000297236	0.000297236	12809.41165	1859.27689	127.6113558	0.000297236	52.07411117	88.91813374	67.76786683	172.2677859	83.60717962	337.1901532	89.03503784	157.2602712
2.55_118.9427m/z	118.9427122	2.547366667	pos													2055.122497	2696.642944	2477.782211	2683.304797	2493.238773	2191.868152	2497.332979	2092.418177	2413.60068	2285.793644	2622.096753	2809.185306	2562.529141	2417.971956	2732.730096	2615.818531	2547.176747	2581.835707	2244.709374
2.55_290.1594m/z	290.1594151	2.547366667	pos													3922.434323	4251.472469	4118.125944	4171.729936	4024.961489	3641.771912	3354.463536	9066.07409	3156.129677	2544.712547	3772.312047	7640.439314	3016.316642	3383.043152	4512.510219	5597.332	3791.033193	3631.091041	3432.605006
2.56_150.9815m/z	150.9815477	2.5627	neg													1344.667371	1171.589871	1356.14027	1257.634651	1326.430179	1342.681313	1332.894184	1259.903572	1232.373873	1211.689265	1380.66907	1205.142823	1362.439001	1285.421366	1270.183445	1273.074443	1281.026627	1347.105372	1278.890333
2.56_154.0860m/z	154.085968	2.5627	neg													100.0797537	125.9820733	101.8230553	64.05657545	58.58748384	111.7025852	0.000297236	633.8920296	582.4669078	115.9109693	44.77410012	187.3899749	37.99112616	47.38401288	45.21390372	70.56663474	71.5521268	41.56342579	39.1948205
2.56_185.0419m/z	185.0418937	2.5627	neg													967.6515039	927.7935988	929.7380104	1182.709817	666.7984672	725.3811885	1118.354552	904.5364655	1399.854285	949.3525515	1209.956969	813.2701958	890.3953067	1122.931214	978.4275158	497.373569	1145.435324	1069.486342	724.7439776
2.56_230.8992m/z	230.8991736	2.5627	neg													2073.046044	2087.828419	2331.90117	2172.684621	2088.502922	2089.635275	2428.28753	2300.767082	1967.63304	2111.34306	2345.703238	1848.577607	2105.824507	2048.599424	2244.248338	2412.928951	2343.155053	2289.246188	2068.081005
2.56_232.0642m/z	232.0642322	2.5627	neg													862.8566741	546.4649378	688.465932	343.6593261	357.2365324	670.081569	205.6043029	3258.634612	3043.982173	577.0325064	388.1346977	1141.771642	372.0471404	254.5023115	217.969932	394.1593459	402.421263	224.7725157	313.2568136
2.56_448.0657n	493.0637761	2.5627	neg													3348.86214	2424.457035	3440.63988	2020.389438	3250.335913	3424.138568	6848.50467	5071.998848	6977.781599	4754.655088	3936.637758	1044.119158	3558.231937	2798.219819	1992.017168	2004.96878	1983.413275	1193.35516	1747.161217
2.56_515.0456m/z	515.0456235	2.5627	neg													1628.813692	1193.277719	1522.104015	840.1813547	1436.400092	1473.732444	3301.600727	2429.453921	3102.065665	1845.95293	2120.083303	335.9399645	1412.645641	1102.156557	987.9258995	882.2562101	743.6610007	442.4189241	463.443831
2.58_264.9342m/z	264.9341996	2.583916667	neg													10388.60404	10845.92232	10921.33504	10932.01787	10693.2611	11174.20074	11692.31358	11121.48818	11167.97034	11276.50414	11554.44608	9745.900527	10480.61677	10271.37474	10475.0476	11041.74709	10921.37189	10530.51843	10781.65524
2.58_506.1489m/z	506.1489081	2.583916667	neg													1178.882529	1294.61285	1209.414609	217.651091	870.1898291	511.9506796	515.3466302	12994.31231	3085.557571	431.3875427	243.791259	878.4681765	362.8426988	333.7015265	87.71409851	94.0466573	213.7568379	351.6991813	402.0534424
2.58_547.8552m/z	547.8552199	2.583916667	neg													27995.54371	28130.79456	27569.88412	28731.16634	27651.04517	29927.96546	32719.42247	27797.45625	27455.84597	30131.39033	31332.86807	25565.47716	28800.10774	27945.10307	27411.90103	29599.93471	27479.46833	29006.50927	26481.572
2.58_574.1364m/z	574.1364308	2.583916667	neg													311.4501581	291.0284407	400.1399307	0.000297236	89.49630627	108.8582256	0.000297236	6192.813806	1444.176946	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
2.58_676.7961m/z	676.7960875	2.583916667	neg													11729.54537	8832.527408	11263.31432	9646.501753	8924.119027	10362.17176	12457.2188	9765.178341	9054.779505	9797.544316	10814.69191	9733.914561	10439.83062	10886.20324	10669.64088	9438.991955	10929.10616	10946.33338	9480.245272
2.59_201.1484m/z	201.1484212	2.586333333	pos													1859.182019	2141.085411	1923.612907	2316.084987	1989.160774	1812.09142	1794.395891	2017.326157	2122.764192	1805.985247	2042.022735	2375.692601	2027.856443	1908.879832	2218.374334	1974.376502	1965.999053	1928.923889	1631.959936
2.59_212.1154m/z	212.115353	2.586333333	pos													1055.423684	1637.57479	1149.449887	888.024031	1000.900967	1900.515348	961.0788062	1049.598404	792.6382105	1997.412852	1163.142215	931.6580689	1112.261971	1260.951856	1161.078046	973.5880913	1207.030294	947.6711231	1016.821643
2.59_214.0034m/z	214.0033921	2.586333333	pos													1654.924169	2805.897803	2279.099304	2709.474368	2813.943907	2227.839985	2141.182497	2243.031291	2353.102227	2492.807802	2329.103276	2887.542701	2244.274836	2409.416179	2538.255765	2668.820608	2466.570198	2505.207241	2357.934391
2.59_234.0793m/z	234.0792678	2.586333333	pos													2552.54145	2971.71164	2360.701985	940.2741863	1045.146247	2333.923204	1097.542914	10968.70555	9618.308903	2279.860741	1221.128813	5048.278888	1179.890882	1253.473922	1141.7215	1773.410472	2052.240669	911.4952169	1222.196103
2.61_112.9562m/z	112.956203	2.606183333	pos													450.3563266	585.0412588	511.6534309	518.3974295	515.2084398	549.0201993	460.215375	590.4864394	622.1111092	612.2285508	693.8537654	506.8774145	573.5678293	570.9262689	550.2583222	647.1823488	507.520887	561.504861	556.3539336
2.61_143.0336m/z	143.0336218	2.605566667	neg													3241.567266	3304.121793	3239.256068	2696.669215	5359.730749	1700.67462	3239.526388	5138.882702	2358.017289	1606.629149	2791.053201	4621.407049	3793.230794	3607.123556	3128.678572	3151.748714	3286.098818	3604.546229	3260.03322
2.61_211.0216m/z	211.0215558	2.605566667	neg													1016.77141	1186.362443	1102.395071	880.1471024	2124.582773	412.2230942	1025.24775	1797.306815	718.6871283	353.6383747	913.185962	1688.101759	1470.158919	1359.163632	1096.225173	1058.580019	1203.577832	1312.207002	1188.558546
2.61_268.0644m/z	268.0644092	2.606183333	pos													492.5908325	500.4816332	580.2027512	0.000297236	306.3865551	405.2333376	106.3173855	4750.302424	1270.907603	0.000297236	202.2103383	550.4231028	251.5033492	90.55416426	0.000297236	0.000297236	81.63369234	239.1951014	0.000297236
2.61_287.2214m/z	287.2213588	2.606183333	pos													2407.3084	2930.823791	2643.891972	2772.530607	2871.77667	2776.013661	3080.377797	2891.981417	2890.846004	2464.214568	2903.346124	3109.015202	2765.277691	2957.879625	2404.182321	3012.840048	2816.454517	2718.569191	2285.403394
2.61_300.9916m/z	300.9915978	2.605566667	neg													1050.077438	1159.992562	1185.346499	785.8920992	1889.134798	335.7126262	1189.55413	1827.730233	656.0501119	341.444336	848.4247373	1990.184474	1466.867525	1285.329458	1017.886918	968.5445783	1285.91567	1207.305054	1252.923409
2.61_368.9790m/z	368.9789553	2.605566667	neg													461.2205773	595.518288	573.1869774	427.1558074	1223.699782	0.000297236	480.1819982	784.4565006	251.5095529	0.000297236	480.5583171	1056.884682	678.2583042	568.0074289	556.6511173	459.7700155	634.0752091	630.1257559	530.865685
2.61_439.1688n	440.1760576	2.606183333	pos													9733.029387	11623.00179	9964.143978	4246.135423	7472.020089	5356.42011	4687.712863	92360.24829	21602.37617	4421.039758	3925.421427	9580.053322	4307.81348	5627.579086	3369.791946	4063.181938	5148.65816	4750.914973	4196.296559
2.61_469.8391m/z	469.839127	2.605566667	neg													17675.99795	16485.0322	17252.31735	17316.7247	15760.72332	17279.27354	17150.77479	15875.3236	15914.61674	17884.60613	18946.49734	15505.18507	18141.95438	16743.751	17645.30439	17844.3172	17000.00033	17160.91642	16059.34397
2.61_479.8682m/z	479.8681934	2.605566667	neg													37198.60128	35958.935	36361.57764	38025.21581	36217.88516	38275.26953	38490.77229	37644.47615	36104.64491	37403.13442	40079.41295	35076.83813	37277.04065	34692.76109	38964.89049	39401.84631	35983.66048	36893.35355	36013.41226
2.61_712.2332m/z	712.2331549	2.606183333	pos													37457.83901	26489.10787	31653.77807	31475.53363	31843.32636	32326.78508	35371.88254	37147.51878	33930.56026	37136.11814	32956.24446	25016.69684	25359.60445	33405.56347	28412.50576	34152.26481	27752.284	32827.85108	29592.85629
2.63_168.0291m/z	168.0290997	2.6272	neg													2726.000663	2172.417617	2548.437634	2708.793967	2303.251394	2556.212416	2625.755109	2778.678202	2593.760745	2431.004114	2507.866007	2590.165172	2519.557509	2544.307558	2539.338485	2849.763036	2667.827555	2734.052058	2565.05952
2.63_233.0038m/z	233.0037735	2.6272	neg													1422.552567	1394.66851	1389.568607	1115.789123	2506.511472	537.8608599	1336.207602	2390.878035	997.6349234	439.5391887	1157.405153	2344.906317	1933.636832	1659.615622	1392.939056	1290.385031	1433.087386	1789.812765	1777.46835
2.63_239.9951m/z	239.9951438	2.626266667	pos													2186.302873	1824.338912	2184.219295	1635.713702	3739.351837	684.6104054	1754.315445	3175.884393	1058.923786	684.0978784	1579.089583	3344.490976	2647.352289	2181.937102	2243.17852	1861.093626	1658.290676	2492.549131	1886.568494
2.63_519.7420m/z	519.7420332	2.626266667	pos													15051.14758	15715.63619	10806.50959	13345.07929	14962.50219	17020.82075	17721.81506	6085.292131	5830.775421	23144.9455	15345.23251	3540.052761	23828.4735	19180.08998	13740.11352	13056.77225	12234.05185	11486.55026	10708.37627
2.63_519.9927m/z	519.9927481	2.626266667	pos													13632.66759	15262.92187	14869.00259	13611.64486	15306.36925	18508.87948	20462.89817	6796.032048	5523.485251	21624.4604	13684.38871	3798.900386	17926.2999	18707.50204	10311.02736	13385.71664	13173.90763	9190.215781	10855.88507
2.63_520.2434m/z	520.2433879	2.626266667	pos													5015.588159	7313.053356	7785.18317	6734.243701	7471.303939	7260.551288	9360.269839	4599.966541	2486.743745	11919.15799	9323.611526	2314.472773	11386.83559	10758.4705	6890.528027	6126.712722	7163.568756	7092.108276	6764.371886
2.63_520.4939m/z	520.4939218	2.626266667	pos													2978.207554	3646.784813	2143.092264	2213.514731	3058.944231	3615.201286	3007.79816	801.8532827	378.7287871	4030.737569	3262.740505	694.1505445	4132.757858	4310.104868	3309.705507	2137.8225	2498.62406	2114.491983	2246.610906
2.63_692.9871m/z	692.9871086	2.626266667	pos													3456.822791	3391.169607	3877.832748	3073.046462	3957.899442	4757.727035	4961.884994	1103.293393	935.7215159	6033.006334	5800.222573	0.000297236	7445.848361	5264.518183	4764.604046	2009.652722	2732.857171	2000.468969	1665.878805
2.64_169.0859m/z	169.085894	2.644783333	pos													9513.955375	9541.734072	9402.739283	10463.48453	8584.187823	9344.425435	8934.828702	9907.816169	8969.782254	9178.042482	9643.905587	9389.189623	8996.758146	9434.97121	10071.69445	10722.6165	9470.035652	10499.67644	10076.07249
2.64_227.2367m/z	227.2366982	2.644783333	pos													22475.28854	19952.961	20221.68882	22158.81461	20144.04353	22297.27708	21542.96159	20535.99291	21199.45999	22780.85547	22565.05378	20649.4416	19847.72633	20717.47064	21930.01602	21459.57675	20043.8322	22077.81433	20917.42367
2.64_355.0695m/z	355.0694978	2.644783333	pos													72572.31488	68771.91262	69945.19096	71979.57707	67230.94998	68387.08858	67685.87971	65913.74898	70182.10546	68551.71903	68773.21295	75026.13567	69582.07128	69447.24607	75617.42545	72535.4519	68924.26594	70517.19459	61794.76976
2.65_187.8599m/z	187.8599213	2.648233333	neg													686.6537143	544.3813833	657.5191917	634.5723491	524.8900078	572.986945	737.0726847	558.1442441	624.4108838	570.6992054	637.5521259	516.1472613	591.3308245	645.7329309	647.0321522	729.5157961	592.9068376	629.8212369	583.415781
2.65_314.9323m/z	314.932271	2.648233333	neg													2091.150713	2244.58346	2242.113454	2163.610927	1783.560197	1999.413884	2386.268173	2065.442673	2262.736774	2167.037941	2262.924433	2027.400056	2232.142769	2049.473589	2149.706554	2061.898952	2233.410597	2527.825327	2075.642108
2.65_376.8858m/z	376.8858253	2.648233333	neg													9598.983711	8249.814783	8829.323334	9364.051293	8568.052371	8986.73342	9814.593084	8791.46487	9010.391966	9646.644122	10684.34126	8189.063184	9813.930031	9182.079646	9308.928546	9622.180006	8901.02979	9061.322376	8785.189125
2.66_304.8936m/z	304.8936098	2.664816667	pos													31991.37766	30819.55366	33342.4063	33674.64154	31512.9055	33049.61254	33781.46189	32158.03184	31446.98137	33330.11506	35213.95832	33989.45079	33391.33122	34158.33492	36181.94139	39539.22917	33087.30263	36852.86661	33119.38705
2.67_187.1077m/z	187.107736	2.669566667	neg													4535.166553	4578.266954	4240.978805	2173.66561	8207.600906	2704.65743	7412.46358	737.0797884	1175.638243	7452.52024	3822.981939	951.0347192	5842.939412	8515.837206	6322.890618	5876.296789	5764.578623	2591.866206	5087.893326
2.67_244.8879m/z	244.887873	2.669566667	neg													837.6928384	929.9044404	661.0701589	963.7534126	585.6053081	691.2641847	850.1134613	525.9562659	752.560724	560.1672894	786.1794715	606.6458843	679.9326583	663.7114538	830.5809826	808.7097249	709.6288196	872.6281736	689.4735151
2.67_246.9445m/z	246.9444635	2.669566667	neg													1299.322839	1331.698365	1419.07757	1361.309924	1416.949477	1532.056884	1669.252509	1469.08486	1583.450144	1413.189847	1538.754815	1369.650264	1429.815276	1285.767894	1454.691096	1521.296113	1383.487561	1570.153796	1328.657881
2.67_255.0959m/z	255.0959492	2.669566667	neg													2483.02942	2688.566434	2437.115963	1269.363775	4694.122435	1646.505158	4167.458115	338.9733549	643.2638515	4004.171879	2205.020147	502.3946544	3547.085299	4556.443308	3646.931939	3348.67356	3159.844884	1360.081804	2972.668505
2.67_520.8368m/z	520.8367858	2.669566667	neg													22507.19078	21122.35643	21900.59001	21559.07429	20168.64831	21241.16353	23969.50374	20249.52971	19269.93357	20980.29337	23311.69543	18342.63379	21453.78549	21185.64724	21924.40523	21130.04058	20378.55166	21944.47062	19821.02853
2.67_588.8245m/z	588.8244834	2.669566667	neg													17835.60691	16921.40424	16776.92142	17270.10397	15819.23077	16702.84545	19580.14285	16613.40392	15844.56525	16415.23403	20037.0703	15521.38225	17956.71134	17040.59599	16603.54553	17557.73258	16287.42419	17302.37584	16200.02096
2.67_595.8592m/z	595.8592004	2.669566667	neg													10038.98503	10425.54523	10775.00737	10586.16836	8338.316101	10499.4701	12070.39086	9601.583037	9180.66084	10240.93604	11103.9233	9088.4047	8807.337385	9989.367543	10292.5744	11040.36338	9158.562253	9625.561323	9806.564582
2.67_615.8419m/z	615.8418652	2.669566667	neg													21269.13914	21531.53021	20969.44867	22328.53142	20398.15452	22385.76046	24273.14775	22328.39348	20741.97401	22077.27513	22165.55573	19904.3926	21296.78953	20498.45902	21284.52786	21868.09873	21923.65629	21028.02382	19297.16872
2.67_734.8284m/z	734.8284414	2.669566667	neg													16857.91353	16258.8649	17593.16109	16433.09258	16842.34983	15988.87875	19400.23524	14747.95434	15739.04755	16834.14875	18746.37864	15207.23416	16092.68523	16181.11878	16827.95652	17650.0457	16926.78273	17455.48667	14465.12655
2.68_182.9621m/z	182.9620782	2.684466667	pos													1438.782268	1285.440287	1396.649788	1268.108491	1291.60767	1422.833473	1441.883319	1618.765966	1445.60567	1435.406047	1350.887838	1444.993075	1338.139544	1521.395135	1633.717883	1216.505907	1286.692102	1469.043827	1322.701429
2.68_271.6682m/z	271.668214	2.684466667	pos													1387.964369	1272.089525	1723.347928	1251.686195	1107.784057	710.4086005	1673.828957	1284.600606	1092.647266	1152.371428	1273.791382	1527.470585	2124.895273	1778.871927	1192.388765	833.2250605	1238.048175	1341.981177	1491.618206
2.69_293.9523m/z	293.9522869	2.6907	neg													704.0685389	536.3253699	620.5564422	531.2242003	467.3420555	647.6797755	865.3394766	1379.602725	1041.165778	598.7132556	457.2254417	633.1949489	606.8834693	767.9030196	520.7058012	571.0474435	719.4344996	866.3959141	521.224419
2.69_332.1713m/z	332.1713464	2.6907	neg													640.0275447	649.2234087	565.5477562	290.0322212	504.4418034	896.3781294	188.6236376	3871.610735	1982.83186	626.7377936	287.143652	241.3730502	302.9103329	258.1278217	200.3397464	345.2301663	313.513967	216.746737	331.1783621
2.69_332.9220m/z	332.9220415	2.6907	neg													6779.103103	7008.909057	7048.814504	6981.407355	6743.26821	7080.016824	7547.678224	7013.544948	7162.453455	7297.909434	7294.297467	6427.147055	7094.645386	6613.923996	7450.381938	7104.873691	6713.222836	7033.488493	6575.932254
2.69_400.9091m/z	400.9091224	2.6907	neg													3019.355975	3068.791974	3253.919478	2568.170842	2893.3367	2802.417695	3536.61855	2871.119786	3293.762164	3065.452076	2985.21822	2428.986401	2690.884786	3155.99902	3006.126964	3228.66135	2897.864926	3305.556282	2762.243247
2.69_579.8059m/z	579.8058737	2.6907	neg													3121.687116	2669.338541	3468.718057	2344.095015	2693.310839	2740.161947	3288.196682	2183.121097	3110.056868	2814.094409	2812.661945	2461.593175	2861.47806	2908.815476	2950.500724	2590.878156	2908.324035	3652.744721	2586.213877
2.71_185.0419m/z	185.0418907	2.7118	neg													1159.605166	1183.600938	1053.658959	1131.891493	1094.25769	1016.578663	1146.604059	1745.076266	1670.233443	1289.026002	1277.304982	666.1767097	1117.226787	1276.327649	1419.021719	841.504462	1329.942263	991.2198626	1359.40597
2.71_401.1562m/z	401.1561574	2.7118	neg													101.4016644	67.49648294	94.00580215	0.000297236	319.2157618	1500.380007	0.000297236	123.9486059	0.000297236	2262.802877	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
2.72_140.0248m/z	140.0248218	2.723783333	pos													380.3131995	342.3746585	455.1353879	360.9725073	419.9180808	480.2658907	614.5856885	505.7026163	215.6483633	403.0704948	488.6199256	406.4360615	311.1374772	417.5419854	623.2560689	544.464624	371.8577549	556.5612278	491.282968
2.73_230.8809m/z	230.8808743	2.7334	neg													3508.735099	3630.243168	3782.352172	3084.940438	2813.202768	3323.808101	3085.770058	5489.765823	5194.64826	3108.852745	3362.940338	3868.685461	3004.094317	2757.888932	2908.713772	2834.275013	2968.817655	3049.264496	2734.053718
2.73_334.0204m/z	334.0203642	2.7334	neg													871.6287914	763.9617275	708.600569	1067.408493	359.6394999	567.2532638	864.8839719	573.4079608	814.4308055	897.6955804	853.2269116	556.9886656	788.2886859	363.0961343	717.2071581	626.4477475	708.9861422	702.080848	607.8275198
2.73_350.9766m/z	350.9765627	2.7334	neg													1414.397986	1580.555677	1438.072155	1076.505567	1623.767734	2796.03342	1250.448998	2950.248756	5309.370656	2568.539294	756.6813491	828.9603016	1436.140902	1138.047663	770.7524096	281.8887845	553.671969	617.6616654	1352.395182
2.73_361.0394m/z	361.0394177	2.7334	neg													1081.322149	1417.890612	1072.012398	2104.325098	1389.685973	1437.789956	1693.908117	1368.59643	1116.632153	1578.746469	1816.859017	1418.923838	1334.954892	1261.929441	1139.696175	1524.581554	1085.765706	1203.130072	1517.795365
2.73_382.0044m/z	382.0044059	2.7334	neg													1774.629472	1576.583112	1523.636703	0.000297236	77.85116383	0.000297236	0.000297236	8031.795731	8120.532508	21.11884403	95.34870223	6165.061775	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	8.721585056	0.000297236
2.73_443.9742m/z	443.9742147	2.7334	neg													1436.121801	1656.03669	1438.145818	2084.245642	1419.014053	1487.485381	1501.759633	1414.720313	1485.848445	1699.503944	1740.309097	1735.030101	1572.978407	1569.29779	1953.633628	1683.938685	1130.236398	1314.900027	1846.738421
2.74_158.0354m/z	158.0354498	2.743033333	pos													29419.89318	27631.31567	29266.29018	32475.68002	25901.73632	31769.06322	30783.62907	25493.67168	27182.4024	31132.70548	31166.52897	31016.89267	35631.78266	33163.89101	27886.38479	30093.45596	27956.77855	32916.76854	29031.35408
2.74_158.5372m/z	158.5371554	2.743033333	pos													3678.035005	3264.189895	3416.006711	3888.873061	2936.642549	3585.705908	3423.200276	2836.587401	2941.343645	3574.339416	3386.478719	3430.705256	4112.455314	3904.980442	3573.369069	3162.043691	3270.842189	3656.942067	3569.616292
2.74_167.0407m/z	167.0406517	2.743033333	pos													775.9479951	806.2353642	814.621157	1169.170898	797.4829701	1400.644753	920.1282372	515.3910296	1208.440704	964.6686314	733.9331362	1114.101352	1278.535442	1017.094536	1082.622573	1006.089712	603.5726719	987.4717929	770.3573983
2.74_169.5434m/z	169.5434217	2.743033333	pos													2352.222483	2425.660611	2126.139093	2381.110031	1862.427211	2386.359175	2235.968385	1825.18365	2134.012335	2072.362341	2555.433956	2226.630752	2817.806544	2386.670491	1978.111384	1979.898991	1905.960059	2120.926145	2272.512534
2.74_177.5414n	178.5486732	2.743033333	pos													11599.79073	13311.52754	12730.97265	14188.6042	10388.19497	12661.43172	13125.4633	9803.251209	11191.82396	11001.32216	12976.598	12511.52485	14345.93171	13018.34702	12428.35237	12154.68789	11580.19898	14007.87195	11314.0329
2.74_177.5510m/z	177.5510155	2.743033333	pos													342.1150363	301.9385077	247.8276939	300.2236396	398.9680729	244.4419796	147.3267962	91.47633272	425.2298455	171.4475653	452.4245096	217.2353958	362.2457738	433.7537569	342.5144742	392.9803092	264.3597923	435.9834136	283.1914659
2.74_178.0430n	179.0503684	2.743033333	pos													1166.217061	1349.067436	1291.27946	1269.643995	1184.886118	1320.66387	1533.880284	1076.741745	1243.563579	1275.042874	1348.340177	1128.902017	1346.53965	1554.020382	1025.66705	1092.463137	1069.01793	1572.376379	1369.783219
2.74_214.0035m/z	214.0035213	2.743033333	pos													2853.448063	4442.198199	3652.244711	3635.641093	3397.354189	3553.348122	3061.7512	2973.500858	3097.682232	3138.078384	3460.316292	4463.446777	3776.712081	3293.07928	3550.145708	3679.353771	2556.773278	3407.027179	2760.555459
2.74_219.1104n	220.1177068	2.743033333	pos													1321171.59	1390018.947	1324830.636	1481222.973	1149834.874	1393739.826	1398170.437	1165197.11	1255962.405	1320750.346	1363341.195	1483097.978	1646213.601	1448233.181	1271234.168	1334760.378	1191126.243	1427591.255	1256079.974
2.74_247.0771m/z	247.0771488	2.743033333	pos													3817.659798	3752.720965	4047.919302	5011.624307	3180.737794	4947.321888	4072.104723	2808.515274	3647.105283	3503.998469	4418.764475	4717.590813	5737.882418	5048.891695	3087.897774	4122.238645	3102.972303	4554.694703	3698.16265
2.74_265.1752m/z	265.1751805	2.743033333	pos													4011.283049	5767.539748	4837.914075	5761.437529	3571.001684	4796.223672	4737.816056	5319.667897	5593.952374	4423.518002	4891.014693	5519.283885	5535.665659	5392.521979	3798.149445	4485.846537	4082.284076	5562.463695	4526.444152
2.74_309.0062n	310.0135176	2.743033333	pos													6170.876929	5917.768667	6304.877148	7240.682143	5540.459485	5446.885766	6100.21467	4889.827011	6378.031552	5728.408699	6690.5231	5988.443641	7612.277679	5518.896267	5410.666363	5984.746934	4062.381036	5469.344721	4930.958932
2.74_342.0243m/z	342.0242619	2.743033333	pos													6251.634692	5925.242321	6346.174392	7722.848599	5935.100369	6926.018069	7014.433089	4424.442845	5544.527208	5955.883607	7475.613698	6444.725339	7413.710261	7337.232085	6280.672144	6004.47692	5636.695547	6821.610303	6594.171659
2.74_460.2029n	461.2101477	2.743033333	pos													29188.36673	32048.75883	31147.51307	40975.06819	21690.38452	31139.93665	37080.39355	22809.01025	26247.03051	26340.92703	30052.57651	35439.04821	43183.97732	36080.38833	22123.41473	24794.50089	20479.65313	34066.52921	26947.24263
2.75_121.9425m/z	121.9425074	2.754933333	neg													5502.123527	5382.478389	5508.606705	5031.559972	4958.842484	5044.648379	5439.604003	7058.643336	7033.536721	4774.250551	5225.25572	6121.36101	4817.446994	4875.751711	4989.469413	4986.51977	4861.470592	5277.411408	4719.704137
2.75_146.0809m/z	146.0809246	2.754933333	neg													1723.089203	1715.909934	1875.833102	2005.969558	1674.950616	1960.328398	2098.667306	1628.57843	1622.985166	1953.058946	1880.412511	1740.376048	2062.932118	1955.857964	1508.260207	1576.200176	1520.732211	1938.226705	1850.173591
2.75_220.8516m/z	220.8516386	2.754933333	neg													554.114363	545.5467854	529.406431	65.1394593	39.39006908	69.52554981	30.89274544	5266.888061	4897.125074	39.63374488	0.000297236	2936.36474	34.73907231	29.31338719	29.23807634	30.84894132	32.49287891	25.73920776	65.06765321
2.75_222.8488m/z	222.848821	2.754933333	neg													259.3221754	187.5802457	261.6684885	27.56943872	23.73951193	0.000297236	0.000297236	1724.589323	1641.964331	0.000297236	27.12016988	1377.808232	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	29.62920731	0.000297236
2.75_237.9911n	282.989262	2.754933333	neg													7531.256627	7704.904983	7237.945957	6389.889494	7196.966873	11410.66221	7170.658622	11646.8261	19104.08908	10060.23538	4763.817669	5106.847267	7046.116681	5374.064921	5115.210172	3549.839655	4680.07507	4526.081418	7006.368101
2.75_241.0920n	286.090662	2.754933333	neg													216979.6188	221339.3003	221440.4169	258133.1569	203170.0737	237656.7645	260844.8783	196348.7158	208686.3618	232288.7895	242406.5576	219023.6917	264255.4137	227486.5356	203121.9776	206837.2276	201377.9357	245161.7538	220796.6471
2.75_254.0797m/z	254.0797465	2.754933333	neg													10614.9136	10503.96398	10736.47262	12755.54969	10173.78752	11789.32379	12751.35351	9503.580675	10229.59793	11108.90484	11959.98155	10613.87179	13525.63347	11085.67847	9730.589334	9867.143839	9385.951351	11802.90411	10803.23195
2.75_256.0766m/z	256.0766422	2.754933333	neg													2926.293394	3250.648489	3166.299232	3820.409988	2765.241427	3791.259121	3734.312026	2883.788036	2907.517552	3122.547488	3795.220752	3295.218332	4145.363338	3407.264639	2822.943558	2924.05214	2966.235352	3397.468909	3179.572004
2.75_272.0219n	317.0200005	2.754933333	neg													5667.811728	5281.512275	6070.163911	6556.208253	4958.340426	6034.79412	6603.287501	4293.58354	4603.152092	5614.532188	5577.369738	5231.996264	7098.450543	6446.059448	5142.104048	5375.724167	5044.133336	6584.067991	5412.505977
2.75_276.0618m/z	276.0617541	2.754933333	neg													18940.65934	19413.19145	18793.80051	23089.69066	18053.22925	20650.87474	22758.62142	16774.07011	17895.47447	19878.84713	20451.45172	18518.35887	22890.00605	20212.27241	17415.89465	17590.29342	17226.58917	21841.77503	19284.28863
2.75_278.0588m/z	278.0588125	2.754933333	neg													5705.809641	6086.127952	5554.798612	6911.331774	5517.53982	6412.010027	6883.154557	5508.167783	5540.180289	6178.61746	6580.112329	5637.036571	7227.764736	6012.698013	5158.940526	5055.088097	5133.607675	6319.691113	6267.59387
2.75_304.0124m/z	304.0124184	2.754933333	neg													2476.015842	2285.83962	2168.375207	2607.449617	2045.611567	2600.538142	2709.245281	1812.408803	2263.352597	2527.378566	2607.876661	2020.437037	3085.622964	2371.198251	2195.342633	2236.678938	1813.793223	2632.756992	2630.793451
2.75_309.0799n	354.0780946	2.754933333	neg													118459.6493	118160.9123	119429.8159	141944.2398	111111.2847	128401.5857	138767.8515	103173.0472	112735.598	124509.4797	132146.2232	115008.8508	138295.7203	122513.4712	108836.4048	111636.0112	111604.1553	135080.2448	119574.6643
2.75_309.9963m/z	309.9962713	2.754933333	neg													825.2942313	530.2433553	710.9970679	950.654284	665.2376007	768.3496109	945.6908849	376.3051949	395.2194277	701.0107545	702.0565686	605.0967843	945.3805885	643.6886846	622.6652921	653.9440414	776.5579871	840.7649978	618.6750584
2.75_316.0799m/z	316.0798997	2.754933333	neg													5256.885543	5686.064313	5683.664417	6695.033423	4822.305311	5898.031474	6277.540923	4566.261441	4505.345913	5254.373755	6112.620253	5366.017281	6894.287723	5483.76304	4966.694303	5322.155673	4939.475798	6232.038869	5362.833975
2.75_319.0352n	318.0279699	2.754933333	neg													14861.88001	13646.58971	14351.6129	17131.28571	12047.70535	15272.68707	16823.52761	11487.53778	13308.71077	14453.59443	15164.827	13747.96016	17101.64781	14720.19574	13150.34683	12967.0948	13289.68177	16288.15106	13950.94337
2.75_330.0804m/z	330.0804426	2.754933333	neg													1547.222212	1446.373011	1584.820341	2055.043924	1359.879198	1599.789592	1781.051624	1447.369701	1753.051788	1285.81798	1437.176486	1798.81147	1706.984374	1653.030611	1104.024763	1387.307818	1276.595562	1883.953475	1311.814485
2.75_330.1169m/z	330.1168523	2.754933333	neg													2377.265935	2085.677436	2330.287849	2861.530224	2155.801421	2920.776261	3011.823637	1907.228007	1810.11403	2399.838678	2279.437429	2026.024334	3065.297604	2504.970043	2321.954014	2225.906173	2132.500927	2726.225196	2458.686316
2.75_335.0179m/z	335.0179263	2.754933333	neg													1421.958865	1310.281288	1206.485311	1686.019686	1237.845789	1612.318863	1597.341339	756.9388895	931.3228311	1008.576518	1529.879599	1144.907353	1762.836233	1476.419462	1327.403944	1235.115835	1134.052748	1710.703057	1467.811585
2.75_338.0528m/z	338.0527737	2.754933333	neg													3015.928542	3015.618434	3033.120256	4058.589784	2955.824172	3708.900949	4092.469221	3215.686707	3228.188222	3208.030278	4080.631213	3039.071737	3285.680025	3457.385248	2937.360702	3352.273358	3300.595379	3509.255661	3023.754579
2.75_338.0618m/z	338.0618216	2.754933333	neg													4229.69899	4112.630412	4779.273469	5076.851623	3747.557102	4355.621039	4598.220016	3410.274579	3341.400386	4563.382048	4278.469148	4244.224335	5192.355811	4362.938596	4066.649366	4177.547688	3974.630612	4631.650402	4326.107745
2.75_341.0174n	386.0155378	2.754933333	neg													24657.41532	20187.96784	22627.94422	26837.1649	19829.1602	24533.90983	24844.34825	17968.47225	20110.40036	22362.5864	24641.97868	22394.15463	26562.15468	23122.87785	19875.39561	20498.95956	20191.67296	24859.11178	21981.90756
2.75_343.9756m/z	343.9756482	2.754933333	neg													489.4660635	367.2662684	399.6336861	666.8797671	580.2160233	747.2658564	279.2772985	393.5992959	318.1710341	379.2424184	779.0847951	337.7544211	618.6975835	286.3865708	629.7172336	644.5551371	233.6400817	834.0091182	425.3577408
2.75_361.0100m/z	361.0100265	2.754933333	neg													3970.131119	4198.359362	4028.481512	4495.958655	3982.514674	4565.070935	4720.747906	3380.587996	4198.101988	3810.233105	4660.485405	3730.142793	4905.309264	3924.493844	3889.670604	4012.235498	3757.681723	4403.132314	3997.776358
2.75_364.8591m/z	364.8590597	2.754933333	neg													407.5743419	330.6457723	318.3524628	70.44790427	138.0643786	92.93322378	119.1195732	4577.384494	4488.926624	53.65169622	69.06007257	2365.725867	60.1479843	51.76660933	70.44082754	81.48063143	31.15936543	85.70653432	53.83699581
2.75_375.9867m/z	375.9866936	2.754933333	neg													2024.061225	1686.028963	2130.0072	2211.272258	1659.761982	2285.398366	2168.940655	1226.403241	1551.853459	1905.716107	1979.186835	1884.287184	2125.272456	2241.843968	1763.763833	1879.536223	1988.79142	2458.311982	1861.773765
2.75_382.9919m/z	382.9919427	2.754933333	neg													3128.342759	3156.88542	3067.731656	3414.087696	3066.008266	3130.2061	3479.316186	3644.759773	4300.967676	3013.492727	3224.38692	3581.016272	3830.323722	3144.939492	2594.504653	2765.569522	2726.085624	3456.863972	3180.254691
2.75_409.0047n	454.0029987	2.754933333	neg													19900.62079	17031.16125	17537.59079	21650.47223	15773.63723	19078.70222	21556.62233	15507.6283	16931.2202	18781.6132	18999.6868	18687.45934	20386.48316	18137.00259	16699.68254	18056.63031	17819.52084	19984.57226	18258.75251
2.75_412.0367m/z	412.0367041	2.754933333	neg													9610.197936	9701.683567	9614.226819	11496.43478	9049.691272	10019.08203	11161.79923	7662.144167	8833.326154	10220.1251	10797.55705	9509.155343	10821.44488	10230.84205	8470.638121	8925.32311	9346.100823	11272.40909	9526.125629
2.75_414.0333m/z	414.0333242	2.754933333	neg													2760.014686	2551.067899	2680.174346	3766.461434	2343.42468	2877.953496	2660.990724	1910.971289	2486.886501	3043.712276	3524.226377	2422.093803	2720.346019	2453.306869	2225.481837	2952.878633	2317.862047	3600.851892	2669.929165
2.75_450.9794m/z	450.9793611	2.754933333	neg													1932.664566	2072.690284	1686.747999	2599.271508	1793.737069	1946.162879	2172.863108	1564.177443	1744.714878	2379.408838	2573.678762	1906.847628	2354.478597	1982.068272	1894.409648	1964.413215	1758.969114	2400.942724	2200.497525
2.75_452.9950m/z	452.9949804	2.754933333	neg													3039.234563	2251.403068	3037.950752	2445.029816	2523.971806	3291.833284	3611.43024	1378.616335	1645.285831	2215.578581	2007.356704	2116.525013	3594.091101	3040.716897	2240.645553	2559.183569	3375.191783	3499.834396	2017.188522
2.75_459.1960m/z	459.1959767	2.754933333	neg													38820.6968	38609.19795	36800.20335	53612.33341	31919.7045	45163.13671	50977.14784	28267.27675	33707.73078	40717.56852	42996.49057	39486.59046	57279.18458	39984.36997	30903.74783	32450.94529	30919.93777	45230.80903	38536.92998
2.75_470.9931m/z	470.9930873	2.754933333	neg													1195.265333	981.0681868	1267.065147	1639.493176	1255.850207	1402.42437	1348.498788	654.7542389	1000.028753	1594.934835	1491.265864	1113.734235	1352.089856	875.5792578	1349.573246	1272.143778	1304.89432	1646.643293	1480.994562
2.75_475.9838m/z	475.9838225	2.754933333	neg													1488.181696	1600.955226	1462.328269	2158.261229	1565.579924	1513.470825	1842.656537	1264.63173	1604.23265	1367.728425	1685.282467	1578.582707	1617.65818	1477.575041	1422.376934	1317.368647	1846.889361	1593.107384	1574.620682
2.75_480.0241m/z	480.0240563	2.754933333	neg													7884.464633	8543.308557	7436.538118	10130.73242	7417.272812	8451.358744	9261.557038	7117.3814	6970.874301	9281.401391	8774.583392	7245.370971	9626.786717	7512.973272	7939.459057	7742.500733	7864.710373	9227.986607	7030.602326
2.75_490.0530m/z	490.0529912	2.754933333	neg													38786.00123	39969.23639	37546.42572	48975.40333	35207.65827	42357.8226	43981.58847	33202.08788	37261.15273	41866.10889	43683.52133	36209.9439	44048.38321	36226.25659	34711.63211	36251.74846	35487.3667	43180.40318	38198.65913
2.75_490.1250m/z	490.1249936	2.754933333	neg													1150.969984	835.2477011	857.8192609	1301.96605	971.9371277	1186.810622	1134.7514	719.2248842	721.2446739	734.3135449	891.1454088	766.7523238	1387.108705	773.488594	271.7959781	572.6446872	672.3701865	1283.699693	980.3630804
2.75_491.1329m/z	491.1328609	2.754933333	neg													2573.689957	1506.112595	1676.891205	2924.711623	1318.269773	2901.523254	3402.353984	946.9781943	1546.164227	2001.594005	2206.061096	1927.949269	3858.516423	1962.659144	1524.483122	1902.454932	1866.488354	2397.522933	2202.417875
2.75_507.0430m/z	507.0430062	2.754933333	neg													6592.695208	6890.936271	6281.306182	8308.726799	5973.590705	8062.719023	7032.15228	5477.907386	5790.105105	7098.469928	7164.438263	5726.401547	6610.200505	6002.515658	5959.886675	6269.454495	6464.386934	7573.189518	6648.972866
2.75_512.1070m/z	512.1070066	2.754933333	neg													1010.068664	1266.268415	1272.675711	2201.208119	1063.64208	1533.054769	1784.253102	651.6850094	734.7454349	1304.868237	1592.678691	1388.026256	2005.096677	1565.495353	927.6655825	1059.722745	1353.367644	1769.032313	1596.015853
2.75_522.9975n	521.9902117	2.754933333	neg													15132.70014	12871.29922	12964.97392	16763.37801	11689.03487	14559.19986	14406.07916	10610.69089	12666.98834	13677.93495	14812.94881	12572.424	14796.81708	13548.78228	12894.31118	12450.45324	13384.85448	15145.4912	12612.47234
2.75_527.1833m/z	527.1833013	2.754933333	neg													19644.63197	18339.56127	17381.50177	24073.10027	14317.56231	19080.92958	22956.92728	13273.65544	16162.47275	19610.88544	20942.85785	18485.69923	26721.24373	18672.00317	14411.86409	15929.91139	14630.61588	21246.8333	16244.65396
2.75_544.1737m/z	544.1736512	2.754933333	neg													3045.743425	2710.057073	2617.648857	4817.887919	1986.001406	3137.027185	4028.449279	2075.522765	2426.284291	2888.407665	3532.363572	2992.109573	4658.949354	2580.369153	2131.13077	2709.040671	1849.494025	3182.40823	2668.329314
2.75_548.0118m/z	548.011826	2.754933333	neg													4614.549849	5917.561039	4648.288941	6701.31271	4423.530167	5633.127309	6406.77166	3438.00545	4238.345746	5397.622401	5670.725834	4413.678316	5410.272108	5167.459691	5105.44276	4926.208431	5161.714162	5561.886009	5609.660883
2.75_558.0404m/z	558.0403654	2.754933333	neg													22857.47529	25596.08619	23571.7143	30293.61997	22146.58422	25734.50549	28824.13649	20907.7556	22610.53467	26302.79232	27855.11804	23185.15049	25786.49138	23345.38375	22953.99175	22390.70488	21853.99428	26398.2764	24396.19027
2.75_575.0309m/z	575.0308702	2.754933333	neg													3682.091469	4006.456601	3653.614561	4991.366935	3975.256827	4446.085895	5131.490051	2794.779782	3479.022137	4637.769463	4751.683617	3453.902798	4541.60305	4093.094273	3909.872847	4579.085434	3559.66385	5289.66363	4376.683807
2.75_589.9778m/z	589.9778025	2.754933333	neg													6787.48098	6230.548259	5082.634731	8290.24323	5186.631392	6607.102023	6224.070656	5184.942255	5514.329497	6308.627849	6487.968756	5115.889377	6719.362546	5844.225156	4226.569297	5871.477506	5465.932825	6871.536418	5854.237968
2.75_595.1709m/z	595.1708846	2.754933333	neg													12055.82038	10819.78792	10654.46072	16552.72172	8931.233267	12942.54679	14143.27779	8083.752722	10753.87079	12791.11725	12668.55239	10351.86806	15454.37694	11081.24521	8989.005047	8812.93729	9310.598236	12117.10026	9912.382254
2.75_612.1607m/z	612.1606937	2.754933333	neg													1357.896099	1104.284345	1235.18391	2077.877337	1140.603077	1568.223475	1973.91708	867.873425	886.9122815	1667.586609	1274.191067	1103.246343	1680.763452	1368.384611	969.7539908	732.9540735	845.0277565	1390.061148	1205.785592
2.75_615.9988m/z	615.9988061	2.754933333	neg													2781.104736	2221.668264	2492.632111	2548.850243	2065.281132	2727.306331	3064.877136	1659.911883	1820.673253	2848.828535	2638.653597	2235.486057	2672.467377	2420.819942	2238.351923	2571.5699	2796.885912	3054.918854	2515.032716
2.75_626.0279m/z	626.0278805	2.754933333	neg													16564.03554	17096.88249	14521.86467	20434.5154	13951.52177	16581.91343	19510.88476	14818.11561	14402.0913	17952.45359	18815.11785	14484.84055	17717.21839	15070.73939	14584.50663	15241.14316	14320.16274	19137.63993	15704.00601
2.75_643.0182m/z	643.0181932	2.754933333	neg													2589.182562	2757.837744	2672.448734	2963.890436	2267.85671	2496.174946	3089.415666	1661.947287	1777.6494	2870.786268	3078.42158	2122.51878	2602.832706	2944.848291	2200.436842	2051.1046	2283.612992	2350.710247	2132.589378
2.75_657.9652m/z	657.9651767	2.754933333	neg													3484.287617	2798.814821	2711.224081	4881.125598	2069.35973	3439.750929	3199.323826	2684.588036	2333.051787	3888.825857	3965.72828	2816.958633	3832.032199	2431.112251	2818.565358	2914.024999	2700.124831	3230.152934	3229.460404
2.75_694.0153m/z	694.0153189	2.754933333	neg													8762.955718	11074.11029	9735.088187	12584.42721	8557.879897	10397.45215	12639.83728	8577.436758	9868.595633	11876.01675	11438.50053	9162.237253	10638.30751	8579.000925	9700.295251	9059.355099	9528.137195	11635.87357	8355.234113
2.75_700.2887m/z	700.2886805	2.754933333	neg													2502.939783	2557.710959	1842.721634	4123.934254	1161.328455	2475.094279	2829.232667	989.4619726	1736.43813	2459.832326	1949.762084	1883.79635	3752.170448	2338.985796	995.0466429	1532.038445	1268.065728	2970.983817	2285.868831
2.75_731.1456m/z	731.1456288	2.754933333	neg													4747.769236	5088.573089	4462.903595	7704.042045	3329.289013	5509.308048	6337.481367	3312.989404	4156.443615	5489.658797	5783.558763	4183.468976	6269.552287	4237.373397	2971.459808	3872.786332	3502.282963	5613.356127	4585.869775
2.75_762.0026m/z	762.0025724	2.754933333	neg													5600.925761	5422.201665	4497.913297	5356.391761	4453.431097	4293.292997	6144.962923	4414.845818	4352.208185	6482.706001	4867.317667	3634.464752	5701.394698	4730.886895	4460.259367	4920.865054	5060.84048	5410.857274	4956.602904
2.75_799.1329m/z	799.1329285	2.754933333	neg													2713.442376	2546.751713	1844.547455	4179.214408	1926.45154	2748.695966	3729.600569	2048.184002	2088.413068	3391.011223	2613.545309	2951.440172	2416.278786	2220.481003	2357.190309	3091.118184	2635.985445	4314.592425	3712.028261
2.76_331.0588n	314.0555591	2.763916667	pos													18760.51679	18382.42888	19082.85663	22182.23887	17806.40785	16758.01638	18813.60666	11165.83152	17155.71746	18660.99668	18444.87171	18336.55255	25937.20995	17918.57766	16530.60944	21528.02921	16197.20044	16216.0355	16195.97068
2.78_122.8967m/z	122.8967298	2.775366667	neg													223.8868805	265.285578	225.3777027	228.8533888	206.0802921	227.1677954	201.431428	891.4468431	728.6009674	251.1402692	239.5755594	537.7471999	225.7446983	182.1094115	209.7241564	206.4276854	236.2196097	257.1028435	235.5798956
2.78_146.9612m/z	146.9612315	2.78305	pos													5518.490843	6028.686101	5672.263081	5833.244722	5599.975195	5253.503134	5207.446059	5187.953725	5429.771715	5501.147006	5647.648516	6079.342776	6398.953569	6081.967139	6172.773289	5953.948427	5173.179787	5911.806535	5464.927304
2.78_183.1015m/z	183.1014628	2.78305	pos													6896.195048	6954.092855	6847.104063	7034.642352	6739.949495	7026.65066	6822.472533	6486.279659	6553.379827	6718.967159	6813.873899	7215.674756	7579.786168	7170.743623	6709.666933	8111.396155	5148.210039	7504.901183	6366.564376
2.78_188.0917m/z	188.0917358	2.775366667	neg													467.3785196	457.2243	464.7991736	223.4248822	656.28589	668.3787903	204.1146963	788.391851	912.6101338	652.1026654	283.2574295	293.5584071	437.38675	490.9519854	481.1555494	241.3161106	586.3779699	415.0060263	303.4156204
2.78_366.8559m/z	366.8558991	2.775366667	neg													1825.464677	1962.746842	1595.443066	1792.806194	1624.79285	1555.570634	2030.949133	5264.797501	4761.884489	1621.993679	2210.19674	3393.424049	1438.075497	1507.099137	1641.041611	1871.284173	1231.403513	755.6951555	1300.325973
2.80_143.0336m/z	143.0336152	2.796916667	neg													2477.228248	2242.546504	2323.243625	2627.91493	2834.366038	1514.027188	2437.710278	3827.614707	2112.977167	1441.049336	2102.980702	2643.052853	2196.388172	2099.792684	2619.573776	2238.293045	2611.734023	2447.537919	2071.927928
2.80_211.0216m/z	211.0215542	2.796916667	neg													715.9377819	799.6619304	786.0911341	989.1020401	1143.137183	317.3977392	722.9521225	1699.287304	559.0113499	270.5749198	685.2751998	994.2247882	599.6096763	679.0890343	1009.036106	702.209257	861.7203974	898.3124293	614.6893298
2.80_233.0037m/z	233.0036953	2.796916667	neg													675.0868204	594.9089932	661.8438299	795.1428154	982.9236891	313.9636371	706.4515551	1511.613792	565.6206375	186.2940228	602.335496	769.3804419	558.7468774	493.5306435	871.5118847	655.2848537	728.9182613	768.1011811	476.1870526
2.80_273.9031m/z	273.9030853	2.796916667	neg													1653.229533	1907.972677	1837.331438	2041.574993	2044.759675	2033.708498	2164.838227	1971.377749	1900.150063	2184.098404	2321.575244	1837.698396	1964.363766	2051.207442	2205.069511	2026.109632	2026.113279	2054.659204	2090.030954
2.80_300.9917m/z	300.9916967	2.796916667	neg													478.5679481	405.1260754	405.0796667	432.061474	539.5566926	212.0387687	429.9762307	1029.600905	398.2417526	97.64216056	367.1993977	397.4763086	376.0153261	392.6897196	529.741164	448.4932286	457.2451852	460.1205757	244.1599011
2.82_129.9514m/z	129.9514014	2.823766667	pos													327.2908394	270.6008464	206.2522064	97.42233682	167.8987419	165.1640158	74.33318452	319.4946839	238.8365	360.5616639	0.000297236	243.7049338	197.280626	233.0486745	416.5503697	235.5059715	88.91576851	365.3980026	184.0757485
2.82_194.1153n	195.122606	2.823766667	pos													20016.94437	29173.07675	23430.92984	18548.93125	25538.35429	22452.24792	31010.79307	30556.11502	28040.5136	19985.81256	31329.41453	36495.55264	33298.79066	30436.05763	26648.22212	29384.5454	20473.69411	23489.66562	30972.40039
2.82_240.1803m/z	240.1802813	2.823766667	pos													54539.55746	72769.64626	61778.10145	50712.09011	67184.74253	55714.18943	76027.52926	80030.28809	71991.73893	53812.90015	79247.92287	95805.9249	81022.84736	78997.68796	68389.40283	74655.82697	51635.40751	60530.21234	77665.12501
2.82_281.1128m/z	281.1128341	2.823766667	pos													3100.28423	3889.533633	3465.151631	3909.182703	3755.80452	3897.52328	3311.195536	3020.652476	2424.355666	3499.619318	3397.333095	3745.890773	3509.551975	3693.886451	4058.364223	4161.469064	3933.139081	4170.861795	4473.917379
2.82_342.1305m/z	342.1305226	2.818566667	neg													1112.195838	1050.381432	1193.763249	698.6412852	1106.197016	1348.002773	975.7178243	1186.28793	790.9256303	960.7976831	861.8923911	1754.468873	1114.061548	907.1984672	739.5672531	746.943894	964.6477658	932.8421359	1346.334575
2.82_376.8858m/z	376.8858243	2.818566667	neg													4963.913214	4279.026705	4324.164806	4498.503283	4308.354472	4353.63025	5686.275487	4357.09184	4488.1312	5112.93519	5681.179822	4477.437401	4443.354921	4654.692283	4341.881429	4600.881269	4652.066454	5274.848491	4513.625141
2.84_191.0186m/z	191.0186198	2.84015	neg													753.8785407	589.7354461	504.1530914	440.1752538	397.5055001	432.9748451	501.3661783	1316.149765	1527.879198	981.8523714	470.7031865	721.5768265	405.0615044	618.3354206	482.3205698	457.375887	625.6385424	400.0553744	327.5922467
2.84_206.0120m/z	206.0119994	2.84015	neg													3276.969021	3108.560232	3195.553823	5204.137442	1703.822373	3906.652236	2815.792095	5840.460568	5081.479433	2220.658369	3473.42835	3289.686181	3219.890688	2881.466235	3225.77629	2948.948506	3324.688942	3943.786206	3982.703794
2.84_221.9021m/z	221.9021439	2.84015	neg													2963.813412	2394.406112	2747.536885	2801.72701	2720.816829	2857.8828	2687.254194	2587.980324	2676.988303	2661.665764	2689.899655	2580.086451	2727.086677	2689.516538	2614.496657	2791.787239	2918.468301	2595.702183	2592.794814
2.84_274.0002m/z	274.0002497	2.84015	neg													1250.823207	1302.974165	1173.07815	1901.796351	620.2666095	1454.185063	975.8770382	1940.928595	1836.385202	789.568484	1289.581395	1141.403322	1197.586649	1099.193057	1054.833014	1036.015315	1342.174545	1525.629491	1325.897703
2.84_380.8722m/z	380.8722241	2.84015	neg													332.7098545	396.5336915	306.1999549	542.1769894	722.5411768	427.7564303	381.3105336	335.4718459	293.2188619	574.3619417	556.4157699	288.3327606	345.1034057	547.4859383	418.8459796	264.6759018	250.235892	595.3896457	501.6321303
2.84_542.8219m/z	542.8219128	2.84015	neg													748.9158781	949.3508484	929.3285128	1098.165321	639.2652305	920.351568	887.7257374	1009.163095	850.3640188	897.8214005	1168.169697	1306.489711	943.3515502	699.4287938	821.8588067	824.0293437	1193.523777	1179.062211	921.9569422
2.86_107.9507m/z	107.950731	2.8621	pos													6908.602014	7262.283848	6524.32864	6195.173496	6454.816204	6209.001759	6251.064245	6419.690044	6289.329954	6349.764796	6117.766401	7350.66347	7332.878011	7143.595356	6560.138341	7192.029397	7336.124734	7375.777344	6332.704456
2.86_145.9543m/z	145.9543342	2.8621	pos													1344.261444	1625.470191	1324.515223	1367.034557	1434.626743	1276.268292	1360.382838	1212.581932	1368.306234	1368.584261	1382.522978	1571.329013	1426.673287	1455.68884	1382.404354	1498.039788	1441.156305	1424.455041	1372.45584
2.86_186.9924m/z	186.9923868	2.8621	pos													4406.102803	4426.402661	3687.17178	4155.556124	3880.526872	3689.844942	3612.871411	4268.790201	4814.90369	4731.750439	4292.126159	4271.843106	4042.75471	3734.852199	4254.645852	3539.488687	3740.31293	3343.161901	3343.255362
2.86_205.1313n	206.1385891	2.8621	pos													2122.969403	2106.945797	1696.52602	1130.761361	892.3150412	1171.222002	1441.675492	1106.860059	1104.455766	1011.66172	1167.434164	1263.419525	1103.768912	1697.693703	1947.699652	1057.481669	8988.161627	2693.824061	1856.003357
2.86_231.1588m/z	231.1588451	2.8621	pos													4242.339273	3972.449567	3652.896484	3766.391599	3388.312019	3637.731314	3841.39345	3830.837736	4026.072433	3915.134029	3944.665135	3502.415359	3554.072672	3671.608831	3687.333621	3081.009009	4192.963713	3576.440651	3485.493491
2.86_341.8899m/z	341.8898588	2.861183333	neg													7108.705792	7578.016402	6838.922344	7946.404526	7104.577069	6802.812334	8043.860721	6897.338867	6820.060822	7235.988842	7728.100565	7040.607631	6897.87632	6623.112948	7561.608856	7409.911643	7295.459427	7603.837478	7165.950877
2.86_588.8245m/z	588.8244873	2.861183333	neg													23640.0995	22694.52135	21912.9731	25187.25705	22757.81444	22346.10502	25795.81942	22037.84801	22041.1216	21704.27294	24583.62376	20957.17282	20687.44713	23775.89028	22396.8875	23777.57607	23487.97875	23907.6684	23107.5349
2.88_199.8985m/z	199.8984906	2.8824	neg													1662.111342	1771.000832	1457.466313	1580.574367	1643.146129	1535.568922	1806.31911	1732.895478	1468.830317	1555.074237	1587.880708	1575.048929	1560.486706	1525.21439	1698.861441	1625.735815	1679.782821	1615.565305	1599.733481
2.88_203.9359m/z	203.9358906	2.8824	neg													5615.264122	5438.7301	6048.26919	5731.754338	5761.335848	5749.559587	6158.098807	5736.33586	5124.712172	5726.657667	5949.972038	5640.188913	5761.00693	5820.203073	5609.044964	6290.328666	6118.190223	6682.388178	5354.749318
2.88_235.9597m/z	235.959673	2.8818	pos													3693.522953	4644.94222	4502.99627	3977.486763	4029.748832	4361.448025	4014.354618	3357.9301	2862.792706	3363.777128	3872.906146	4091.929588	4282.243839	4412.522118	3935.643823	4285.206024	4808.859463	4554.523281	3898.413061
2.88_243.9775m/z	243.9774597	2.8818	pos													4637.126437	4799.151592	4447.148979	4472.743149	4105.696715	4490.707682	4457.748992	4555.108454	4112.605535	4263.749711	4594.886879	5185.557617	4520.315657	4960.441004	5032.58183	3750.313639	4582.312335	5038.162503	3949.70763
2.88_401.8521m/z	401.8520649	2.8824	neg													8414.274693	7494.362836	7665.194468	8366.7444	7630.066036	6854.058715	7892.468749	7450.296653	8201.755497	8165.84253	8899.584924	7729.045093	7715.758965	7807.918692	8034.077971	8798.258564	8000.151904	8404.306371	7962.078759
2.88_676.7959m/z	676.795909	2.8824	neg													6765.885897	5261.36377	6237.004502	6838.014501	5557.821846	5856.429046	7435.965541	6381.891511	6071.996636	6330.108918	7295.871448	6144.836577	5458.532392	6154.548924	6269.057679	6364.437548	6532.425242	6266.447566	7019.459097
2.90_165.0293m/z	165.0292628	2.903716667	neg													190.6899458	234.02249	226.7863464	91.46882038	102.8078231	79.53439232	32.14865382	1075.172247	1415.213502	414.6128343	36.99901855	51.67137485	146.3716567	0.000297236	98.60230375	18.40400821	33.16513608	88.48975042	57.23153345
2.90_473.8357m/z	473.8357026	2.903716667	neg													10423.89705	7806.688313	8114.271806	9208.513362	8264.398147	8993.106161	9318.219058	8380.840392	8564.451982	9094.422019	8755.374508	8341.275503	8546.747331	9828.334988	8936.188883	8810.325341	8894.857835	8531.947575	8436.929141
2.90_480.8707m/z	480.8706534	2.903716667	neg													7283.861754	6090.992959	6950.270257	7277.013752	6670.284284	6986.026872	6529.334609	6010.078158	6505.302497	6035.209484	6801.204212	6207.887981	5505.89281	6835.254863	6589.02046	7361.291149	6661.768891	6365.327567	6042.538854
2.90_547.8552m/z	547.8552166	2.903716667	neg													34806.96675	32904.08996	33019.10493	37573.02621	33070.71862	33216.8993	36038.23051	33483.81509	32428.26007	33575.09887	38536.04686	30740.12559	33100.46638	34482.75338	34619.91718	36742.01754	35714.84093	36882.64444	33403.06213
2.92_125.9642m/z	125.964192	2.92155	pos													11410.97025	10055.75986	10905.49519	11057.16256	10398.3279	10676.69479	10669.83437	10964.52856	10728.64809	11006.64694	10956.93694	11126.45709	11164.09981	11366.55205	11103.0861	11463.8727	11274.91881	11056.15104	10163.94966
2.92_156.0654m/z	156.0653829	2.92155	pos													6262.965146	5363.711154	5265.328059	5776.088865	5515.1173	5461.103713	5765.17654	6148.940259	5560.444725	5576.742076	6080.355366	5758.60781	6012.21047	5886.490684	5819.794596	5949.799439	5666.980877	6292.807225	5370.203951
2.92_304.8937m/z	304.8936921	2.92155	pos													42522.34738	39033.09254	43039.95595	44407.51977	41578.78737	44720.01616	44228.69432	38432.1974	41142.43939	42235.37871	45097.11136	41312.21936	43221.75413	42392.98114	47539.87446	46142.70733	44976.2715	43901.02529	41023.56753
2.93_150.9815m/z	150.9815257	2.9252	neg													823.4879143	773.4047116	838.8782676	915.8232149	834.8521804	775.3219342	1033.486268	834.850544	786.9438998	863.6158973	935.1302895	855.8122116	874.9007952	885.2873341	888.4396678	863.6434469	898.403792	868.5662572	822.7934375
2.93_202.0323m/z	202.0322769	2.9252	neg													175.322985	321.1614794	241.5973186	221.1166646	367.5600964	214.430134	111.5644934	1129.668437	848.0760823	245.9284797	207.4903099	486.0584767	98.25548061	91.96932994	44.59299821	55.27745617	149.2548373	111.9304431	126.9010378
2.93_321.0177m/z	321.0177179	2.9252	neg													632.7094142	767.7901255	646.8999622	528.5680474	771.7495933	737.4527126	517.649706	2581.475399	2221.209294	693.4469726	568.9372161	1301.599223	410.3907409	291.2994848	344.4152233	166.111267	415.2364399	398.78874	273.0307853
2.93_501.8631m/z	501.8630747	2.9252	neg													30938.53369	29483.92556	30630.15103	31947.27199	29338.77177	31079.15856	32265.92343	29889.99489	28702.38146	30918.98459	33618.85368	27273.59749	29977.03012	30405.24264	30173.19126	32562.1815	30672.53762	34262.51874	30525.19627
2.94_146.9612m/z	146.961247	2.940033333	pos													4651.278318	4630.70755	4024.298124	4195.236905	3763.359015	3876.315249	3847.583511	3942.239698	3911.770436	3772.068543	4145.404923	4437.861946	4481.428026	4414.696397	3609.932018	4324.763658	4160.397078	4489.636663	3861.262029
2.94_213.1115m/z	213.1114528	2.940033333	pos													1734.623623	2137.704657	1379.161388	1349.027943	1730.368626	1030.867037	1297.082573	1896.386214	1786.884065	1291.323995	1315.300052	1661.673165	1304.276853	1516.248116	1157.803963	1196.836563	1792.313718	1797.683544	1413.524012
2.94_227.2367m/z	227.2366582	2.940033333	pos													10042.05356	8553.765426	9104.926834	9236.972205	9164.101658	8845.944584	9537.037814	9356.028927	9410.991282	10174.19357	9945.632131	9185.947765	8817.388804	8953.385478	9102.388757	10855.54485	10525.63731	9602.805259	9052.123394
2.94_436.2286m/z	436.2285915	2.940033333	pos													9432.069286	9606.92829	9598.916114	12890.77174	10276.21458	7675.624899	9317.311554	22277.21864	9661.592759	6367.38494	8522.512859	9471.291019	5724.542216	6375.431814	7815.53506	7976.901996	7612.643516	7449.474654	7031.069561
2.95_117.0542m/z	117.0541563	2.946416667	neg													8741.098513	8495.87962	8764.70054	7278.680687	9113.446578	7862.182873	7481.487386	18441.47722	16094.28889	8359.083539	7730.61275	10399.01863	7612.176372	7741.399578	7063.923925	6423.975556	7588.554551	7770.21342	6447.447896
2.95_185.0419m/z	185.0418982	2.946416667	neg													1664.971708	1659.220441	1774.993546	1161.089653	2007.636139	1467.857677	959.0085002	6158.757208	4982.54874	1387.334381	1189.945263	2542.840683	1012.262369	999.976561	644.9666026	646.3868635	949.7081281	1126.233012	616.7023725
2.95_434.2142m/z	434.214159	2.946416667	neg													1796.822731	1733.4245	1944.579198	2212.271781	2525.939758	1881.523894	2068.711216	4725.219046	2225.761779	1507.908467	2101.010109	1657.345352	951.6742825	1679.528506	1495.700574	1508.528689	1314.384611	1588.601271	1389.11221
2.96_318.1908m/z	318.1908493	2.9598	pos													5095.46551	4757.188376	4929.714012	3814.798929	4888.105328	9683.011745	3473.004255	7956.346235	7299.28692	6495.546141	3989.874427	13542.64375	1725.261802	1689.044259	1680.018809	3264.131551	2047.578535	1739.579186	2365.38884
2.97_311.9360m/z	311.9360264	2.966683333	neg													445.1578263	698.8248497	506.8431842	499.9776439	670.8262559	440.6053694	494.5291388	4066.873152	4139.750121	205.2799987	324.7704106	862.1185176	577.7128317	427.5387596	338.4529013	388.3588121	507.7521975	547.0571845	535.0126727
2.97_313.9354m/z	313.9354034	2.966683333	neg													2967.57573	3181.219151	3124.043341	2836.920301	2525.325634	2059.381771	3094.043879	7895.900696	8688.161986	2356.131934	2721.596381	3212.918048	2655.56505	2470.748534	2543.449395	2991.566414	2551.774939	2854.045786	2648.54514
2.97_350.9282m/z	350.9281967	2.966683333	neg													2090.454793	2069.973885	2071.906299	2247.513131	2185.983383	2267.156688	2498.170352	1986.499519	2280.156778	1966.94806	2574.043115	2241.617113	1954.848902	2022.625347	2302.688801	2056.381655	1931.052121	2224.84143	2000.10011
2.97_381.9227m/z	381.922731	2.966683333	neg													796.0748042	856.2955535	960.1807785	934.8753548	794.2099104	864.8081764	889.2341704	1769.10568	1834.6407	565.7862512	1086.628107	913.3041825	740.7671832	1003.750538	888.7252849	773.0177698	982.9161779	907.6858669	778.2160873
2.97_440.0591m/z	440.0591159	2.966683333	neg													2450.97565	2230.220841	2402.779398	1541.216518	2307.427086	4988.106667	1454.417398	2510.002489	3280.435773	4397.883808	2254.731471	1874.44147	2395.402715	3143.417311	2303.841544	1849.764042	1834.432806	1969.095575	2919.937265
2.97_467.0778m/z	467.0777545	2.966683333	neg													2018.617025	1780.69446	1951.966903	1330.853968	1703.631632	3981.037945	1204.880902	1975.09409	2966.252599	3528.588757	2233.439784	1310.947181	1426.55674	2376.817994	1979.521187	1277.514658	1531.991592	1425.553219	2500.488358
2.97_473.0769n	472.0696293	2.966683333	neg													12485.76055	13068.17211	12892.96352	8659.536152	12682.17525	25302.74077	8444.861023	13083.28411	18078.29639	21538.17712	12017.40424	8608.403789	11175.97132	14771.8994	11019.2704	10013.16579	11087.52237	10749.15043	15423.80291
2.97_482.0251m/z	482.0251154	2.966683333	neg													1596.74786	1232.482056	1575.511459	858.8961156	1434.803359	2884.296023	760.8667851	1234.891702	1629.281222	2234.51012	1256.567956	810.2674646	961.8242732	1648.110908	1252.463064	729.6882479	1050.414718	1193.111356	1616.034888
2.97_508.0462m/z	508.0461857	2.966683333	neg													791.0601432	757.9054306	670.3265358	530.1859667	669.4671997	1309.314361	423.8769429	805.0357096	1338.991828	1538.078418	771.7857485	516.1226161	693.6917958	921.0420404	727.8317561	524.5053906	524.2384574	596.267345	894.2879979
2.97_540.0573m/z	540.0572921	2.966683333	neg													7352.088588	7293.332796	7700.385175	4826.050618	6673.413382	14756.28585	4788.224379	6895.257476	9386.012841	12032.52454	7120.203158	5209.480695	6013.76357	8424.190465	6669.685568	5592.260063	5913.443615	5925.22783	8553.274828
2.97_608.0449m/z	608.0448911	2.966683333	neg													3798.214199	3864.732507	3724.129176	2803.055139	3474.225861	7676.156551	2584.842619	3910.519767	5449.540353	7362.522187	3236.066948	2359.902054	3469.463607	4518.815863	3824.515983	2488.694871	3200.109734	3283.418634	4700.393793
2.97_676.0318m/z	676.0318019	2.966683333	neg													2110.180037	2623.879568	2576.065188	1316.755564	1866.910708	5021.986693	1329.525984	2144.059367	3308.91333	4730.112584	2495.585771	1066.814931	2130.895929	3080.284299	1764.81557	1644.382696	1720.664257	1681.498966	2537.071097
2.97_744.0196m/z	744.0196405	2.966683333	neg													1300.500204	1632.347808	1373.219958	1154.039257	1483.896775	3326.474123	845.2920776	1528.10857	1990.677135	3424.690519	2045.651844	1147.427258	1385.340358	1742.952167	1660.070046	1322.70035	1234.602781	1082.77451	1952.441902
2.98_210.1698m/z	210.1698243	2.979516667	pos													13660.73613	14667.74333	13842.76871	20513.12677	17252.87432	15577.27357	22100.57824	19275.77709	19162.93298	17526.783	21820.36271	24289.40933	24068.43098	18583.54611	22502.51119	19339.8224	18604.74464	19447.48059	18212.64887
2.98_272.2661m/z	272.2660849	2.979516667	pos													49504.72625	41780.45687	43908.09112	46763.68317	43465.74436	47617.43156	47530.80927	46764.6178	47736.20765	50420.7853	48989.74925	44280.28592	40136.57033	41478.0771	46468.59391	46760.5061	45743.27283	46788.36543	42476.0994
2.98_386.1197m/z	386.1197048	2.979516667	pos													3944.621731	4382.166658	4575.173128	2929.560619	3822.824984	8137.795161	2337.260879	4087.279383	6052.000096	6338.119642	3906.86552	3045.20622	3753.87165	5275.009888	4375.711797	3621.13999	3513.677188	3961.139833	4404.395348
3.00_113.9606m/z	113.960621	2.99955	pos													561.6123817	418.8510572	351.689364	390.4217447	380.300628	374.3129314	490.4172478	395.7657378	522.9536326	540.7583518	548.2096725	624.7746662	498.8468069	623.5596645	540.9297358	693.9906149	634.6036646	471.8753103	262.2921785
3.01_224.9622m/z	224.9621685	3.01	neg													1080.086914	1221.885085	1160.887581	1292.308016	1199.813117	950.474139	1328.301061	1261.753176	1377.778728	1077.773579	1199.900789	1256.12348	1194.277172	1229.641575	1180.603894	1200.510393	1178.741254	1272.505298	1330.487028
3.01_273.9030m/z	273.9030291	3.01	neg													1692.733957	1980.47451	1829.540524	1931.105087	1795.366086	1474.806327	1838.202728	1993.524017	1590.755769	1645.06419	1579.807507	1794.483277	1745.557812	1738.534945	1742.172778	1865.452747	1711.309741	1828.373452	1753.841653
3.01_334.9112m/z	334.9111789	3.01	neg													18022.80805	16723.66089	17600.54294	18776.97104	18174.38442	17454.3215	18635.41957	17982.12512	16817.54308	17642.32169	19046.71797	17852.3743	18636.06598	18232.8911	18636.8495	19788.6849	17908.21454	19691.45109	17242.78801
3.02_236.9067m/z	236.9066733	3.021	pos													7519.021966	6249.54439	6400.206307	7232.757396	6829.868951	6759.010319	7393.025559	6970.987944	7011.922475	6271.338064	6559.76851	6917.80645	7045.342495	7179.527272	6721.980411	6247.96793	7919.132983	7531.020393	6809.242138
3.03_174.0582m/z	174.0582293	3.031216667	neg													544.2277493	472.2813476	519.3350765	417.4031864	580.8059237	497.5237516	518.1326127	530.9225757	540.8750523	573.4593747	485.7267867	566.2731823	546.410845	541.858717	446.7550924	482.1328331	523.1387848	424.3543673	387.9441455
3.03_233.0037m/z	233.0037317	3.031216667	neg													385.5066179	458.5239495	471.5668912	239.4046202	444.6635245	284.4828223	277.1746274	2758.835776	833.9733201	312.2851932	225.0224447	269.6194798	217.3906163	363.5422683	281.3142215	138.907671	284.9717875	164.5382904	280.8564892
3.03_386.8592m/z	386.8592374	3.031216667	neg													30779.47779	26535.91724	28645.80559	30807.07519	27831.49526	29249.08546	29457.13553	27632.94508	27144.52803	28572.88339	31109.94362	26412.42261	29408.00819	29222.51307	29222.94054	31724.02758	29059.80401	30110.97227	28060.65062
3.03_520.8368m/z	520.8367552	3.031216667	neg													35311.27802	30464.73542	31973.68986	35599.00861	32234.77611	32527.4578	36610.46951	32055.99418	30464.33786	33283.7608	35437.71827	31110.65591	32153.02083	33158.0183	33370.01339	34562.8842	35337.76799	34536.40386	31412.02924
3.03_595.8591m/z	595.8591395	3.031216667	neg													12874.86907	13128.23638	12925.10407	14480.89607	12960.2783	13269.83211	14472.10066	13322.49155	12723.56222	13677.36162	14966.12292	11946.59179	11432.83044	14537.23195	13852.0447	14040.93758	12858.18981	14213.00787	11293.91642
3.04_155.9669m/z	155.9669188	3.040566667	pos													1561.326004	1378.796599	2061.925855	2311.715628	2195.103814	2085.61971	1674.268015	1386.680331	1546.937508	2037.731783	2455.768577	1293.221108	1557.789023	1984.248254	1651.982205	2064.808967	2051.483379	1807.305276	1766.066543
3.04_176.0738m/z	176.0738252	3.040566667	pos													8278.094007	9815.302723	9159.54519	7259.37798	9430.425016	9209.107409	9992.72657	9742.012027	10539.61294	10490.81812	8262.491015	10345.56153	9994.475798	10228.95222	8883.576827	9294.817356	8857.274644	7581.064645	8110.260636
3.04_234.1334m/z	234.1333775	3.040566667	pos													10742.15161	8966.540203	9199.126019	9448.636358	9682.885886	10476.57595	9615.771965	10969.1103	10093.72428	9434.122377	9443.245027	9933.85601	9483.15772	9462.869856	9248.831122	9362.558163	10333.14203	10528.95836	8923.990099
3.05_116.0701m/z	116.0700946	3.0519	neg													265.5164922	296.0015057	340.3464564	356.3564204	318.4741318	279.3329545	273.6441732	437.032174	268.2309589	276.2017046	230.530447	289.6862427	263.203403	276.3480952	293.1118453	263.1069117	305.3044047	308.3552766	329.3009477
3.05_184.8887m/z	184.8886691	3.0519	neg													1096.75825	1223.507669	1103.696097	1138.618757	1138.287655	1084.357715	1177.645791	1171.153647	1333.424914	1166.637202	1149.367996	1153.096249	1080.145028	1217.960539	1214.142294	1111.013363	1125.87809	1125.92496	1146.383929
3.05_230.8863m/z	230.8863153	3.0519	neg													2498.649257	2639.030864	2559.345251	2737.240256	2449.64377	2478.823536	2663.053042	2628.641162	2565.929221	2477.945296	2702.919953	2333.504723	2715.769769	2811.041298	2489.664343	2878.11146	2597.027067	2588.174604	2536.741931
3.05_300.9916m/z	300.9916444	3.0519	neg													302.6017274	323.5605031	408.3825674	140.5422613	213.7236941	247.4981621	41.20152576	1919.84821	720.9241473	192.279361	86.32622662	179.6953162	277.0241483	211.949026	101.89318	52.59987362	135.823367	44.98564092	172.0517468
3.06_143.9627m/z	143.9626537	3.059866667	pos													929.5179888	673.3772465	1146.548401	1472.675822	972.4403415	1174.606427	1059.922895	1009.982762	1441.595643	669.6389501	1398.331221	719.4651019	538.6095348	958.5312648	932.2768049	762.7898182	915.1911413	1228.100083	892.8529443
3.06_187.9991m/z	187.9990975	3.059866667	pos													1405.12777	1486.918045	1329.851719	1333.946715	1396.805603	1308.32006	1659.088044	1274.819443	1194.431887	1524.534546	1808.664898	1426.99323	1474.755655	1681.939369	1850.50088	1528.048253	1660.832892	1575.277416	1270.398367
3.06_287.2213m/z	287.2212853	3.059866667	pos													3546.381585	3518.942929	3356.698608	3435.147682	3167.649806	3841.741029	2806.486111	3274.534366	3551.734056	3072.652299	3452.187819	3334.908036	3185.925769	3558.109342	3518.427572	2617.534009	3239.266513	3841.440698	3320.743442
3.06_299.0614m/z	299.0614184	3.059866667	pos													3535.692357	4234.663607	4348.669819	4124.644936	3887.966622	4378.779871	4182.389664	4113.588081	4759.256389	4523.214687	4246.251319	5019.665736	4267.242844	4499.720088	5030.114085	3586.097788	4654.427712	4003.231967	3811.887362
3.06_344.5352m/z	344.5352044	3.059866667	pos													1014.566859	1082.609644	879.9944458	1055.959295	984.9404313	1436.237437	956.2018824	275.0640239	526.0028867	1096.824073	1777.39555	123.6094606	278.0907983	1377.133627	506.712916	781.0989915	868.692091	1096.301623	1356.018926
3.07_191.0187m/z	191.0186561	3.073216667	neg													608.9610765	619.3175763	671.6993401	443.5123359	405.4308593	329.5065255	469.6826852	1236.154278	1308.603869	963.2755474	472.9433458	749.1166353	459.6557251	621.0998313	354.5844736	445.6783206	551.6958952	370.5429998	388.0084529
3.07_195.0499m/z	195.0499473	3.073216667	neg													566.1911055	526.3043487	470.8275964	612.5392171	541.9166172	514.6269813	532.9028273	574.6986829	550.0510232	520.4018226	582.9811737	543.2737485	601.551205	535.7248174	570.3356186	580.6490701	593.288172	546.9998474	511.627538
3.07_246.9445m/z	246.9445026	3.073216667	neg													3049.134828	3071.270059	2824.985184	3153.00238	2913.434891	2371.393081	3143.232217	3234.876193	3237.338961	2855.072586	3090.61593	3132.33054	2865.514951	3190.30093	2841.561554	3195.970726	2808.491056	3019.672773	2695.390811
3.07_403.8492m/z	403.8492184	3.073216667	neg													9056.574017	8375.257731	7895.895758	8097.286127	7777.962889	7871.305774	9018.438914	7976.658299	7797.345076	7974.606705	8200.95123	8056.361481	8212.793559	8436.248227	8696.502314	9188.816652	8497.114355	8647.312969	7557.018713
3.07_453.8515m/z	453.8514512	3.073216667	neg													12919.12307	11611.69618	11793.90382	12783.13449	11734.7864	11560.89449	12916.15671	12123.9844	12189.59172	11850.68731	13687.6746	11768.03681	12098.10822	11239.90289	11736.26509	12950.74207	12089.94256	13311.43604	12011.77568
3.07_615.8419m/z	615.841893	3.073216667	neg													27404.83659	25716.36049	26871.95156	27015.90764	24487.22672	23862.4577	28988.68594	23783.77202	25457.20648	26226.24153	28227.94756	25221.71112	25900.93733	25507.5329	25578.05976	27779.90388	27413.38959	28873.19722	24135.52216
3.08_638.2147m/z	638.2147072	3.079566667	pos													100701.5546	73976.00182	91113.90536	96547.02849	89792.79487	90352.65327	89218.41334	94818.04049	96827.84615	101287.6265	90687.08498	76313.80454	72633.25505	83985.38197	85495.64807	94813.03324	85651.41759	94956.91116	85117.46788
3.09_180.9337m/z	180.9337333	3.094483333	neg													3562.916383	3703.237609	3716.844722	3981.98863	3704.989585	3449.530244	3608.073856	3771.775897	3924.490607	3837.872859	4084.154369	3586.794245	3562.08194	3847.946493	3824.301036	4236.571144	3937.525608	4064.819888	3608.480056
3.09_194.0448m/z	194.0448144	3.094483333	neg													1122.442248	1191.051045	1059.084464	1647.961331	1293.203225	1174.334476	1315.888729	1438.709396	1589.52669	1613.118262	777.1423311	1647.638793	1108.792195	855.0271951	1059.894213	889.0332565	978.29541	770.5116873	1731.629603
3.09_244.8879m/z	244.8878907	3.094483333	neg													2593.851102	3021.286236	2992.038089	2853.589311	2460.682495	2746.990293	2741.673952	2831.866219	2412.111003	2702.258667	2967.65479	2687.480396	2938.72345	2366.565647	2882.948984	2931.251469	3028.120977	2943.502984	2539.878435
3.09_378.9181m/z	378.9180503	3.094483333	neg													7738.14148	7705.345751	7888.076358	7768.284418	6791.321342	6508.817215	8050.021367	7876.470878	7663.631466	7207.676975	7781.886149	7128.954786	7235.633145	7906.798643	8002.191707	8026.969024	7490.487116	7751.464773	7701.163098
3.09_444.8906m/z	444.8906371	3.094483333	neg													5853.001947	6342.251273	5912.163352	6592.203867	6820.204557	5492.896892	6630.518708	5797.354478	6178.159757	6378.074066	6346.927383	5734.056514	5593.06476	6170.560975	5980.970088	6633.722985	5900.254485	6246.788246	5759.773187
3.09_537.8268m/z	537.8267608	3.094483333	neg													14154.38269	11970.08856	12595.08884	14074.18551	13250.68657	13121.71925	14630.75524	13086.54801	12075.11298	14353.63314	13981.97017	12746.24005	13363.169	14449.84419	13370.10727	14682.58867	14860.60993	14683.06218	12897.75716
3.09_608.8088m/z	608.8087787	3.094483333	neg													36835.22615	28580.09992	29317.54051	31433.85083	28250.2642	29372.70975	31966.0659	29512.4449	29034.29108	28472.18493	31488.25434	30739.38337	30265.23901	31514.36174	30682.06036	31734.71541	29711.23176	33697.07573	28886.50991
3.10_107.9507m/z	107.9507314	3.09895	pos													6242.443514	7637.436565	7300.496244	7079.068346	6437.26279	6695.111811	7031.251138	6645.548248	7385.310196	6894.767295	6730.229469	7946.559014	7826.90606	7549.610752	8376.835415	7938.808858	7025.353191	7586.734394	6678.630729
3.10_118.9427m/z	118.9427356	3.09895	pos													1476.980717	1423.010462	1604.665512	1657.139959	1483.382126	1765.825125	1407.675457	1429.70739	1612.968769	1426.088244	1575.559794	1730.898099	1569.144995	1610.339309	1951.654956	1237.140421	1455.958055	1647.088094	1456.719717
3.12_111.0532m/z	111.0531635	3.1174	pos													1135.875056	1784.192873	1712.560816	1781.242041	1592.938359	1665.128699	1685.231134	1679.002203	2085.678625	1736.209483	1762.069587	1888.348641	1729.148552	1938.341827	2146.409573	1692.745818	1810.027633	1719.131437	1687.888522
3.12_227.8808m/z	227.8807541	3.115666667	neg													4872.942111	4889.971791	5329.744946	5266.07399	5216.927499	5115.454021	5337.26079	6075.060504	5659.799265	5267.698461	5696.412104	5407.886731	5455.394282	5059.230299	4921.084438	5679.715304	5067.815034	5647.528567	5040.493322
3.12_313.8805m/z	313.8805294	3.115666667	neg													7072.591839	6079.833522	6866.01064	7674.453277	6562.727766	7066.073493	7412.908979	6853.355086	6711.721109	7240.945102	7238.570632	6600.825952	6955.042127	7224.861974	7331.795301	6887.818533	7868.275274	7675.161724	6894.686662
3.12_734.8284m/z	734.8283862	3.115666667	neg													29512.48657	28567.19509	28880.49533	32121.98515	28631.96634	28700.35924	34021.21126	29847.93944	28701.64316	28256.51376	32905.57548	27334.49887	25894.3085	30122.7725	29334.71799	30001.90413	29697.68369	30051.67076	29988.62854
3.15_430.1692m/z	430.1692111	3.150516667	neg													1121.567444	930.3129334	1396.262228	944.1018819	1283.688072	2684.228386	856.0588959	2556.44615	1898.885226	1933.511395	1164.004775	2039.473529	601.4359163	322.7723434	324.6131275	544.5011972	394.5325944	566.2481786	572.9643134
3.15_444.8361m/z	444.8361355	3.150516667	neg													9675.981071	8079.840644	7529.681083	7981.72069	7353.051776	8468.38542	8569.557923	8143.14137	7304.263408	7389.601343	9066.373025	7785.791134	8317.735487	8276.047609	8096.412279	8930.136521	8123.120263	8330.280175	8186.567465
3.15_579.8062m/z	579.8061913	3.150516667	neg													7875.193616	6567.716796	6612.495285	7162.236256	6673.070952	6509.96809	7643.086263	6526.506682	5923.605358	6410.644053	8061.828465	6212.066059	6629.091285	8254.730048	8264.35211	8368.762193	7705.169883	7116.776982	6957.771401
3.16_236.9066m/z	236.9065793	3.156716667	pos													5014.523054	5708.093675	6201.626868	5826.792965	5555.776139	6234.993636	5996.78981	5526.219242	7076.687948	5607.552495	6630.244269	6100.009675	5517.76638	5677.102025	6265.137792	6909.694335	5968.072124	5943.777233	5910.776705
3.16_318.1908m/z	318.1907893	3.156716667	pos													51587.4034	56351.22188	54932.653	45299.45778	56932.36262	106602.3424	39070.31173	99708.99872	92869.73255	78117.90743	42893.7454	105270.0959	27125.98437	24044.94688	23159.38394	39662.12839	26962.33774	27266.60865	32710.76203
3.16_408.1601m/z	408.1601053	3.156716667	pos													8122.371645	7195.646817	8003.561279	6972.281271	7672.103284	12017.05677	5409.379436	12221.2686	12338.98169	9904.931292	5861.375103	13183.74688	4262.655484	3279.717438	3621.665985	5103.902912	3782.465006	4770.082532	4907.771468
3.17_142.0318m/z	142.0318432	3.171883333	neg													15.83341311	14.39329713	11.02730465	0.000297236	0.000297236	16.67056807	0.000297236	73.34462268	66.76824309	0.000297236	0.000297236	90.33988069	0.000297236	11.48876638	0.000297236	0.000297236	0.000297236	14.61392517	25.65645887
3.17_230.8991m/z	230.8991303	3.171883333	neg													2316.873745	2383.942733	2309.308798	2457.120712	2470.627446	2252.963105	2535.887383	2560.105463	2260.031627	2381.386661	2593.82161	2200.564823	2345.549297	2266.765451	2357.828336	2693.16158	2343.421198	2700.831116	2317.86011
3.17_336.8586m/z	336.8585504	3.171883333	neg													3777.337178	3356.237905	3372.844589	3269.262944	3249.188566	3235.290466	3341.487625	3362.011211	3205.554935	3003.142807	3068.68693	2837.630351	3020.848791	3839.368425	3224.076384	3543.279897	3346.185713	3556.021474	3449.516434
3.17_472.2410m/z	472.2410101	3.171883333	neg													1314.845718	1616.111489	1577.508213	1464.499023	1745.276438	1692.943551	1511.905578	1474.160495	758.9743217	1346.150365	2109.933908	1417.878517	1910.427312	1614.400895	1617.079262	1730.122174	1451.496334	1733.475762	2225.474916
3.17_514.8927m/z	514.8927382	3.171883333	neg													1701.185832	2156.596218	2130.079467	2207.297599	1832.728375	2476.376356	2574.555165	1980.396142	1845.995033	2265.080332	2540.821465	1854.437217	1956.665869	2739.661913	2031.683112	1910.813175	1916.287019	3061.617313	1992.652681
3.18_474.2555m/z	474.255528	3.17525	pos													9678.97678	11008.08692	9888.524396	10748.11955	12127.49916	9805.555744	9390.489242	8758.296195	6073.47409	9081.920556	10806.15658	9310.924537	11788.07415	10002.89316	11542.07035	10884.10761	9188.872405	10808.94833	13445.1383
3.19_375.8431m/z	375.8430581	3.1919	neg													10536.3911	8823.501534	9061.601067	10149.34421	9495.033058	9551.639076	9481.640713	8600.446361	8310.761492	9185.10816	10154.49353	8970.039033	8942.491477	10422.56075	9505.762452	9991.29875	9284.397142	10199.22948	9056.801351
3.21_199.8985m/z	199.8984882	3.210133333	neg													1784.457896	1588.189466	1553.468675	1804.619154	1685.859655	1820.670558	1677.742054	1735.799344	1460.916633	1718.61879	1730.469806	1696.88764	1724.750571	1912.213538	1760.430543	1789.512791	1696.142409	1897.554787	1532.983432
3.21_224.9622m/z	224.962233	3.210133333	neg													2240.399444	2544.733157	2323.005222	2714.25909	2257.391908	2468.402138	2543.148733	2496.016839	2454.469796	2421.961917	2694.750237	2365.55595	2271.49793	2585.721971	2486.064977	2739.28873	2328.153269	2554.556037	2218.366476
3.21_295.8685m/z	295.8685439	3.210133333	neg													1621.4711	2220.899008	2214.223189	2031.557973	2032.703231	1814.469234	1749.098649	2067.442891	1700.77263	2161.99287	2022.702191	1308.996192	1711.868696	2037.083816	1914.965131	2185.982863	1963.976725	2251.836805	1601.248703
3.21_308.8641m/z	308.8640834	3.210133333	neg													1771.80075	1543.157662	1452.904248	1288.709305	1487.533214	1654.580678	1390.929284	1279.999193	1330.759942	939.3520269	1415.600897	1498.754731	1539.036409	1733.482965	1387.223571	1490.951194	1311.529441	1700.182064	1365.985454
3.21_332.1714m/z	332.1714363	3.210133333	neg													2575.756949	2674.424362	2512.45486	545.5843115	1967.014711	1306.322806	587.1095288	15453.61815	11230.56492	953.8894434	804.9052405	1599.5491	893.8848074	1284.010645	600.6099661	706.0705154	615.3765501	595.2373928	915.668891
3.21_351.9399n	332.9220502	3.210133333	neg													17569.35831	17564.68524	18188.34862	19772.72889	18792.7078	19172.3121	19889.38855	18856.29541	18230.1285	17496.74038	18932.81385	17810.71137	17865.8822	18777.98976	17755.0332	19148.18815	18330.62311	20138.21968	17390.51788
3.21_400.1587m/z	400.1586558	3.210133333	neg													985.6987652	874.6946093	990.3727114	196.8585635	634.7282803	525.5829062	79.24930065	6736.600785	4899.669104	384.0447969	254.5003305	515.725286	234.8779641	410.7422977	161.8277911	203.2811065	163.9212841	176.0322915	290.3803775
3.22_146.9612m/z	146.9612286	3.216133333	pos													5175.162038	7287.212319	6570.949617	6474.594691	6258.467976	5900.15912	5864.159936	5936.781271	7481.798466	5847.120284	6591.155452	7215.44616	6633.848224	6675.871568	7006.447641	7744.744277	6770.19653	6699.960896	6127.904954
3.22_243.9774m/z	243.9774385	3.216133333	pos													4406.157132	4427.424642	4400.589264	4341.440014	3977.804086	4222.514811	4241.775341	4103.898714	4579.33178	3701.57891	4327.472126	4927.54019	4552.773278	4368.540635	4595.763218	5959.310829	4627.996608	4955.858983	4245.77275
3.22_255.2680m/z	255.2679825	3.216133333	pos													24411.33401	22420.69132	23188.37166	24181.28702	24224.9664	24242.69701	24214.46303	25725.0596	25974.93463	24240.02344	24763.42909	22988.22199	22193.27382	22162.92009	25055.42935	23558.54281	25199.89163	25442.39955	23081.07935
3.22_462.1463m/z	462.1462641	3.216133333	pos													24153.77591	25960.38002	21371.36132	22453.68122	23644.18634	24106.03778	24341.9279	20865.98614	21629.94314	22798.44623	21548.43941	34052.24677	26555.27786	27028.55096	26620.82595	26057.02636	25348.06588	22983.39912	20351.39531
3.23_189.0758m/z	189.0757526	3.2314	neg													515.5204341	564.6131	538.7110443	273.8852408	537.2656574	464.5692345	254.8472446	2077.994489	1074.702203	330.062242	253.0781542	371.3610807	285.946237	400.2080063	325.9434131	291.3774425	299.0519897	377.8523569	245.8697982
3.23_314.9322m/z	314.9322469	3.2314	neg													2532.541728	3144.285613	2742.128738	3465.610175	2998.83132	2917.683329	2669.501968	3113.601472	2443.133936	2629.024155	3389.486131	2736.850064	2624.107258	2759.042297	2522.120067	2866.720355	2667.98599	3443.496927	2657.979926
3.23_341.8899m/z	341.8898836	3.2314	neg													1758.808616	1836.486698	1582.012629	1861.900011	1854.742612	2064.409385	1928.130472	1761.359227	1820.879192	1544.417988	1958.251344	1775.285313	1516.537923	2076.638299	1872.451505	1857.418034	1734.18785	2393.425117	1778.520511
3.23_400.9092m/z	400.9091949	3.2314	neg													3637.032674	4214.190796	3984.627853	4189.495501	3867.461827	4655.923955	3991.495738	4026.793059	4155.369498	3637.119324	4489.239033	3967.199305	3694.176341	4823.973599	4140.385262	4241.345076	3927.741703	4515.392895	4137.931703
3.23_411.8935m/z	411.8934826	3.2314	neg													3371.466623	4299.144785	3723.943993	3899.051929	3358.22031	3261.287216	3680.159913	3397.175053	3593.806201	3400.873534	4226.836475	3473.396945	3648.579851	4284.308533	4039.968627	4080.518945	3642.329882	4082.937834	3833.701316
3.24_251.1640m/z	251.1639647	3.2363	pos													13811.39178	13668.92691	13448.30599	13720.62674	13536.85465	13301.62001	13825.6058	14185.45118	15852.69148	14011.32414	13758.52001	14594.00303	13641.44979	14677.77434	15575.51124	15706.83182	13720.90216	14281.87909	13386.38805
3.26_180.0878m/z	180.0878023	3.256383333	pos													4646.299288	5014.775857	5049.335875	5085.325058	4604.639318	5823.949942	4464.485847	3641.660348	4673.669456	6196.731896	5073.137005	5349.498237	4509.005336	4282.009104	4985.87529	5131.821332	4432.514028	4623.846954	4757.542936
3.26_180.1593m/z	180.1592768	3.256383333	pos													24253.68946	24435.58069	22786.71964	22988.06614	22405.74139	23624.8152	23467.71838	22938.3481	25802.89332	23154.11204	24253.18014	33153.91975	25652.97386	25013.89139	27272.46284	25312.72158	24545.6847	24391.62792	21958.6296
3.26_564.1963m/z	564.196303	3.256383333	pos													89888.78618	75618.34451	83753.08545	92262.03356	83079.74254	88718.1566	89656.80942	84177.81869	95275.8666	91068.08645	92115.24398	81946.046	74540.06944	84270.78461	83176.43922	91686.19846	85688.53738	86836.60554	82786.89066
3.28_102.0134m/z	102.0133809	3.276583333	pos													2595.721524	2435.599188	2483.593781	2572.291847	2504.13523	2493.670977	2728.755406	2453.760528	3047.838911	2546.62032	2786.071178	2694.553951	2518.729132	2766.161606	2838.940439	3194.417823	2624.338708	2679.14396	2484.774572
3.28_222.1123m/z	222.112318	3.276583333	pos													2147.554319	1741.712817	2091.482457	2062.36442	1630.502021	1646.018142	1450.81328	2057.940989	2060.989184	1738.831656	1624.004975	2525.389309	1141.318104	1385.92831	1647.129018	2238.400299	1761.79163	2532.116728	1738.654677
3.28_227.2367m/z	227.2367113	3.276583333	pos													18935.19267	17252.68904	18029.1657	18107.52223	17495.02458	17943.97509	18313.2586	18501.23381	20632.43215	18692.00009	18771.82034	18841.49619	16717.13635	17283.29415	19033.76646	19071.72467	18394.8354	17817.52563	16828.66266
3.29_187.0601m/z	187.0601334	3.29325	neg													273.9723878	301.4817192	289.3754416	274.5837144	219.6340812	181.5881928	183.5103516	1490.771398	351.3242752	198.9526876	235.5788683	318.9412157	232.2669249	226.0376296	232.6310813	179.7688441	238.3390384	170.7297561	183.1375585
3.29_228.9024m/z	228.9023531	3.29325	neg													887.8347735	1161.710378	1162.278347	1260.634438	1074.893127	1094.280451	1087.727982	1082.133741	914.0841083	1010.110686	1009.666059	1014.309467	1017.887434	984.483678	1048.106396	1265.565604	1105.415795	1083.685262	974.255591
3.29_245.1139m/z	245.1138677	3.29325	neg													321.023134	362.4145413	306.3066564	442.5003427	482.9945541	1473.03574	300.9351029	456.967409	316.8263283	1079.833786	266.0508104	524.4573855	202.3970658	216.4698165	259.3428148	353.0372395	251.0376361	277.6436548	321.8293928
3.29_270.0958m/z	270.095778	3.29325	neg													710.1120906	657.1966403	783.8930814	700.6623009	1636.600567	1981.689059	753.5093379	125.8630533	221.6737698	1977.920785	876.6765292	201.815375	721.3148873	811.6011622	474.5252661	454.1608805	415.5642078	507.6880114	426.7305797
3.29_296.8901m/z	296.8901105	3.29325	neg													2127.345529	2142.388777	2250.429311	2635.034958	2446.133792	2045.774456	2166.500169	2201.150916	1909.245382	2119.56228	2289.774669	2099.464433	2056.058515	2072.620267	2095.494368	2581.489163	2241.220415	2230.830876	2042.954542
3.29_390.9014m/z	390.9013665	3.29325	neg													9967.362734	9452.236135	9958.403818	10345.5516	9900.250015	10566.47085	10445.92315	9702.126131	9137.553401	10072.31043	11876.99148	8909.044947	10238.95585	10577.18987	9922.058253	10848.95583	10775.79549	11972.91607	9358.979285
3.29_507.8758m/z	507.8758442	3.29325	neg													8048.350787	9297.917824	8592.726679	8940.275436	7800.203279	8413.571248	9096.076159	7759.370207	7258.112143	8347.942911	9752.081517	7598.153818	8573.95252	8408.014304	8352.29069	9317.194193	8845.049721	9397.5832	7822.539422
3.30_274.6465m/z	274.6464871	3.295016667	pos													442.0404371	495.2311751	280.987915	170.5741185	825.8592451	450.6743146	891.1528945	0.000297236	79.17656305	398.8510711	352.9743304	149.3305612	455.0304189	630.4201964	253.227848	432.4356274	246.9342358	225.8902896	468.4707373
3.30_544.0053m/z	544.00529	3.295016667	pos													1574.482427	1585.967651	1603.833788	1229.200423	1780.461644	2521.955349	1733.83221	1010.947951	629.1979366	2066.288443	1179.929264	691.4644383	2332.237291	1996.38818	1219.32888	1722.760832	1236.243828	1952.601312	1105.063556
3.30_572.2698m/z	572.2698423	3.295016667	pos													2315.276788	2897.335573	3826.721033	1780.356644	3618.676276	5118.813591	5015.516174	3457.51718	2334.521925	5882.831527	3212.335907	1320.466124	3681.720856	5162.025431	2973.917884	2576.26311	3234.366975	1391.137206	2139.914647
3.31_159.1379m/z	159.1378982	3.314116667	pos													5548.405507	4895.465205	5434.258349	5541.480384	5583.608556	5526.061609	5501.672732	5203.235034	5772.094351	5285.300988	5566.105743	4989.759429	4633.296573	4520.376435	5559.903964	6033.625427	5598.149415	5052.02219	4301.250315
3.31_164.8942m/z	164.8942475	3.313233333	neg													3605.186945	3711.842605	3922.949112	4141.796009	3856.904633	4264.75803	4026.907464	3952.060745	3582.632397	3833.909068	4154.351752	3675.496817	3824.655441	4224.830296	3857.615389	4139.838923	3874.620611	4117.924666	3812.726012
3.31_181.9776m/z	181.9775567	3.314116667	pos													3812.175578	4467.196818	3698.956863	4070.858444	3545.153348	3971.286234	4028.34169	3936.150271	4895.106073	4591.269624	4547.585963	4853.688742	4432.10364	4376.763243	4652.759613	4157.866622	4019.513386	4282.721891	3643.394304
3.31_188.9852m/z	188.9852345	3.313233333	neg													1428.393065	1510.430883	1483.956962	871.056273	899.7867608	7628.603923	522.044514	702.241461	399.8716496	8373.137802	338.7782484	882.4307789	291.4263069	120.9605217	2515.170103	758.6496954	1438.328949	613.6747554	133.0945422
3.31_220.1178m/z	220.1178425	3.314116667	pos													3286.399993	2746.802757	2916.094659	2847.495552	3249.711905	3492.343526	2601.929876	5322.463272	2834.667752	3266.401957	2539.675449	2457.521265	2780.303131	2447.357651	3225.696298	2983.182462	2732.104001	2639.710376	2776.048848
3.31_401.8520m/z	401.8520394	3.313233333	neg													8507.505268	7364.912416	7503.805093	8818.870401	7732.829412	8423.585047	7869.859405	7756.025062	6975.289423	7752.134911	7780.49167	7122.352022	7859.26247	8740.019148	7892.081025	9013.113365	8409.271337	8399.222616	7744.572234
3.31_448.1436m/z	448.1435913	3.313233333	neg													3344.580271	2912.160261	3393.614426	3665.782927	4995.899371	6341.36015	2948.72867	9159.527641	2966.437602	4376.999105	2875.447665	2079.401131	3329.675635	2423.787393	2413.425322	2695.98801	2457.645294	2395.381061	2971.128889
3.31_544.5065m/z	544.5065295	3.314116667	pos													1138.805062	745.6726348	832.6984983	838.7604643	1095.734037	1241.359614	1510.878647	485.593554	518.8087395	1493.241173	1291.689093	0.000297236	1277.901083	2389.011049	572.8424335	864.1966072	1267.507353	556.6154522	627.5222478
3.31_753.0831m/z	753.0830681	3.314116667	pos													1515.363074	1417.418346	2139.506638	1913.848925	1775.784936	2138.218561	1746.852771	3294.116415	3309.150724	1245.43751	689.8595305	2823.953315	883.4514777	1184.098302	1929.489085	726.8982829	940.9243176	393.6199981	907.9350052
3.31_753.3335m/z	753.3335469	3.314116667	pos													1933.961574	2152.241321	2974.422719	2389.410138	1518.035269	1190.671196	1268.549431	4539.475405	3979.086689	4710.024255	1711.739594	2496.873413	529.4336024	3223.013089	1192.068317	2377.596398	1042.259939	3251.846631	0.000297236
3.31_753.8353m/z	753.835336	3.314116667	pos													1280.622558	1053.382551	811.6641432	888.7017112	684.415759	1173.992528	969.0085565	2271.340543	1166.22641	793.5537017	1083.095955	1870.286644	542.7523381	401.8423609	642.5687576	1494.420938	753.7509489	433.5853205	560.2370405
3.33_147.1166m/z	147.1166394	3.334066667	pos													5041.195162	5099.838886	5005.206527	4578.540864	5695.958477	5468.577055	4724.353332	4821.69465	5084.849614	4979.599333	4410.373432	4256.184102	5262.63922	5052.448697	5102.937949	4787.198338	4841.599664	4616.591582	4609.193278
3.33_205.9354m/z	205.9354006	3.333216667	neg													1545.621293	1398.532086	1625.373658	1721.855088	1563.081069	1556.348495	1558.664194	1599.739166	1284.977663	1577.398192	1768.224036	1433.095207	1487.929134	1550.416631	1501.694761	1832.490849	1572.714986	1281.976304	1497.132645
3.33_246.0802m/z	246.0801972	3.333216667	neg													509.8178086	704.9824174	683.7996709	611.0983224	453.0556373	688.7774754	528.2735101	1061.602628	956.0204553	345.9000813	486.0176091	764.7325155	671.8838671	550.5769301	480.2336467	428.5790732	503.5674566	839.5372547	598.8353101
3.33_318.8712m/z	318.8711963	3.333216667	neg													12588.67082	10765.68181	11750.88351	12034.32946	11037.55217	11592.62749	11892.03748	11372.70067	10942.54109	11325.73681	12881.51734	11078.27136	12016.23014	11783.46901	12100.28328	12379.23158	12213.38711	12800.92096	11270.27331
3.33_458.1793m/z	458.1793352	3.333216667	neg													1768.963009	1690.694447	1586.499207	2886.429738	1589.687523	6995.238818	3113.026467	447.0469992	519.6054102	8317.04622	4465.558014	0.000297236	1160.232778	869.5227058	877.5372591	1296.698736	1160.059174	1786.849187	2794.579908
3.33_572.5168m/z	572.5168193	3.334066667	pos													8205.078249	8931.929713	9966.314237	4255.620045	14425.39627	12333.21021	14827.06468	5978.88529	5299.590204	17757.14753	8575.417925	2851.163616	14531.9129	8247.717026	8182.053165	6338.073931	11269.63344	5207.384263	8480.739854
3.33_572.7673m/z	572.7672773	3.334066667	pos													8997.213441	9315.912295	9840.042068	5537.79207	11693.75063	10735.26023	11941.50031	5277.476053	5886.651493	16700.20755	8180.124106	3458.145633	15262.71916	9814.726712	11350.04507	7425.727456	10562.75596	5321.310999	7847.655252
3.33_573.0173m/z	573.0173397	3.334066667	pos													5112.585059	4644.642439	5704.019061	2748.439463	5925.186977	7300.819328	8598.709528	3818.228217	2387.933481	7371.228901	5447.029152	2120.008966	7711.110243	5292.066023	4443.550299	2211.000435	5227.773789	2294.968422	3769.343014
3.35_159.0650m/z	159.064994	3.352483333	neg													1428.047951	1281.976043	1515.17275	1246.561828	1100.569397	1159.260117	1076.872563	1219.486936	1534.982113	1183.615258	1107.698161	5681.404072	1494.841225	1065.77272	1194.775846	1282.026472	1180.281983	1474.249579	1012.248026
3.35_227.0531m/z	227.0530846	3.352483333	neg													177.079247	254.0382147	199.506258	27.58111734	2.375265168	1.704869218	0.000297236	2.099435691	381.7968522	1.057393053	0.881322581	2835.138152	25.87933576	0.071775437	0.004548193	27.48822581	55.99486491	180.554477	21.36307821
3.35_273.9031m/z	273.9030825	3.352483333	neg													1247.895435	1361.582273	1343.705275	1641.66729	1306.449345	1216.990692	1221.236885	1392.483918	1347.435392	1484.39853	1511.830915	1264.280782	1461.080861	1289.379877	1341.713463	1825.677605	1333.172729	1163.971471	1341.656132
3.35_428.9614m/z	428.9613569	3.352483333	neg													4697.190809	4920.797763	4929.20813	5797.234038	5265.94718	5624.84981	5780.925952	4870.92182	4392.501022	4850.129652	5702.837893	4730.964284	4971.526948	4982.072256	5163.28157	5603.790249	5426.326836	5186.895212	4760.802981
3.35_430.8879m/z	430.8879049	3.353616667	pos													4694.322126	3349.492046	3124.340344	3930.137388	4292.702879	3598.104499	3328.278472	4134.267108	3955.373151	4345.87717	3710.140724	3043.9498	3416.316338	3730.104087	4301.864007	3286.460567	3481.19637	3268.830855	3149.611795
3.35_432.8850m/z	432.8850383	3.353616667	pos													2916.526154	2549.747126	2253.362793	2284.105926	2692.827071	2392.139965	2732.943351	3023.942556	2759.249812	3032.588143	2969.27698	2709.277239	2325.508166	2445.637538	3358.091252	2739.059924	2496.935648	2746.205638	2645.170588
3.35_434.2142m/z	434.2141608	3.352483333	neg													603.1438305	619.1579941	657.6703337	767.2117742	679.3334882	661.4968357	697.1970887	1098.640834	836.1754043	506.4643159	771.3785385	1020.551774	721.7664853	671.8234715	614.0534677	658.8378977	846.504872	877.5001617	795.2691838
3.35_496.5851m/z	496.5850732	3.353616667	pos													19880.79442	21432.84395	18441.64325	17533.42525	16681.88428	22973.45979	23159.26367	15801.73299	10132.9708	20212.65508	21132.20833	10982.57986	19506.93238	19552.13997	21257.60293	15880.02582	20478.08559	16447.59594	26947.12307
3.35_496.9192m/z	496.9192247	3.353616667	pos													8578.209761	8752.985369	8514.821635	6202.090703	7148.149986	8992.54202	9960.369026	5599.647392	4166.688922	9699.259466	10212.28408	3871.086577	9635.920777	8744.602272	7737.779916	6946.015581	9965.272642	6260.422438	10938.45867
3.35_505.8601m/z	505.8600506	3.352483333	neg													19726.51209	21942.37015	21005.06408	22203.33124	20548.32201	21103.50671	22885.52996	22310.25609	20973.03657	21565.61297	23790.97705	19259.0727	20536.37771	20786.56641	21476.646	21795.81392	20749.29031	21843.9072	20304.25152
3.35_649.9549m/z	649.9548999	3.353616667	pos													3390.578317	2706.942212	3496.55028	2430.886674	3197.8042	2686.962007	2104.49407	1988.518472	828.7698865	2576.016636	3611.420196	1919.584401	4786.887454	2839.161492	3668.762876	3771.247799	3741.531149	2081.014049	3448.277439
3.35_650.2892m/z	650.2892415	3.353616667	pos													2756.217524	2873.152051	3272.71757	2093.456378	2889.277951	3565.91995	2773.138698	2086.881859	1409.987358	3808.332453	2511.35002	1183.124319	3724.998523	3474.842079	3434.798615	3230.766208	3532.145262	2287.836203	1740.469629
3.35_650.6235m/z	650.6235308	3.353616667	pos													1678.264282	1352.289452	2029.788613	371.8737726	1195.261484	1487.08794	1699.822186	864.3748106	766.6026867	1600.424563	1784.136044	368.161575	2877.091252	2013.582972	1904.536295	1245.758488	849.6386831	1091.99617	876.7784758
3.35_721.0685m/z	721.0685195	3.353616667	pos													1679.509064	1892.35315	2686.272872	1920.339569	997.441631	1324.117799	1293.477691	0.000297236	0.000297236	1834.14279	950.2261517	412.2965851	973.5738003	2528.769203	3006.650839	2280.249646	1434.481899	2139.748994	1543.355404
3.35_721.3201m/z	721.3201253	3.353616667	pos													2181.521809	3062.01859	2466.68988	2001.395589	2093.701745	3876.740119	2504.21254	1223.312387	378.893114	4133.842021	3467.825848	2668.398776	3150.579625	3245.638909	3759.638058	3137.672099	2704.38141	4447.574736	1985.754984
3.35_721.5701m/z	721.5701298	3.353616667	pos													2316.31897	1904.335754	1859.657604	1785.293824	1713.434864	1844.31894	1606.074155	0.000297236	6.489533411	1268.176005	1012.280777	329.9662172	2123.786438	1563.879706	2586.449492	2124.905939	1914.345207	2159.155688	1625.344621
3.35_741.8608m/z	741.8607604	3.352483333	neg													4514.947695	4204.771471	3410.067415	4801.431844	3884.007921	4825.516255	5817.819498	4144.64067	3337.510427	4909.82977	5584.409277	2521.566956	4870.310028	4177.803267	4162.685625	3937.832282	5430.450457	4450.271981	4724.44541
3.35_742.3600m/z	742.3599694	3.352483333	neg													935.898624	1446.374749	1208.558147	957.4469069	1258.482713	1718.071555	2258.593612	879.7977628	760.7180817	1918.636935	1310.872126	873.1538811	1897.892944	1074.725651	1062.778823	551.1403297	1251.503584	1005.836481	1368.157496
3.35_744.3734m/z	744.3734059	3.353616667	pos													1245.811599	1348.612918	937.4833984	870.5605316	832.5387405	1041.776117	988.9191809	982.7959277	316.8377522	1396.73963	1125.22568	578.1080734	1231.806144	1465.274569	1469.838114	1251.686397	1270.540927	1041.891204	2288.348933
3.35_752.8490m/z	752.8490147	3.352483333	neg													1060.671514	968.3930627	982.9862976	1102.692073	856.2472817	1716.8608	1761.079246	1254.327702	689.4828917	1879.832332	1367.649478	373.6857809	1115.485773	1141.930688	1475.624446	758.8500123	1406.505286	508.784375	1556.34444
3.35_763.6864m/z	763.6863849	3.353616667	pos													921.4847796	634.5001735	729.2008012	353.1644295	1325.230941	1125.37202	1240.348927	0.000297236	391.3467661	1712.37756	1023.212549	0.000297236	1851.144808	763.7521128	0.000297236	346.4612968	977.2353669	412.7817572	1659.483718
3.37_217.0168m/z	217.0167935	3.374033333	neg													437.1818904	478.9909983	494.8457558	396.4982852	859.7773493	510.1827742	314.5178063	998.4003732	1519.836987	548.3925746	133.098929	336.3801556	619.2917319	623.6506939	399.1779148	206.9973763	432.1476072	348.7795672	287.7629413
3.37_354.6943m/z	354.6942792	3.373133333	pos													477.4114395	354.82644	509.4147263	132.2458343	551.6509006	859.4541736	1313.565978	0.000297236	0.000297236	1021.944136	209.2313894	0.000297236	1018.125696	345.8377108	143.8974672	315.4208638	486.9041204	252.6916246	287.677681
3.37_392.5507m/z	392.5507195	3.373133333	pos													1465.793179	1051.85495	1083.05666	1159.042781	973.5158113	602.7970654	1214.462733	1662.111401	1465.757443	1051.185022	1545.258448	1259.558693	774.1998718	1060.082667	647.026464	949.3994886	1168.835717	1123.742882	1337.184939
3.39_227.1395m/z	227.1394788	3.394966667	neg													1536.798397	1627.880564	1841.76243	1040.498245	2843.691308	1817.485598	2541.782846	613.3076939	687.7721884	2711.691599	1915.619972	470.7099685	2923.67544	3033.073237	2311.532368	1725.69009	2067.477575	1022.886645	2254.834504
3.39_243.9775m/z	243.9775392	3.393916667	pos													5427.790898	4658.303149	4560.608793	4741.429972	4164.763473	3960.333781	4492.472303	4274.536935	4295.850843	4213.24155	4643.915516	5166.103997	5146.959085	4832.523592	5131.604797	5319.057912	4788.390983	4850.799928	4439.655402
3.39_287.2215m/z	287.2215426	3.393916667	pos													5499.248689	4076.079824	4027.727561	4422.405154	4242.451443	4318.785426	4269.466479	4054.785164	4180.712095	4340.942202	4477.598985	4940.554874	3936.994782	3891.65084	3963.13179	3339.38765	4684.164595	3871.441358	4163.201674
3.39_366.2094m/z	366.2093948	3.393916667	pos													1543.931795	1319.483341	1431.165822	1807.381834	1136.772453	1260.720649	972.7892332	863.394528	879.4751919	581.7354726	1420.097817	2210.252464	1684.053752	1775.573394	2246.79384	1280.435387	1867.001906	1646.556765	2169.984116
3.39_366.4600m/z	366.4600465	3.393916667	pos													896.6879886	1105.331801	1296.618064	839.3226469	1043.738211	1271.137793	854.7206108	485.8904673	750.6367564	802.8808128	698.8458414	1156.772823	1272.578006	1622.359695	1163.362839	1505.140521	1648.941004	1052.497133	1531.074888
3.39_387.9673m/z	387.9672592	3.393916667	pos													2635.701051	2162.125829	3449.057854	3864.769449	2755.210799	3013.553075	3144.759311	2308.858454	2207.025819	1584.235861	2158.79071	5607.83556	4437.298736	4458.547487	3476.51939	3510.522452	3084.718071	3573.857826	3844.191059
3.39_388.2181m/z	388.2180758	3.393916667	pos													2591.594656	2479.657996	2920.80896	2941.340067	1939.388572	2129.659261	1647.670434	2002.646984	1229.315385	1317.777555	2156.984018	3505.654853	4288.289204	2816.169184	2986.894821	2714.306126	3080.108895	2882.347779	3477.896731
3.39_388.4687m/z	388.4687444	3.393916667	pos													861.1843852	1017.483046	1402.693878	1306.005441	1143.257418	982.7471791	770.0404475	303.3448154	804.3340171	587.0328685	890.2141433	715.2321963	1247.023114	1372.180631	1265.510416	1542.493369	733.2620157	1108.077344	1374.354882
3.39_411.5238m/z	411.5238316	3.393916667	pos													4054.81737	4472.937476	4133.655396	3801.21507	3142.95415	3159.151411	4490.337891	6105.392124	6657.855066	7188.039305	6024.844584	2021.894453	2609.934059	3614.045914	2800.509378	3293.448252	3469.114004	3450.371796	2716.344647
3.39_411.8583m/z	411.8583242	3.393916667	pos													2193.557834	2300.281794	2358.265297	1573.530762	1998.018514	2039.785472	3466.153794	3645.753535	3214.851544	4018.000167	3887.261441	543.9698322	811.0076659	1880.836961	1368.347975	2694.444981	1656.143479	1570.998258	2165.170807
3.39_412.1921m/z	412.1920948	3.393916667	pos													716.2679282	780.1971484	1084.951475	784.2450293	846.9800241	750.3685667	1629.569096	1866.58398	1244.077594	973.7417367	1423.073137	275.481461	215.8361462	477.9592308	785.0923425	640.6902874	692.2267216	545.6472516	1114.293871
3.39_415.5565m/z	415.5565416	3.393916667	pos													4792.332957	4704.851093	5113.073627	3714.366133	4339.885241	4295.807124	5365.185432	2288.741738	1913.907815	5616.868275	4826.880779	2853.404831	5802.695826	6102.407125	5886.030285	7171.71044	7147.482294	6898.202127	7846.172835
3.39_415.8907m/z	415.8907451	3.393916667	pos													2061.612368	1766.32683	1521.431237	1807.986564	1659.170315	1914.852773	2004.258508	976.9765216	901.8997838	2002.039567	1974.616451	929.5639788	1658.847398	2011.504386	2476.055984	2221.537836	2111.836719	1868.634111	3129.632478
3.39_444.8908m/z	444.8907585	3.394966667	neg													5049.742865	4685.415721	4991.415216	5279.706497	4837.839251	6233.748753	5627.825287	4918.544479	4907.122691	5537.426323	5953.510061	5086.214781	5360.599795	4850.735782	5106.604155	5878.263586	4762.517846	5247.813086	4683.055356
3.39_470.5227m/z	470.5227134	3.393916667	pos													4536.002464	2915.359687	4242.494212	3541.072422	4413.83138	3968.01941	7072.288636	2425.554609	3678.936432	6255.440411	6575.630965	2001.062064	4078.837667	3501.252727	4144.478682	3806.833936	4315.366873	2774.715638	3933.972769
3.39_608.3078m/z	608.3078101	3.393916667	pos													11971.55642	10930.28115	8685.656532	14642.436	8716.906412	8409.268473	15295.82396	2334.773831	7726.698996	7723.511697	15938.71051	11622.45631	10758.16414	12306.42378	9440.766771	11575.99301	11339.95514	15329.36895	13302.65138
3.39_608.8093m/z	608.8092655	3.393916667	pos													5970.528953	5544.151566	4854.250045	7151.852215	4854.970459	3172.530498	7534.374361	1787.953858	2613.134874	3652.570188	7399.929518	6786.286824	5524.94755	6635.03739	4039.609512	5947.430255	5305.529478	7400.277232	6066.625373
3.42_176.0375m/z	176.0374858	3.416116667	neg													804.2565671	703.2457691	799.8655908	552.5100099	678.4856442	560.8458538	643.7785357	1279.090019	1390.109483	610.3227561	602.5581149	882.0853963	732.733531	610.063867	592.7609378	689.9468721	579.1947091	573.6055038	564.0597836
3.42_230.8863m/z	230.8863377	3.416116667	neg													2786.38546	2666.642313	3003.234473	3257.205985	2731.114582	2963.829777	2930.960947	3018.099453	2582.167581	3247.457345	3407.471558	2619.239049	2782.414711	2906.623136	2690.661761	3158.068852	3178.294475	2878.53719	2514.634032
3.42_260.4812m/z	260.4812341	3.415166667	pos													807.8732921	1025.477341	1202.734875	715.1085604	1160.721331	1142.989921	1010.237431	662.3248282	990.8621473	1207.207298	864.6220981	1367.697988	1336.785686	1102.781053	913.5059307	892.8805126	949.7621001	669.9427075	1116.987952
3.42_260.8156m/z	260.8156398	3.415166667	pos													394.1164657	321.6464423	345.2153626	212.7100513	498.4452768	296.8851456	347.558519	333.5306164	308.9752543	388.4814526	304.4752803	501.2554072	505.1440622	328.3196083	189.7822949	374.0009302	368.2930493	337.9048339	521.8708295
3.42_289.4918m/z	289.4917934	3.415166667	pos													357.1272594	583.1930448	387.2996216	420.5002801	200.1984619	417.6729409	649.6971664	530.6984818	667.8153996	281.4498475	316.7265502	1031.027543	460.2362737	310.1676664	284.4640191	487.3435134	276.4498078	486.470522	501.1130093
3.42_293.6778m/z	293.6778049	3.415166667	pos													204.5120572	253.2281379	297.2790471	118.9565897	619.1555832	394.47388	520.0085662	0.000297236	0.000297236	544.2481304	123.3618687	0.000297236	632.2373215	415.1299395	145.9875323	202.0601007	419.6332281	192.8445501	554.9529686
3.42_293.9287m/z	293.928678	3.415166667	pos													172.2879607	126.1410555	167.3658399	139.5928637	119.5402492	273.924088	358.0075833	0.000297236	0.000297236	264.7919559	0.000297236	0.000297236	472.7499402	367.5341043	0.000297236	148.8571644	169.9996974	0.000297236	476.4614479
3.42_294.6650m/z	294.665031	3.415166667	pos													572.6871502	861.124946	682.4889101	349.1607972	287.9262388	836.3159652	872.5608695	969.7622536	699.3318806	890.7581222	582.5121057	610.612783	985.3337648	1110.448576	553.5995693	434.2700823	358.2394835	607.117625	1136.316954
3.42_300.6712m/z	300.6712005	3.415166667	pos													592.1854133	780.5095212	535.3734131	486.2307487	909.4746081	429.9307801	975.9292235	0.000297236	122.5949895	863.925112	778.9663109	85.91373865	821.7598513	832.5501364	1215.080386	680.0521843	1046.368267	615.7278147	969.4136974
3.42_318.1910m/z	318.1909656	3.415166667	pos													1999.416933	2255.685726	1915.583993	1706.340262	2380.628424	5705.812659	1350.885373	6422.477048	5032.976674	4080.66694	1322.746548	4990.5168	724.5771699	732.2592203	541.0044233	1063.215992	786.1871305	545.1787003	850.8520112
3.42_385.2030m/z	385.2030062	3.415166667	pos													1529.111784	1365.92059	1843.966316	1385.970109	2596.134672	1564.140733	2169.574516	823.8537717	637.5367608	1870.390851	856.0995911	662.367261	1521.492299	1437.769435	1704.360834	1194.203898	2218.802305	893.4951811	1242.454863
3.42_409.7254m/z	409.7254487	3.415166667	pos													1654.915269	1879.839821	2157.296249	2139.291119	1895.298474	2116.770005	1469.860963	1125.493056	1462.132563	1399.691839	2164.715233	1454.021196	2086.075263	3277.181506	2421.656688	2069.638507	1878.561028	2029.513215	1846.635443
3.42_409.9760m/z	409.9759808	3.415166667	pos													1801.102431	1623.506523	1085.894058	1308.783452	1306.392925	1655.299852	1723.56961	1529.466644	881.9952229	806.0163609	1726.393254	1897.898824	2084.552222	1670.416222	1954.328133	2112.629948	1803.866783	1650.26761	2171.469138
3.42_468.5078m/z	468.5078064	3.416116667	neg													845.0325655	1243.644118	806.7179337	702.7919217	1136.84576	1216.882375	1829.308013	666.8359941	744.280749	1701.590084	1469.252001	455.3554436	1267.795221	811.6574481	644.6238325	1234.316597	1041.0732	852.2353746	565.4599911
3.42_688.9655m/z	688.9654566	3.415166667	pos													1443.758012	1842.181883	1739.89671	2278.067588	3043.2026	2349.589541	3309.194687	1505.577094	765.794872	2285.745064	2767.295232	0.000297236	2464.244514	1848.835879	1714.459986	919.274237	2542.213182	1398.681452	999.7902497
3.42_689.2999m/z	689.299917	3.415166667	pos													1569.380495	2255.834755	2037.101715	1055.431428	1947.61653	2591.491467	3623.929483	490.7014519	472.7612758	1746.708517	2312.025197	0.000297236	2630.614439	1625.39828	1737.79288	1612.824786	2418.543759	315.978049	1766.821649
3.42_720.3204m/z	720.3204088	3.415166667	pos													1297.874457	924.3579228	1587.733749	523.58792	2334.413453	1634.090391	2478.461336	423.017782	0.000297236	3540.822747	2168.463189	498.8336389	2909.684083	2485.154774	1480.373772	1786.982502	2223.550162	1125.03593	2545.750964
3.42_720.6545m/z	720.6545079	3.415166667	pos													1428.973778	1473.992952	2052.857073	503.3915785	2452.28679	1070.194953	2960.996442	354.4825369	0.000297236	2800.172703	1692.697858	0.000297236	2831.661438	2337.592692	2603.763511	1929.701064	2862.316151	846.6023567	1195.302504
3.43_330.1557m/z	330.1556664	3.433966667	neg													410.4366774	302.147383	397.3563548	216.4911221	567.5401615	518.3564667	195.9967965	805.2859902	740.2265508	294.8023898	189.0546353	237.8535775	253.7375298	191.3194578	226.0806404	228.9131177	309.7856695	339.9764773	166.3918695
3.43_341.8900m/z	341.88996	3.433966667	neg													2306.58017	1845.389121	2306.393048	2029.564235	2044.456943	2226.070296	2418.206658	2120.85607	2197.303941	2475.480052	2785.071422	2291.657652	2332.752611	2132.752758	2384.565049	2398.357068	2124.381102	2281.267709	1893.829198
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3.44_331.1735m/z	331.1734559	3.435833333	pos													983.2420998	1159.00142	1000.790833	1236.541326	794.4273876	1100.380336	673.5459691	2541.919764	1019.149661	521.0426168	1155.02591	410.4959253	378.3585499	945.1496424	607.5369526	456.751531	592.6112142	689.0861259	805.7993535
3.44_332.1702m/z	332.1701644	3.435833333	pos													4645.970649	4901.811024	4997.461396	3832.718905	7157.71751	7632.524222	2917.052699	10055.50529	10758.53921	5729.073353	3630.607697	4929.579167	3038.110581	2551.365553	3419.179607	3424.079878	3787.05873	4571.319701	2618.275616
3.44_389.5607m/z	389.560667	3.435833333	pos													1851.445372	1587.889615	1869.773699	2430.322806	1451.246654	2325.152692	1729.218484	2255.894733	1265.020099	1104.340708	1816.81558	1400.444884	1808.007007	1399.617646	1133.994533	1910.211844	1978.464062	1525.212107	1998.796035
3.44_389.8950m/z	389.895026	3.435833333	pos													679.7801128	859.6542236	1195.186359	1161.803675	833.6424465	1025.018245	981.7467627	1393.211899	911.9718935	1104.877949	1431.507899	951.6277988	831.1759562	1048.001254	703.0599803	729.7892178	963.9686388	913.6491015	1363.303499
3.44_462.9244m/z	462.9244467	3.435833333	pos													576.8245891	591.5796383	887.4329071	329.6333069	1372.528463	1391.853128	1829.909945	405.1822616	0.000297236	1357.203228	1122.6283	209.1859699	2050.469357	904.4252021	731.9861656	299.1890399	516.5127669	302.7849054	832.6138521
3.44_463.2587m/z	463.258731	3.435833333	pos													578.8127895	714.3907167	503.0348816	228.4919935	1048.327534	1088.511914	1085.870463	154.9209212	0.000297236	1102.251239	275.5961188	0.000297236	1225.963366	673.3529171	288.6335264	0.000297236	563.7011064	224.3264733	469.9893907
3.44_466.9248m/z	466.924794	3.435833333	pos													4957.524945	4824.10326	5349.21133	4926.201746	4756.363384	2080.717996	3987.532558	3254.709439	2437.205129	2307.266666	4133.897425	3746.584177	6737.706044	6347.008359	7140.162653	7421.62197	6726.776669	6976.191046	8922.402122
3.44_467.2590m/z	467.2590321	3.435833333	pos													3748.046836	3424.13864	3883.805084	4147.408575	3884.19384	2052.978558	2068.198659	2143.109723	1907.513786	2257.516864	2952.820576	3183.203678	4888.494248	4785.442646	5032.833692	5879.963188	3879.259547	5529.224001	6538.583941
3.44_467.5934m/z	467.5933531	3.435833333	pos													1188.437869	1468.924262	987.0210915	1108.504904	1404.409147	1030.637928	542.9953024	518.0795084	356.3434208	640.1264225	1035.788322	628.7268215	1258.671766	1109.023966	1886.746413	1947.290242	1787.758886	1367.134222	2503.893575
3.46_116.9720m/z	116.9720295	3.456416667	pos													442.5238605	514.1886928	466.9579356	434.8908502	399.2181233	368.335924	448.9243518	394.0946296	439.5671471	394.4350672	401.6750737	589.4843022	476.2731222	479.2191045	423.2102693	435.1428986	375.4154813	432.7032348	380.1867714
3.46_117.0542m/z	117.0541608	3.455066667	neg													5235.373044	4859.749626	5502.624071	5359.670627	5848.223483	5371.682902	5475.963538	6906.448899	8494.383506	5999.44614	4482.614741	5890.451144	6109.520685	4393.359359	4815.563884	4400.123518	4492.584356	4561.679214	5331.920589
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3.46_242.0108m/z	242.0107775	3.456416667	pos													1023.787787	992.7266766	1183.065048	495.1111811	1017.153269	1303.029603	676.107458	3729.910409	1354.316966	1034.387676	584.5609901	682.2848078	694.7490678	718.206328	558.7221198	596.3271563	565.01339	606.1106216	873.7272018
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3.46_273.1556m/z	273.1556243	3.456416667	pos													2039.470559	2373.3189	2178.972877	1811.481456	2498.109854	2812.354896	2420.315594	2498.969267	2493.977662	2273.391087	2942.519911	2050.265923	3085.938389	2500.887856	2661.631857	2727.063526	2585.128632	2972.205393	2821.864905
3.46_273.6573m/z	273.6573158	3.456416667	pos													522.1463777	493.9317792	352.7561188	203.8898724	519.7024953	384.6577754	415.0804597	370.7523752	395.3473809	450.3811549	348.9509609	427.9089359	297.1240499	392.3367068	638.220215	682.801677	478.9212262	582.1467659	587.3274654
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3.46_303.1391m/z	303.1390516	3.455066667	neg													55.08908097	62.67557998	94.04716492	52.97110085	159.4746672	343.3963307	106.2207014	0.000297236	34.37323578	338.8267314	0.000297236	0.000297236	50.31597324	49.84651651	82.72370191	125.3793866	136.3944997	0.000297236	89.2126893
3.46_304.8939m/z	304.8938627	3.456416667	pos													7321.31915	6322.016911	6182.619335	6255.919587	5998.562855	6196.393803	6594.475555	6227.705073	6391.448859	6463.261235	6791.531186	7428.059425	7306.006193	6455.039929	6944.625287	7275.565397	6111.451135	6997.394758	5968.39167
3.46_305.1536m/z	305.1535647	3.456416667	pos													348.1186995	409.2673079	498.1708908	280.0427874	584.3945685	1756.495859	357.6392261	344.7438602	212.1120819	1315.956088	297.0599664	249.1537349	417.5994185	247.7009712	573.918161	462.8102314	619.0693996	257.0327733	446.7416347
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3.46_341.8416m/z	341.8416142	3.456416667	pos													1549.780506	2320.587455	1794.96048	2098.872407	2767.994231	1807.155594	2233.618543	829.0963362	462.9547559	2733.833472	2318.215511	667.8065624	2464.98869	2006.473754	2521.578403	2472.241188	2414.359991	1952.456102	2439.507121
3.46_342.1759m/z	342.1758625	3.456416667	pos													760.3364545	987.7216701	755.8409424	787.8527647	1654.680816	1196.040819	1177.155802	516.3534687	146.7079322	885.3473192	1067.301971	476.8470444	831.7127108	775.5092934	964.9931895	1164.846423	1014.365595	1112.739847	1212.862796
3.46_350.9283m/z	350.92826	3.455066667	neg													1422.245203	1094.680528	1318.704376	1025.01742	919.4773599	880.4078524	840.7250372	1008.655243	1538.604827	1752.612777	1625.466946	697.3506352	1365.371717	1137.956531	1092.645128	1164.681944	1640.582899	1411.334128	918.7280824
3.46_370.9947m/z	370.9946775	3.455066667	neg													535.5011994	491.6811853	420.0714767	230.0103024	400.5083251	522.9104377	402.4135837	1312.12646	555.4503482	508.4257271	217.7520906	321.8570361	364.1066044	384.8964727	267.3604584	232.3673762	242.8096915	412.5814433	232.8170795
3.46_401.5386m/z	401.5385795	3.456416667	pos													1547.270979	936.7878867	1260.129257	1106.034462	2140.426157	602.1419471	1709.461074	498.2920878	404.8324376	1910.198257	551.1147101	414.4455959	1328.527245	2381.102831	1802.565058	1746.84348	1919.159814	1170.656277	1530.664582
3.46_402.2084m/z	402.2084221	3.456416667	pos													547.754395	563.4353472	676.5935593	131.4059296	989.2178074	500.8882574	1178.461281	0.000297236	0.000297236	850.4898336	143.3191513	116.6123048	957.473227	728.3430296	794.8713231	638.8689941	876.6483347	178.9639251	256.7843842
3.46_409.8830m/z	409.8829778	3.456416667	pos													1386.945906	1577.872917	1292.887184	948.5361953	2543.075082	1711.463726	851.480593	554.730416	655.911233	1209.367797	795.5131376	526.9374818	1004.316313	832.0337833	1536.884442	1240.5283	901.4834649	1335.042619	1213.672754
3.46_425.2381m/z	425.2380608	3.456416667	pos													738.2665996	992.9893151	1313.180093	256.2616836	416.3258949	1057.607142	408.7649263	908.8235762	654.9611131	1157.863645	1270.67894	1180.535932	349.2328131	556.0939573	1156.467756	1115.482714	607.1614161	1121.112978	474.7090218
3.46_425.7359m/z	425.7358536	3.456416667	pos													780.5646832	705.9178057	823.9848938	697.96471	657.7276527	516.54428	1011.392251	656.4979089	239.0872759	1350.786293	1026.649707	0.000297236	726.234872	749.9078594	753.5274615	981.3356441	1049.241862	697.4973503	556.4450864
3.46_606.1201m/z	606.1200678	3.455066667	neg													1574.142874	1346.138979	1904.289097	3790.459823	1148.499153	2384.256672	1579.717621	2900.0139	2292.877313	1317.289782	2796.876048	3982.00484	1378.497866	1042.0584	1853.606764	1713.319415	1755.349463	1700.013301	2393.781018
3.46_676.7962m/z	676.7962287	3.455066667	neg													3666.421577	2579.326542	2792.952238	2913.253789	2310.424833	2775.871769	3205.477292	2358.295858	2799.832691	3792.026312	3584.557384	2061.093416	3516.560002	3117.749923	3325.295568	3203.488259	3478.32237	3759.917598	2125.799826
3.48_126.0546m/z	126.0545595	3.476266667	neg													341.4847883	334.5220943	319.4416306	410.6236483	126.5310936	303.0705034	194.6451462	482.5825806	401.5465102	165.762564	319.8729331	597.9922174	277.7682832	210.1632572	265.0398919	262.829014	409.6381353	470.9676697	423.4508846
3.48_160.0425m/z	160.0424629	3.476266667	neg													193.1420635	187.2191737	200.6815605	282.7450601	88.09014379	139.6741572	66.0479586	294.8521746	255.9757367	52.76845054	178.8916025	371.7337737	130.1509184	94.69601114	181.2459884	156.0730193	233.3292571	305.7437133	269.0794399
3.48_174.0582m/z	174.0582416	3.476266667	neg													657.5262934	666.395024	852.6933931	558.4425603	851.8437185	826.2646509	899.730445	602.9829139	586.920166	967.6091008	855.0447651	702.3677351	836.948065	758.51998	696.8424651	707.591014	895.553562	637.25549	634.1242961
3.48_197.1173m/z	197.1173212	3.477533333	pos													2560.649303	2620.761621	2362.306082	2672.2685	1875.29574	2509.744906	2752.016656	2299.113732	2387.933398	2581.007002	2504.652169	2806.194759	2517.951961	2699.04491	2886.870441	2401.217087	2864.857938	2816.626115	1985.052736
3.48_204.0327m/z	204.0327114	3.476266667	neg													423.7559794	323.8748367	411.1639239	370.9332306	252.4215224	279.2025364	260.6129135	510.9306219	407.4268834	265.2404822	356.9711324	550.1383655	387.7023945	287.2024993	423.3096306	341.8987026	443.8062059	573.3281711	459.6675052
3.48_272.0209m/z	272.0209134	3.476266667	neg													3144.519777	2911.066643	3419.022289	4726.015157	1480.148178	3059.286568	1625.096404	5211.246099	4256.536771	1603.295591	2943.094255	6435.023636	2233.979199	1847.44117	2948.911469	2528.943872	3881.17717	4902.651174	4050.91111
3.48_314.9322m/z	314.9321727	3.476266667	neg													1469.656673	1517.004964	1424.79007	1135.429307	1232.202796	1705.494242	1346.521106	1337.675821	2003.443466	1682.75381	1733.344844	1239.006273	1771.230484	1087.122912	1139.259045	1402.140158	1479.813615	1530.503087	1045.344456
3.48_340.0081m/z	340.0081306	3.476266667	neg													1453.427899	1380.17286	1587.669159	2601.460318	696.965712	1571.375073	758.2020223	2572.484818	2239.264658	709.2496521	1224.685062	2764.254616	1067.547141	696.3557487	1384.810155	1233.637895	1922.500509	2336.956845	1998.977054
3.48_377.8924m/z	377.892416	3.477533333	pos													189.758025	141.998638	254.9735413	153.9382179	400.9666541	493.5953212	346.5029175	296.8598999	0.000297236	626.4611954	297.1433035	0.000297236	171.5082062	0.000297236	217.2322335	248.191581	201.2643305	296.8401677	294.9321487
3.48_380.7091n	381.7163785	3.477533333	pos													5440.282109	6371.530663	6252.157753	5769.032146	6444.798755	5092.517402	4879.375481	11243.08621	6472.776879	6641.901093	6085.0506	7074.390913	4034.888103	3487.413643	5069.74779	4498.197127	4479.917199	5098.368691	4375.61703
3.48_382.2179m/z	382.2179388	3.477533333	pos													1500.039185	1922.427999	1271.810249	1420.905555	1824.90636	1725.307604	1194.271275	2655.647263	2545.929314	1686.691217	2509.318912	1775.294853	865.0270383	765.1671252	1288.201184	1222.502616	955.972725	1292.830681	1186.65007
3.48_407.9957m/z	407.9957488	3.476266667	neg													936.4175679	874.1888394	924.2728691	1412.602937	472.2814184	792.2610482	498.5294647	1458.526255	1458.895458	501.1134891	853.8090518	1790.109568	628.9378204	297.5863112	945.336408	634.4582159	1014.237212	1469.700859	1189.99712
3.48_446.9055m/z	446.9055158	3.476266667	neg													2357.181221	1882.360104	1856.875546	2333.386342	1976.828699	2285.700749	2384.298592	2082.987427	1940.650673	2352.862907	2658.553916	1875.644652	2813.369294	2208.834072	1726.733739	2100.194173	2052.364718	2088.279	1762.466514
3.48_475.9828m/z	475.982832	3.476266667	neg													564.2181647	573.9220056	508.0581284	740.8534748	120.7314623	545.288441	177.6516965	954.445874	642.4988589	155.7821822	502.6161931	1102.555467	141.4280777	261.4195332	502.6659875	462.6820212	538.4856887	829.3344923	608.8745889
3.48_602.7818m/z	602.7818471	3.477533333	pos													3490.204325	3648.00916	4681.172606	6652.653484	5310.088051	4057.735694	7911.78005	1193.431114	4352.646782	3564.856378	7015.525191	4583.335313	4533.749323	3153.353381	2941.80632	5235.148055	4688.594686	4168.032388	4121.169163
3.48_603.2835m/z	603.2834985	3.477533333	pos													1517.163121	2350.165413	1718.858307	4615.966026	2390.851781	2193.787376	3391.393865	848.1765716	1714.978514	2310.947305	5001.616919	1826.316546	2054.333923	1096.572983	1173.769842	2712.546328	2175.89033	2400.268971	1544.063792
3.49_139.0023m/z	139.0022955	3.494566667	neg													1257.208569	804.8861158	1121.431324	1093.348005	1340.037773	951.1109111	1168.631225	1170.256979	939.1459687	974.3166089	1064.51513	1145.305728	1274.351366	1169.750987	1074.375447	1056.011749	1224.235483	1124.966509	1131.690425
3.49_225.8967m/z	225.8966851	3.494566667	neg													1595.926447	1385.458472	1540.122	1349.560158	1370.607224	1644.082745	1506.775756	1515.15943	1298.871899	1726.823528	1868.723073	1182.028152	1605.557293	1326.582195	1400.098283	1383.904778	1543.454442	1644.612174	1313.991991
3.49_273.9033m/z	273.9032667	3.494566667	neg													934.247515	828.2674394	1063.778639	894.1586277	997.5412252	806.8969131	763.8608428	983.0691021	990.7603174	1131.318132	1330.881243	885.3749073	734.0272323	949.089775	877.3143698	1012.494762	949.2958901	1072.580716	638.992257
3.49_320.9662m/z	320.9661654	3.494566667	neg													1848.621699	2215.300384	2173.727545	1575.688971	3370.473431	1549.797607	1186.795183	4564.373585	3142.724576	1428.793021	754.5835685	2819.566479	2670.084219	2596.649896	1246.255696	507.4643015	1300.439008	625.9596399	2135.365666
3.49_388.9537m/z	388.9536611	3.494566667	neg													909.1035661	970.5880117	856.3941486	666.6816548	1542.068796	631.4956503	394.8992901	2136.402517	1290.443346	645.5425929	337.0892865	1486.310961	1276.210913	1272.793813	542.4462712	257.888074	656.977254	244.9106188	1130.740462
3.49_400.9093m/z	400.9093273	3.494566667	neg													1865.155859	1556.00567	1936.940205	1189.24521	1287.566024	976.8823715	1208.457452	1216.168096	1831.183425	1983.04109	2057.449594	1264.440739	1384.209743	1305.867568	1431.479919	1537.236814	1889.152043	1591.81748	1085.927889
3.50_151.0353m/z	151.0353409	3.498333333	pos													4207.330611	4090.016727	4077.083661	4144.830078	3760.429204	3944.806716	3916.929705	3811.562278	3895.281133	3583.648294	4076.043543	4408.965657	4460.546532	4470.937534	4792.378594	4441.920089	4197.240172	4071.16959	3893.612044
3.50_207.6392m/z	207.6391503	3.498333333	pos													211.2673019	162.1397131	209.1973992	321.655207	255.7204949	347.88684	282.5492421	130.4795177	74.26899679	212.7473358	237.5020224	217.9575812	197.7116679	282.8914948	259.5094008	157.7678343	133.7054496	135.8502909	316.6436003
3.50_377.2238m/z	377.2237997	3.498333333	pos													2103.642603	2871.094029	1932.914398	2354.09267	3306.72979	1572.951219	2532.858751	1734.102833	1195.022724	3032.907158	2463.365609	647.4561439	1467.111756	1623.383524	1797.874253	2712.471667	2203.113655	1792.334367	1891.68501
3.50_377.5583m/z	377.5583316	3.498333333	pos													1037.842229	1058.728958	997.4194031	960.7165195	1585.574658	1100.195714	1321.077627	802.683436	728.5105124	1944.482921	1133.357022	155.80524	622.1224322	857.1462544	1108.109877	1085.074736	1334.543256	854.4333226	749.014765
3.50_457.2160m/z	457.2159733	3.498333333	pos													816.6077592	1154.826505	1094.32402	1113.571664	648.6788946	1562.91551	1120.226885	580.43379	675.1478284	690.8418832	1359.946998	307.9852314	755.9586285	1437.891368	1334.860527	1367.608852	1100.07421	1000.131996	1600.888306
3.50_518.5882m/z	518.5882102	3.498333333	pos													2937.502377	1720.896724	2942.894093	4377.171009	4679.038324	3250.9541	3730.301895	2673.680145	2099.722519	4008.464341	4515.93121	2096.501291	2487.157144	2291.302366	4588.849836	2599.505009	3789.56804	2299.543536	2605.247674
3.50_518.7556m/z	518.7555812	3.498333333	pos													1693.166371	978.9419652	1386.638764	1285.87714	853.6204537	1306.483736	2276.281015	1529.309425	771.9032032	1435.895825	2203.862522	709.9164408	1642.322062	1582.490353	1670.785942	1683.021522	1984.443766	1843.872586	899.3310495
3.50_527.5935m/z	527.5935234	3.498333333	pos													1473.900627	948.8965289	1043.593979	1601.363442	438.9038448	1790.708131	2132.198031	657.5201716	301.0819581	1434.130987	987.3653971	0.000297236	1695.421488	1881.91077	1242.730794	1233.734218	1222.329288	617.2532586	1076.622941
3.51_131.0699m/z	131.0699096	3.51475	neg													2354.085736	1957.30486	2241.888589	1946.2433	2259.685168	2082.317621	2040.385175	3260.863915	3284.619647	2149.536735	2002.319184	2319.228988	2169.600829	2352.900308	2184.093112	1770.743896	2096.631517	1896.660162	1924.622726
3.51_267.0461m/z	267.0461133	3.51475	neg													221.8707046	233.7133012	196.1385727	77.43925626	213.138891	100.3496442	120.5332734	704.2128813	787.7127865	285.2676419	229.6413525	163.9759802	254.7513559	351.2984397	256.2700442	47.79937122	231.396497	40.96338788	155.5573509
3.51_600.9784m/z	600.9783559	3.51475	neg													1363.81202	1586.0386	1316.472961	1996.699623	1675.366779	1336.541289	1645.737539	1826.54128	1280.691863	1585.907017	1275.81487	1585.909429	1821.878114	1754.973045	1326.850057	1859.079005	2110.830023	1898.040945	1527.568239
3.51_717.1524m/z	717.152411	3.51475	neg													2510.350497	2520.742377	3030.444926	4309.736953	1682.27469	2080.028152	2189.038372	336.36312	1606.760677	2424.415688	2164.572548	4959.306932	3298.824518	3755.909299	4059.531149	3794.046309	3143.889169	4352.172959	4527.94552
3.52_308.1782m/z	308.1781526	3.5192	pos													4763.201513	4133.617641	5353.012323	4826.842791	5355.164956	2266.016074	4561.022027	2965.782657	3007.148806	5042.467713	6727.308151	3109.031944	5290.663886	4749.86519	5544.764272	4648.860761	2397.538747	4035.554911	5367.124705
3.52_308.4289m/z	308.428946	3.5192	pos													3705.307214	2468.121283	2980.263794	3219.616416	3318.021842	2107.883796	2773.286413	2113.557853	1836.10358	3441.890582	2736.042958	2007.261993	1975.34713	3569.854674	2449.235927	1924.954709	1722.155605	2257.676388	3311.925998
3.52_343.1977m/z	343.1977198	3.5192	pos													1208.824419	1630.781347	1250.982882	1631.440634	1277.365373	1383.020604	1524.495499	744.729375	473.9920867	1983.957513	1483.408142	898.0991801	1088.1876	916.2868126	1249.991496	1605.173745	1704.113239	1985.983593	1009.295154
3.52_410.5685m/z	410.568545	3.5192	pos													8355.457767	8063.21837	9176.829254	10191.21429	11039.3842	5367.401529	12275.83459	5079.150405	5348.573655	11493.76658	9852.258962	8910.047974	9915.238424	11347.55197	9592.182144	8578.291626	8769.627166	8395.106191	10639.32835
3.52_410.9029m/z	410.9028974	3.5192	pos													6304.891564	5313.01805	5301.245163	5792.845003	5361.131302	3441.501592	6251.662795	4624.282784	2874.72973	7921.304429	6348.285175	2900.816363	6463.847688	7395.730399	6156.655392	6487.834464	6224.554214	7638.002886	8035.047054
3.52_411.2367m/z	411.2366658	3.5192	pos													1936.982068	2004.600752	1425.772308	2163.956202	2112.682418	915.0432312	2283.384019	1640.619586	1726.332253	3029.580092	1968.260023	917.5004674	1488.010016	1445.023982	2589.362739	2413.710682	1150.531012	1382.558077	2379.210941
3.52_421.9115m/z	421.9114852	3.5192	pos													3382.932972	3984.302766	3222.939346	2697.806999	3879.050681	4512.239034	4807.286041	5914.940191	3346.478344	2773.627301	5603.328783	2814.763969	4082.669242	4830.581906	3241.903689	1852.132761	2985.890425	3208.30434	4428.663265
3.52_422.2459m/z	422.2458659	3.5192	pos													1477.200904	2425.069177	2098.170807	2191.063307	2878.132304	2840.810568	1932.924099	3623.48234	1735.030619	1638.897411	1790.37985	2601.445824	1722.91317	3154.07436	3886.272998	1116.181177	1893.601035	1892.437665	2630.805424
3.52_422.5802m/z	422.5801905	3.5192	pos													405.8665683	438.8804479	654.6950486	497.8339705	828.4923614	260.0903762	638.9376453	862.8481261	535.9573099	467.4693084	540.2477198	215.4187525	1511.732847	490.5480323	0.000297236	732.7770056	299.0524287	667.5299651	738.1649653
3.52_497.2434m/z	497.2434465	3.5192	pos													2008.675662	1628.889827	2408.434244	1582.777685	881.4156017	2709.945067	778.9883231	3610.357723	1305.13968	1653.602187	1099.550128	2410.140521	2154.964849	1711.221186	1660.530374	2590.908631	1145.426239	1017.229856	1282.259494
3.52_673.2918m/z	673.2918079	3.5192	pos													1152.120835	876.6607722	623.1907043	780.4183679	1820.470222	577.0059343	1739.353574	2814.17747	1548.957417	371.9292682	1795.355306	1228.07144	0.000297236	942.3895608	0.000297236	695.5119712	878.7018824	1382.853591	691.4505329
3.53_1107.3699m/z	1107.369899	3.534466667	neg													3292.082943	2809.006339	3591.335571	2033.940359	3408.826265	1192.141088	4617.646834	3777.016908	922.5504846	1678.793921	3046.219661	2887.649431	3709.659541	4336.71301	2131.086551	2433.124556	4354.781415	3430.241209	6804.44246
3.53_116.0490m/z	116.0490224	3.534466667	neg													1639.001152	1754.753974	1815.185762	1763.31386	1887.757091	1571.336866	1749.583771	1455.420797	1259.673608	1601.926005	1645.513471	1650.302057	1747.799453	1776.704627	1775.272013	1758.889797	1897.765438	1992.958311	2121.051914
3.53_125.0229m/z	125.0228798	3.534466667	neg													696.531849	669.7065691	775.3883575	587.097041	748.0574427	536.7628022	540.1684554	514.2639756	391.2575383	453.8496223	625.0048841	559.3154759	662.5261832	580.708492	573.8420301	638.7751308	613.9498723	645.171892	513.3599345
3.53_199.0578m/z	199.0577888	3.534466667	neg													592.115984	468.9517092	532.5047398	233.6398758	585.4729908	430.5119008	377.7840213	974.4901226	1270.810616	584.3677172	353.2473544	423.6830142	483.4747348	559.4969452	323.8422396	237.8667556	293.5815877	214.8627119	274.7957513
3.53_214.0325m/z	214.0324652	3.534466667	neg													448.0527531	362.5645052	418.8554013	416.8923844	402.8575751	372.4820187	261.2619012	195.296677	368.1434478	379.1964007	458.9212112	318.6068219	483.7908728	404.374452	444.1199015	345.0416706	407.0632331	334.3901208	404.2035229
3.53_239.0589m/z	239.0588551	3.534466667	neg													4619.671734	4263.941053	4932.671505	4867.762156	4665.847445	4371.673851	5121.965835	3350.941011	3336.908069	4684.495585	4001.049509	4575.04955	4808.866538	4859.395682	4708.772499	4696.869252	5126.705815	4726.741064	6020.557372
3.53_288.0422n	575.0845546	3.534466667	neg													13708.68778	12872.31179	12549.82455	13298.05962	11217.6663	11613.79264	13728.68441	10537.01354	9692.74835	11990.56269	13443.29872	12587.85608	11996.51737	15373.60402	11877.04672	13401.32439	14491.75273	15195.19553	15343.11696
3.53_288.0601m/z	288.0600654	3.534466667	neg													24128.38036	22901.40322	24617.65487	26131.30048	24227.32739	24463.70493	25699.15675	17714.7433	16199.29606	24664.36383	22733.60691	23744.28294	24709.91726	27828.69555	25394.99547	22629.07468	26285.02793	26574.23621	33027.27089
3.53_301.0592m/z	301.0592478	3.534466667	neg													2336.91654	2038.650167	2739.727006	2728.775402	2414.109371	2126.216045	2489.229549	1865.884552	1434.553169	2430.876407	1825.234758	2248.062034	2112.664736	2418.930832	2418.302174	2368.474177	2445.365412	2753.559242	3032.3667
3.53_313.0800m/z	313.0799634	3.534466667	neg													948.3384182	711.0512009	636.3745703	842.3477886	667.8684085	901.3464416	940.977086	590.2913192	546.2759213	604.0902551	732.4672646	883.8959485	738.2212237	899.5195959	621.3668498	898.2578564	812.8330659	875.0243968	777.2573624
3.53_315.0960m/z	315.0960404	3.534466667	neg													2630.697841	2648.437093	2891.196217	2970.755441	2778.541654	2778.488758	2980.022202	2079.055776	1834.247909	2649.924791	2699.354938	2673.507263	2883.680502	3389.720122	3340.502643	2919.064525	2946.593234	3150.51201	3573.300506
3.53_331.0256m/z	331.0256251	3.534466667	neg													4128.294185	4264.519238	4355.385222	4350.170303	4195.163073	4335.926057	5110.672521	4737.421988	4194.101857	3995.191388	5117.137514	4478.513656	4215.448219	5034.663507	4645.676587	4943.118784	4476.485159	4938.917623	4318.477955
3.53_338.9839m/z	338.9838631	3.534466667	neg													3779.683323	3092.656611	3537.866367	3205.466939	3199.076899	3186.083644	3696.584243	3016.877552	2526.434712	3167.252096	3419.805676	3807.017083	3367.94716	3407.985844	3295.862712	3673.759385	3196.548095	3566.423107	3663.664937
3.53_346.0186m/z	346.0186368	3.534466667	neg													4311.254938	3526.608298	4165.518796	4508.993815	3866.435648	3098.701088	4401.603744	3090.818079	3381.060611	4308.630824	4502.827534	3738.397738	3908.926622	4615.835602	4194.581675	3480.389464	4115.410424	4353.701983	4305.548638
3.53_357.0205m/z	357.0205488	3.534466667	neg													1115.695035	876.0686158	1132.336918	1167.605132	1036.315945	1081.348879	1286.655962	927.4980799	787.9909727	895.1281762	944.741396	999.7147294	1051.667508	904.1148185	815.5501882	1150.383738	1270.568558	1196.124266	1027.316946
3.53_366.0030m/z	366.0029597	3.534466667	neg													1969.409137	1538.906573	1861.709158	1511.521465	1540.6969	1512.199956	1565.134942	1630.023788	1357.618733	1996.222417	1903.225968	1847.675865	1835.257513	2246.715849	1590.172658	2080.067058	2001.298676	2300.549486	1568.807837
3.53_373.9679m/z	373.9679144	3.534466667	neg													1327.043307	1297.624474	1306.04239	1317.120185	1491.750755	1177.4345	1373.17121	1166.447269	1616.627173	1630.033418	1354.156946	1825.848557	1551.298151	1282.335152	1474.860697	1911.264091	1844.664794	1584.385483	1393.396231
3.53_383.0834m/z	383.0834113	3.534466667	neg													2216.124139	1920.541778	2309.46425	1910.907963	2148.874482	2194.576229	2804.585656	2616.295651	2047.527753	2439.581802	2454.997536	2518.83163	2325.594477	2886.128565	2337.06278	2322.946214	1873.886094	2520.231644	2829.432646
3.53_390.0159m/z	390.0159389	3.534466667	neg													3427.186671	2970.888881	2990.694947	3076.253371	3199.84347	2979.760434	3440.628163	2534.495294	2660.159293	3652.740415	3508.117364	3810.464928	3590.770011	4295.431528	3217.244641	2999.7798	3293.993207	4291.65787	3294.035528
3.53_391.0285m/z	391.0285388	3.534466667	neg													2027.243516	2574.967717	2679.114388	2026.107436	2288.325443	2355.449894	2452.870086	2179.612822	1830.98783	2516.1194	2888.377258	2879.131033	2561.000699	2189.862372	2370.492847	2218.436524	1642.790505	2441.041583	2168.657088
3.53_391.9948m/z	391.9948013	3.534466667	neg													5537.988937	5962.683083	5859.706369	5476.905734	4898.936688	4827.151267	6320.889886	4500.431586	4782.725107	5305.155335	6109.788	5156.58066	5251.785507	5960.712088	5297.504126	5854.041749	5943.572192	5871.592213	5946.132727
3.53_394.0102m/z	394.0102045	3.534466667	neg													5624.820941	5840.230899	6075.709219	6195.385851	5715.108858	5021.43001	5655.51716	4794.410549	4803.380534	6083.555946	6133.161156	5671.743507	6050.227595	6297.036254	6014.833512	6487.429977	6025.707342	6674.518958	6426.740138
3.53_397.0158m/z	397.0158019	3.534466667	neg													11961.06396	10972.41947	12434.68214	12850.86918	10692.04442	11297.12289	12316.29809	10996.37898	11161.95722	12054.04021	11904.66022	11015.52084	11934.54898	13037.52593	11724.1973	12002.19925	11924.56019	12086.94961	11804.43391
3.53_406.9713m/z	406.9712813	3.534466667	neg													3569.933859	2188.389224	2627.229183	2738.30996	2447.476971	2551.546058	2752.923624	2677.381655	2172.995629	3215.677231	2814.568092	3072.025782	2656.401546	3511.096705	2710.142274	2990.273	2391.368045	3431.11842	2928.294901
3.53_409.1787m/z	409.1786999	3.534466667	neg													2999.276669	3038.412601	3554.301357	3174.978443	2608.278934	2767.471857	2948.596627	2041.820698	2267.133459	2801.344861	2900.584997	3045.017679	3212.392408	3261.624454	3279.598974	2617.83375	3558.309589	3331.135928	4364.374288
3.53_414.0061m/z	414.0060953	3.534466667	neg													2860.811853	3003.954435	2819.237888	3274.573897	2884.426541	2699.343721	3341.4195	2398.932346	2965.461928	3182.933974	3721.596309	3137.36159	2471.932471	4135.443846	3672.252508	3168.613048	3572.185676	4043.604042	2882.043236
3.53_417.0002m/z	417.0001715	3.534466667	neg													30418.63194	27115.88524	27155.95795	29290.11625	26723.88292	26156.70961	28186.99938	24786.34463	24393.13649	27839.19657	29377.50452	28166.51398	28296.25327	29347.7216	27866.84975	29565.5134	29036.08831	30988.49838	29284.75563
3.53_431.1606m/z	431.1605715	3.534466667	neg													4165.220486	4201.91029	4185.231506	4746.205349	4090.879052	4430.037329	4655.014825	2671.663166	2620.027491	4326.743975	4645.008969	3891.076263	4927.241453	5127.917135	4277.006598	4068.395133	5455.971602	4606.687126	5796.957228
3.53_433.9913m/z	433.9912705	3.534466667	neg													2277.092177	2144.364824	2225.252576	1957.475156	2169.070404	2333.798066	2228.702834	1791.799392	1898.139234	2493.079602	2374.013479	2626.360438	1803.250201	2722.925955	2380.652448	2490.268287	2371.982525	2875.889486	2229.636516
3.53_434.0018m/z	434.0017523	3.534466667	neg													1144.358411	1373.183537	1426.753392	752.6132367	781.3983658	608.695476	1248.361518	1365.284478	1655.33571	1328.497711	1324.400799	708.5521545	1335.42403	996.9320562	1311.608995	1344.793182	958.3682726	1674.884537	890.5509159
3.53_459.9823m/z	459.9822902	3.534466667	neg													4227.458936	4780.995086	4505.045516	4590.272544	3770.084088	4417.988137	3832.528529	3965.168664	4083.43438	4411.080884	4420.530675	4149.242884	4424.995103	4134.714151	3817.756842	4177.485914	3767.073017	4580.278301	4334.057182
3.53_461.9980m/z	461.998021	3.534466667	neg													4522.214088	4547.300893	4465.027143	4907.619583	4024.126295	4844.287386	4964.789667	4089.937487	3942.613369	5403.654442	4752.676434	3712.761385	5147.533167	5241.208356	4597.396393	4856.358327	4593.851856	5423.817483	4500.603339
3.53_465.0031m/z	465.0031479	3.534466667	neg													7598.343	7356.764459	7826.576409	7237.585486	7109.201146	7081.247943	7260.002461	7258.607094	6961.970339	7164.74972	8370.231782	6551.843806	6618.53185	7420.277706	6754.368984	7822.824016	7820.512734	7013.160785	7171.285697
3.53_466.2302m/z	466.2302208	3.534466667	neg													853.8498753	869.251195	679.9565245	274.1616674	1314.27574	512.1684567	1481.907861	616.6879731	612.4310622	1352.849019	1240.766813	0.000297236	920.788534	1074.147281	464.4641547	286.2512497	571.5547476	430.5986856	586.0158949
3.53_474.9587m/z	474.9586839	3.534466667	neg													1502.953413	1657.31173	2004.046091	1710.399856	1579.147118	2078.975838	1780.741406	1754.535344	1940.023973	1878.792013	2317.934058	2060.683474	2076.139986	2220.607781	1434.266663	2179.954015	1683.069325	1651.664464	1708.487164
3.53_487.1129m/z	487.1128792	3.534466667	neg													17112.30743	17275.84973	17452.9256	19378.25425	16576.32576	18152.05909	17450.7907	14025.48012	13366.42784	18357.68215	17027.19593	15801.32708	16815.34508	21141.95148	19347.24665	18676.71457	20968.95154	20171.63199	22780.16194
3.53_492.0225m/z	492.0224729	3.534466667	neg													5166.884908	5718.801345	6000.874206	5521.833277	6208.522795	5730.816326	5724.222515	6283.508865	6110.623862	5790.141153	6640.823096	6227.61438	4920.894739	6375.60314	5317.316	5609.162947	6132.728132	6253.428093	5958.928567
3.53_497.0692m/z	497.06918	3.534466667	neg													2620.987578	1964.780336	2341.561362	1845.928412	2466.998017	1747.588503	2219.865244	1685.13436	1440.806941	2217.769987	2430.750742	2319.892081	2826.61735	2468.365686	1950.423741	2073.008734	2792.431338	2449.719425	2564.149698
3.53_501.9771m/z	501.9770562	3.534466667	neg													1789.469982	1039.35963	1707.409096	1325.219595	1491.870472	1421.818066	1708.487393	1701.881208	1518.129106	1210.084504	1503.189581	1284.878759	1309.984101	1363.449211	1581.465312	2014.695311	1416.582242	1522.885805	1380.482192
3.53_514.1318m/z	514.1317861	3.534466667	neg													10318.85495	9268.781574	10987.21916	11064.60211	9647.079472	10463.36426	11961.96472	7839.395397	7543.421202	11546.36113	10824.89168	10758.87798	12047.08266	11937.74301	11306.33472	10513.06787	12678.09605	13267.03079	13544.53895
3.53_527.9700m/z	527.9699809	3.534466667	neg													1500.891764	1803.095478	1731.347473	1704.087021	1351.82199	1682.048504	1670.333516	1683.626301	1343.577811	1826.49171	2578.69028	2220.971545	1764.331017	1714.395057	1546.083651	2002.822206	1680.787173	2553.981694	1979.52077
3.53_529.9853m/z	529.9853431	3.534466667	neg													4417.091799	3935.888966	4324.975067	4301.784911	3658.116549	3868.995495	4091.237354	3633.354248	3350.8063	4517.27734	4810.421839	4305.579999	4605.616131	4395.716876	4298.579283	3758.017834	4825.957925	3953.787631	3477.165778
3.53_532.9908m/z	532.990831	3.534466667	neg													3734.39376	4078.572654	3508.590176	3352.853717	3647.580588	3872.204731	4132.264742	3529.080245	3447.190053	4134.95113	4353.787327	3865.178658	3119.391665	4179.849193	3564.424946	4556.817639	3781.751891	2937.626446	3840.977039
3.53_542.9466m/z	542.9466255	3.534466667	neg													1686.071181	2051.660758	1613.426332	1747.793116	1399.50976	1465.084491	2014.28119	1914.081724	1421.275848	1277.605143	1760.771564	1997.767614	1405.973591	2290.283633	1163.098277	2262.346872	1824.302934	1709.516606	1382.435731
3.53_543.0197m/z	543.0197111	3.534466667	neg													19389.03908	20364.27652	21680.92734	20386.54346	18837.01972	20069.42731	23164.87511	22684.91551	22218.27356	21836.21722	25792.20372	21024.79994	20097.21314	23503.21839	19227.2722	22654.13752	20381.17464	22354.79973	21140.57798
3.53_550.0794m/z	550.0794178	3.534466667	neg													2466.977069	1503.08735	2423.469948	2461.74985	2018.930549	2210.249796	2259.411913	1684.821609	1110.515906	1650.786731	2463.478183	2268.140559	2286.14665	2577.027425	2216.002404	2489.100248	2209.679861	2322.949684	2915.159349
3.53_552.0951m/z	552.0950516	3.534466667	neg													4985.180278	3859.709024	4523.80671	5455.256975	3511.876427	4492.83137	4790.823821	3049.233127	2512.796929	4534.077128	4474.380693	3998.634446	3808.793179	5400.941938	4417.282624	4333.959165	4812.045797	5027.002613	4615.409508
3.53_552.9751m/z	552.9750812	3.534466667	neg													14661.08662	15708.61408	15809.46206	14064.40913	13194.96896	14121.60534	16084.8987	13624.91315	14444.14444	13934.48566	16415.53865	15779.65316	13979.70454	16612.42993	13873.02578	15235.69815	16214.76993	15129.17058	14210.79358
3.53_560.0097m/z	560.0096784	3.534466667	neg													2898.775034	3553.078693	3411.015448	3445.036837	2915.668956	3323.093627	3765.212422	3234.891745	3110.89756	2738.802799	3824.083904	3807.256326	3061.135312	3545.002033	3407.392698	3833.7758	3913.797763	3784.158318	2262.719346
3.53_565.0556m/z	565.0555865	3.534466667	neg													1208.566699	913.5637403	1010.148287	930.0041204	744.2396399	1274.842101	744.1751864	691.4862735	714.7666802	998.6640453	899.0316799	964.4808572	1062.303371	1004.840237	947.4501181	827.5474388	1641.989444	1027.773177	911.1140647
3.53_565.1291m/z	565.1291079	3.534466667	neg													38584.6148	41207.60696	37551.22903	40828.22977	36236.46681	40271.7268	42055.36388	32349.02421	32091.30381	42547.08958	41581.84329	37898.32628	40480.32845	42543.70475	38225.50738	41811.50208	46398.5191	48190.25552	43146.75297
3.53_572.0900m/z	572.0899901	3.534466667	neg													1933.607131	1619.882607	2034.127051	1861.874144	1700.954375	2043.069368	1737.414186	685.8040552	1696.740807	1847.687307	2148.069334	1558.552167	1749.966187	2356.523307	1589.810978	1931.293315	1846.665319	1831.214981	1772.210263
3.53_582.1196m/z	582.1196129	3.534466667	neg													5343.026159	5805.871587	5529.991431	5293.390445	5187.085373	5190.111148	5967.08352	4011.913354	4658.043341	5249.671168	5888.944967	4794.026334	4625.413103	5222.093928	5719.611566	6672.711528	5931.073326	6027.57546	5814.033291
3.53_618.0660m/z	618.0659921	3.534466667	neg													1188.260257	1968.779121	2107.916702	1678.785206	1992.284473	1748.16285	1617.731196	1353.28794	1168.445978	2001.713747	1837.327851	1173.116471	1947.082284	1891.792906	1620.654868	1813.029675	1746.889175	2506.385042	2171.28741
3.53_620.0821m/z	620.0821295	3.534466667	neg													2956.929069	3223.752189	3169.829315	3536.078868	2970.576707	2986.666123	2989.383276	2024.344307	1746.630075	3674.219705	3382.603711	3515.628143	2263.211118	2866.113051	2481.425558	2828.930866	3697.051908	4060.40913	3092.637659
3.53_620.9624m/z	620.9624426	3.534466667	neg													8067.051597	8700.050038	7182.226122	9323.650688	7263.798645	6353.192008	7879.355896	8487.268175	8095.585136	6946.503228	9026.435225	7961.051324	7404.36801	7987.71287	7145.501642	8763.594849	8077.276347	8464.342916	8328.672424
3.53_650.1070m/z	650.1069998	3.534466667	neg													3214.44825	3620.333962	2288.875088	3771.368929	3508.948107	3528.942694	4362.22512	3711.725171	2953.179604	3745.358779	2921.576146	3222.38515	3747.891632	3951.200391	3424.341389	3381.730937	4256.90416	4377.072878	3154.482207
3.53_665.1816m/z	665.1816319	3.534466667	neg													5752.971151	4520.932837	5134.453257	4563.599953	5408.798985	4354.570693	5217.75471	3550.85758	2176.11013	4713.13893	3847.495842	5607.054223	5067.052616	7869.095913	6187.213683	6636.688986	7728.068962	5933.506042	9697.652673
3.53_688.0696m/z	688.0695908	3.534466667	neg													1384.931232	1566.191784	1580.447662	1325.004023	1434.50786	1910.644961	1265.586409	1533.63822	2103.665923	2720.933957	1871.959728	1963.914654	2159.678226	1510.823338	1388.594496	1915.037212	3307.988604	2175.497731	1529.183205
3.53_691.0749m/z	691.0749361	3.534466667	neg													1688.340574	2119.314109	2259.531464	829.9211122	1289.787683	769.0361429	2022.750854	1651.934689	2014.536524	984.902239	3075.523555	867.9382734	1279.728681	1796.797365	1785.320412	1843.91803	2273.483031	2883.810678	867.2506829
3.53_710.1788m/z	710.1787829	3.534466667	neg													1848.950156	1795.757177	2211.379913	1922.307729	1868.114075	1907.966557	1911.805452	1554.397865	1905.495023	1956.190042	2029.279711	1856.470894	1735.580975	2027.929211	2588.631526	2870.930463	2979.635047	3117.802394	2788.573956
3.53_711.0594m/z	711.0594023	3.534466667	neg													6857.245411	6949.486163	5981.770686	6971.379256	6354.812841	7088.185063	6335.762066	6019.152108	6206.781299	7451.442533	7067.417658	6470.319682	6903.130081	8190.512855	6434.630715	8092.148501	6928.447901	9879.144708	6517.468708
3.53_733.1692m/z	733.1692231	3.534466667	neg													5938.448384	4343.098048	4457.35381	5237.330622	4605.910626	4850.884603	4423.547169	3349.248076	3258.954107	5517.307993	4087.505277	4979.485611	5884.548388	5811.567946	5953.859553	4591.334656	5581.179399	5553.576333	7515.427013
3.53_740.2044m/z	740.2044179	3.534466667	neg													3384.237374	3186.041531	2385.726192	3204.818648	1676.694135	3069.062905	3978.46788	2175.916519	2377.847686	3097.315891	2976.072131	2840.270492	2206.480222	3312.280459	3611.412073	3169.528542	3983.828501	4027.477421	4633.014111
3.53_779.0470m/z	779.0469891	3.534466667	neg													4640.650397	5345.359319	4329.723151	4527.458075	3841.158667	5033.06536	5161.654897	4176.351601	3970.473178	5735.549768	4886.801118	5109.699477	4609.233937	4998.384814	4394.638126	5855.618633	5575.140498	4125.542975	3909.63957
3.53_781.1722m/z	781.172247	3.534466667	neg													1676.931223	1453.27455	2079.512207	1612.755822	935.5618259	1895.628247	2441.549876	2053.238971	976.6206717	540.7401458	1087.570615	1822.242081	870.7485492	2548.109755	2125.562857	1733.233295	3268.103179	2412.537884	1386.811718
3.53_801.1561m/z	801.156124	3.534466667	neg													5284.191105	3757.275025	3826.636612	5170.59205	4485.089649	3900.625822	3858.368295	2817.938373	3020.137484	4634.58091	3693.411728	4857.229224	4782.544387	5443.554158	4346.092665	4575.035863	5019.676926	4980.865793	6937.298569
3.53_837.0784m/z	837.078426	3.534466667	neg													3990.100663	5033.091888	3484.662865	4703.516347	4487.906721	3338.435731	4714.055681	4218.497445	4718.433482	3837.454918	5289.56331	4223.751531	3976.041242	4027.442045	4118.08056	5414.903665	4444.68608	4841.084287	2959.863661
3.53_847.0339m/z	847.0339462	3.534466667	neg													3369.26075	2780.808097	2321.308442	1502.145577	2318.385572	1637.695833	3488.63413	2607.221262	3379.343301	3444.715952	4046.787764	2305.572634	3161.441293	2293.137308	3496.541002	4016.240663	3430.845981	3529.355654	2132.870606
3.53_869.1437m/z	869.1436599	3.534466667	neg													3496.671759	3024.184183	3863.978124	2720.463964	2069.562218	3832.609003	4152.450695	2795.022475	2008.827385	2862.087818	2982.321246	2717.013306	2777.790267	3915.201801	3449.345331	4385.739778	5181.454072	3522.761222	3632.140413
3.53_881.2980m/z	881.2980027	3.534466667	neg													13074.72613	9581.778317	12603.88399	12068.37356	12057.69861	11054.85289	12554.86774	7501.606174	5311.169436	9761.263014	11961.12469	12165.04312	12063.32405	14490.79407	12345.1681	9846.252435	15911.63691	12116.79428	24977.46136
3.53_905.0650m/z	905.0649882	3.534466667	neg													1377.855152	2455.977767	1961.667601	1494.773974	2059.114566	751.9934666	2842.381743	2652.340922	2424.80074	2136.353403	1828.810425	1604.921508	1486.515648	1447.707295	1188.204756	2905.916732	2106.644378	2208.975134	1443.702033
3.53_927.1759m/z	927.1758508	3.534466667	neg													2846.948309	4829.061877	4655.495175	3649.936138	3179.202219	4814.8553	5771.643614	2179.718529	3549.542158	4152.599268	4607.213598	4122.733241	4502.328268	4013.735591	4500.82464	5228.67889	5381.682274	5103.729969	4668.393565
3.53_949.2850m/z	949.2849651	3.534466667	neg													6317.608608	5344.736043	7115.358856	5663.150119	5727.055329	5149.099028	5843.47403	4510.9757	4281.958057	5807.18129	6330.047719	4196.38814	6164.964627	7421.771597	5641.894489	5464.490838	7294.876015	5362.882927	9720.200659
3.54_114.0472n	132.0807181	3.538083333	pos													12286.27526	12730.00328	13523.45843	13060.88364	12688.18144	13168.02493	13353.54573	10654.70731	9502.552498	12532.67734	12635.08203	14623.13581	13668.67134	14656.50722	15079.53667	13280.76605	14141.86256	14264.26532	15295.32808
3.54_145.0351m/z	145.0350845	3.538083333	pos													1267.173543	1012.096329	1040.169511	1343.905093	1078.628548	1342.625264	1107.110929	1317.477024	1173.231642	1317.636429	1284.954807	1011.493996	1318.882463	1181.600013	1375.966909	1195.53303	1203.666323	1450.552132	981.1902118
3.54_150.5250m/z	150.5249914	3.538083333	pos													1085.858449	1117.238118	1258.595234	1656.086768	1278.256416	1191.237233	1178.155871	938.982603	781.1191951	930.1368132	1248.276585	1899.520323	976.5777615	1248.748931	901.7520349	1084.187923	1135.081675	1136.441897	1130.098169
3.54_189.0699n	207.1030253	3.538083333	pos													23191.39679	25940.46732	23859.28625	23340.15651	24199.77299	23556.21715	21654.26397	17807.67732	17398.99562	21600.98234	22680.31286	25315.40401	24297.71456	26373.87162	26893.06225	24207.00898	26473.42276	24267.56342	27980.16272
3.54_226.0715n	227.0787439	3.538083333	pos													121349.5351	134651.729	127976.7155	131115.0214	129457.4369	132872.3237	129768.4294	94645.56298	95657.73688	121722.711	116716.8387	140361.5311	139412.0488	152082.6782	153128.345	123425.6505	139342.3141	143933.5091	158831.0998
3.54_454.9135m/z	454.9134989	3.538083333	pos													2159.686985	2165.726397	1922.290283	2416.214364	1949.366763	2101.258417	1011.336354	1816.254123	0.000297236	3167.982522	3807.911656	0.000297236	1553.029585	5031.409171	2426.230069	1913.559348	3046.353231	3208.570418	1160.026285
3.54_468.2452m/z	468.2452266	3.538083333	pos													7254.96584	7659.820179	6667.868974	5643.277452	7467.792751	6393.14281	13869.10514	5619.63274	4806.20787	11976.11403	8850.776649	986.0704992	7868.011934	6978.440938	5829.210855	5333.356602	6291.517393	5335.334978	8638.460664
3.54_478.7692m/z	478.7691546	3.538083333	pos													6118.759202	7348.085654	8212.263368	8247.731942	7896.447667	7187.319113	2878.744323	8343.021846	9268.518124	8412.30148	7261.572256	8645.890669	7191.065244	8230.124355	11017.38042	10488.63409	8412.079886	9822.8327	9111.691537
3.54_479.2701m/z	479.2701318	3.538083333	pos													3986.210026	4780.879039	3038.199389	3677.478182	2167.974946	2693.513119	2291.250697	3589.173498	3150.392624	4083.41533	2413.892446	2327.372814	3889.035016	3482.340967	5247.386706	5181.474109	5113.914051	3819.133046	1950.651421
3.55_105.0156m/z	105.0156297	3.554916667	neg													418.5413647	402.6857023	403.0560648	495.326672	494.220133	444.5793996	473.9451509	491.8166475	415.7067915	404.2683116	366.1246746	483.7586298	456.4606568	471.9922787	452.6717048	523.8389071	452.9334479	412.8435465	373.1823708
3.55_121.9425m/z	121.9424969	3.554916667	neg													2001.337921	1723.490295	2016.532625	2068.932446	2000.022854	1928.454924	2116.905738	2038.747931	1973.924848	2176.167642	2119.194616	1802.907636	2196.508283	1976.126922	1953.185309	2245.229249	2131.709223	1946.406217	1888.388714
3.55_204.0292m/z	204.0291779	3.554916667	neg													893.6226009	886.3216316	661.7723201	1034.678864	834.8667154	892.5403072	524.3356228	1352.867246	1262.434459	831.7696492	712.8464931	1713.935268	909.9488431	878.5756469	1086.565923	652.5661797	897.672557	809.7332307	775.7887089
3.55_287.0438m/z	287.0438364	3.554916667	neg													1856.046728	1844.827958	1887.806217	1257.613012	1879.847512	1072.427867	1651.353359	1374.94531	1661.966004	1914.21881	1856.549344	1485.685392	2004.921838	1757.198303	1780.571238	2053.45235	2023.1645	1958.783561	1754.995942
3.55_332.1252m/z	332.1251586	3.554916667	neg													1614.73801	1779.851802	1962.389807	1374.424924	3119.527784	3226.504777	3032.019688	1191.830068	777.8553481	2875.519708	2194.744901	394.7177953	2091.498807	1856.72527	2213.049772	1305.32506	2225.581672	1114.619341	2418.223779
3.55_481.9934m/z	481.9933862	3.554916667	neg													710.4815836	534.8596136	650.7654419	685.9385796	712.9169971	474.7769254	834.9265169	863.012801	683.9262585	922.1964653	779.975456	383.4065941	505.5026769	668.8377705	1061.500052	560.3119753	804.3982208	802.2335839	540.5643477
3.55_482.9922m/z	482.9921516	3.554916667	neg													777.9926549	454.9678187	558.2726593	962.7595305	711.0050965	814.0374027	904.898248	206.65717	328.1738771	844.0546145	1049.64671	865.5107231	805.6771163	821.8042704	683.5738373	744.6323393	751.8732754	790.928006	322.5443081
3.55_611.0070m/z	611.0069584	3.554916667	neg													10881.65137	10887.69638	10465.32617	12013.19491	11337.81041	11484.0902	13274.58053	11924.26348	12171.78958	11893.00312	12912.25077	10421.3105	10475.22949	12305.8803	10867.48142	13631.14354	10027.39893	13221.89416	10934.87197
3.55_678.9944m/z	678.9944419	3.554916667	neg													7282.703052	6801.31835	6765.520878	6005.310688	6627.558139	6833.106873	7820.077706	6470.564996	7923.859816	6229.649335	8653.643916	6496.0935	6057.901899	7458.124886	6403.663404	7447.959219	6020.713602	6726.593719	5924.040515
3.55_688.9496m/z	688.9495529	3.554916667	neg													3805.867358	5373.094316	4617.330843	5229.856385	3740.270573	5036.299955	4382.685346	4371.062689	4466.922079	4544.222521	6908.235912	4685.703269	4294.489675	5477.541865	4571.823803	4729.975581	4661.818283	4457.21739	4375.459736
3.55_746.9821m/z	746.9821038	3.554916667	neg													3099.63111	5671.001876	4600.448513	3783.632782	4225.819156	2935.107844	5606.425175	4494.584381	4875.541426	3230.858246	5652.193653	4871.83931	4560.025069	5612.853704	3382.636956	4661.722122	3920.562455	4083.010882	2751.540496
3.55_756.9369m/z	756.9369211	3.554916667	neg													2923.616237	2562.920738	2687.771313	2453.400006	2060.990798	2443.665873	2597.191563	3009.169715	2572.005515	2379.480771	3528.308114	3771.368093	2586.815818	2959.493596	2179.366946	2977.684378	2438.158876	2764.221136	1991.578189
3.56_269.0589m/z	269.058915	3.556983333	pos													1150.004315	1623.96136	1534.423676	4076.805892	375.265747	237.6821542	457.5303953	74.78718662	0.000297236	76.515584	1959.932325	1919.347959	383.7469282	743.4524882	1525.678792	3477.76625	1883.131577	2714.994219	138.0870747
3.58_302.1356m/z	302.135591	3.5769	neg													3232.70917	3243.199188	3573.849566	3388.703607	4472.861435	6934.293622	3933.864753	2452.154759	2246.255095	5914.44069	3146.019858	2499.180793	2952.305968	2739.924741	2912.791515	3010.297223	3338.032707	3359.451989	2898.335735
3.58_324.1176m/z	324.1175753	3.5769	neg													993.0883822	1290.32076	1182.622899	928.3061981	1282.583239	2143.73875	1159.609571	532.618997	632.8332182	1815.413315	894.3533384	715.3879349	914.33985	699.6938138	852.0521085	820.806948	964.0756525	1071.417919	1028.273931
3.58_362.2048m/z	362.2048352	3.576816667	pos													2276.825958	2327.654437	2393.616425	1760.353705	2158.076549	1916.867863	2738.565111	866.9666774	761.0279464	3460.348825	1810.859954	1239.086099	1519.160985	1293.622062	2071.579519	2686.825077	2314.858447	2550.078158	2270.853709
3.58_365.5207m/z	365.5206674	3.576816667	pos													1736.906117	1354.561473	2162.67746	1566.549723	2823.876606	721.3959522	2030.604904	477.5491396	414.3504018	1910.889864	2360.744769	695.9922925	1442.17117	1991.664003	1383.690837	2129.968024	1828.166698	2610.271804	2121.697551
3.58_365.8550m/z	365.8549537	3.576816667	pos													731.5780565	649.6182143	953.0167812	970.6442569	1469.640291	662.0170084	1744.31893	267.032904	125.8786623	1054.690912	1190.768878	341.8893072	1198.8076	711.3765808	679.6792378	1254.09802	861.7046249	1028.419683	1423.647458
3.58_387.1885m/z	387.1884784	3.5769	neg													50.27976922	52.77408672	60.91528702	0.000297236	197.7943829	0.000297236	250.7766256	59.12976288	71.61856815	155.0395467	0.000297236	0.000297236	195.9972967	228.0307175	94.10227338	61.66836397	118.8452207	57.38528873	119.7288217
3.58_422.7264m/z	422.7263979	3.576816667	pos													1445.789439	1683.913697	1582.321027	1211.690294	1765.242772	1022.989838	3235.913195	1152.422301	389.6787184	3418.802686	2547.144319	302.8293575	3167.060631	1149.44675	534.4834804	903.7052803	1162.966547	569.1841704	1465.242756
3.58_422.9773m/z	422.9773334	3.576816667	pos													880.3228558	703.7878871	904.5197754	576.5515481	1370.128249	1974.911345	2353.770083	1351.223462	1612.250903	2349.322949	1796.470823	432.2930259	911.7842668	1287.038559	865.6679562	1028.53673	1857.44247	947.4134294	1190.075572
3.58_423.4790m/z	423.4789774	3.576816667	pos													126.9495868	219.2446164	203.2959145	434.3034921	271.8336224	0.000297236	610.0788102	309.2594664	0.000297236	452.0901736	0.000297236	0.000297236	194.3663297	255.5274999	0.000297236	297.4570627	344.7587347	193.798431	0.000297236
3.58_598.0601m/z	598.0601335	3.576816667	pos													1048.60556	1109.905319	1188.931282	1946.940045	1065.591182	758.7721299	759.358875	3417.461001	4020.83293	0.000297236	1374.932008	5783.866729	340.547871	233.102868	436.739904	989.1719842	1349.843447	1169.337831	0.000297236
3.58_651.0120m/z	651.0119517	3.576816667	pos													940.5566752	991.2685789	1086.355835	1587.073889	1005.645275	1299.260465	1034.202604	819.6081183	642.9108936	1434.999668	585.5478483	1587.944024	829.6803784	766.5394731	2080.345375	920.0228232	2104.139542	1676.187414	838.4355406
3.60_113.9606m/z	113.9606449	3.598316667	pos													32.32824217	24.99644282	32.3992157	49.81271282	24.65627158	0.000297236	54.26473496	57.72314815	22.55844156	56.57212492	27.42813054	62.5696478	43.7168902	33.44255424	0.000297236	51.28947239	0.000297236	17.57253038	24.98876841
3.60_116.9721m/z	116.9720649	3.598316667	pos													250.5069514	282.8013069	229.3286545	322.8555497	226.2692015	350.2477554	246.0454008	238.0662577	299.7209148	333.4276016	348.1357621	252.3696626	354.1372906	266.8471079	227.2714007	322.9871628	238.11602	336.4347919	268.5098529
3.60_145.0183n	190.0169632	3.597883333	neg													3685.069941	3597.274315	3121.609849	3326.00301	2282.31838	2325.735571	2113.176589	7065.373081	7149.899297	3808.096498	2749.331075	6056.819721	2264.166502	2570.510044	2309.020794	2285.930097	3040.422757	2948.491847	2655.894911
3.60_156.0112m/z	156.0112313	3.597883333	neg													346.5351259	388.9769178	378.0127127	347.1794289	164.1874956	146.480787	19.35434444	1118.095051	736.9324734	66.19049468	57.92223906	1780.620873	95.25571291	44.08150675	141.9066962	123.2685841	136.6668929	300.8953087	323.5762513
3.60_200.0014m/z	200.0014008	3.597883333	neg													1134.21942	1208.533784	1254.440615	980.1189438	603.9148552	546.562654	93.3591104	3456.274618	2701.430306	246.1226581	270.7409504	5784.657447	256.0700658	145.8603816	417.0160954	381.8203672	482.7046938	1071.851525	1111.044306
3.60_202.0168m/z	202.0168048	3.598316667	pos													1371.546343	1633.518893	1382.423286	1278.175516	635.1389076	541.6631817	190.5679487	4347.872707	3346.629993	226.3989326	363.1505014	7998.785573	467.9931462	409.2764568	577.0048466	525.0217816	724.6415689	1403.880847	1245.141954
3.60_222.1697m/z	222.1696734	3.598316667	pos													52077.51596	59135.87054	49405.8816	52475.22816	47286.50623	51087.21635	49901.95928	48366.91482	50802.18392	50424.79645	51066.06497	186707.9189	61226.86957	67646.32786	59218.90987	57668.21455	53364.5188	53699.15385	47792.72637
3.60_228.9023m/z	228.9022899	3.597883333	neg													325.1621121	450.6085098	347.0415883	479.8093693	523.4744993	398.3902776	590.36251	406.1508137	505.3190098	520.0022554	520.9057478	517.925348	394.3329905	485.3075673	368.5688408	504.3680472	559.9175457	473.9830698	450.9532806
3.60_229.1552m/z	229.1551667	3.597883333	neg													417.5332275	419.2791248	479.6282806	300.8060116	591.6096486	359.4168811	656.8797016	182.7468962	84.9408171	594.8578326	372.8432712	212.83349	506.0212971	614.9695036	515.2929396	509.6322534	588.2141983	327.6843991	567.0079068
3.60_231.9915m/z	231.9915103	3.597883333	neg													2023.252199	2016.87009	2230.107089	1460.170546	1859.891428	1607.182759	1022.13466	7617.509317	3425.079158	1466.708086	1131.036016	4334.759522	1165.697849	1350.401023	1670.096389	889.8711667	1639.34088	1156.376474	1731.612293
3.60_234.9564m/z	234.956383	3.598316667	pos													2174.852856	2382.291031	2749.925489	2415.61493	2288.241193	2776.061022	2268.421621	2247.854176	2434.522047	2629.729334	2560.821438	2352.59177	2169.871204	2065.435894	1826.980554	2775.113812	2457.274447	2819.424173	2477.91445
3.60_267.9897m/z	267.9896909	3.597883333	neg													962.4328997	986.9714948	1027.935197	892.5749186	588.2230923	578.8365471	252.3055283	2452.884832	2033.930427	386.0526805	427.898186	4481.354629	255.3926372	283.7840816	398.1912386	477.3354118	463.4430689	985.8619194	922.6951468
3.60_270.0077m/z	270.0077177	3.597883333	neg													2916.394145	3067.984891	3064.722276	2219.18263	4558.572565	2990.490927	2115.939165	9574.945677	7009.387882	2344.630147	1365.676689	3923.331776	2120.817163	1722.431601	1853.344265	1748.083589	1972.925938	1788.538241	2335.067383
3.60_276.1805m/z	276.1804504	3.598316667	pos													8793.435883	10032.47045	8385.2279	4994.107207	8756.851091	8277.845675	6105.104604	20334.79085	26648.58822	5735.998981	7477.94697	14555.19829	6248.484297	7078.787095	6888.507275	6194.359594	6602.843102	4806.880531	5930.527662
3.60_291.9897m/z	291.9896672	3.597883333	neg													720.478799	630.2787408	612.8711977	463.8831269	1019.123022	410.6206963	414.1815454	1876.898505	1372.952875	378.325692	424.2206579	783.771076	485.4359216	390.149691	334.2932758	310.4177445	442.7984248	423.8427531	494.0509428
3.60_296.8901m/z	296.8901008	3.597883333	neg													858.4840635	828.2610957	771.5682969	1345.559896	1258.366861	823.671218	1171.606808	1052.894845	965.7573882	793.9771925	1015.593038	1150.978895	822.6430214	1156.987826	1136.862614	1177.841848	1307.123767	1236.215204	1155.15974
3.60_335.9772m/z	335.97719	3.597883333	neg													619.6265188	523.4459501	566.2942288	384.1638569	414.2846613	319.7433062	88.87541944	1279.670898	931.7089364	123.9725275	267.1355254	2088.686462	171.2722935	115.1284368	159.4644206	186.4723873	198.6005736	633.0799488	340.0480208
3.60_336.8585m/z	336.8584789	3.597883333	neg													908.0678816	663.7718156	793.1376305	670.558965	542.675678	309.1926957	791.4700479	573.9186693	903.2744965	803.9565175	853.4687435	649.3426416	644.0279154	672.7782097	794.0979398	637.4441264	610.4799825	627.4952729	632.2114035
3.60_350.7046m/z	350.7045552	3.598316667	pos													1213.892555	1305.066323	1000.201241	1732.780762	1022.16746	640.0462737	1207.340893	785.9449341	329.0179185	1463.166286	1012.454999	614.5420748	536.3205001	1785.773886	305.4526494	740.6080977	394.5530495	726.3188003	837.4025969
3.60_362.5392m/z	362.5391912	3.598316667	pos													925.9161526	1037.397848	921.6995861	1369.30861	1261.752639	871.9028172	1260.325476	650.0719475	497.5047762	1642.063914	1067.965904	809.6935463	532.0520612	367.8172711	761.7626271	1546.505075	969.8953839	1180.965341	1464.842432
3.60_362.8714m/z	362.8714054	3.598316667	pos													254.2966985	307.782558	298.2151337	0.000297236	439.4356897	564.7475678	899.9789773	122.3137168	108.6871954	692.163855	458.0167831	205.0983914	295.9250728	377.4531812	722.5859414	229.423496	111.8412545	179.0920861	242.7664438
3.60_381.8807m/z	381.8807413	3.598316667	pos													163.1419565	162.3009375	156.2666849	505.8460823	457.7922974	206.8131227	393.3375556	192.9383561	0.000297236	465.9206425	259.6265028	157.7534928	151.3070478	352.0850948	308.7299237	143.2101738	192.4731534	0.000297236	252.0977123
3.60_390.7262n	373.7229194	3.598316667	pos													2470.962261	1923.932278	1902.127213	2837.230245	3329.518426	2161.677679	2403.433436	1921.626636	1607.36345	2608.660381	3393.443412	1580.285096	1601.952285	1647.195638	1888.534782	2523.360329	2289.134895	2177.129539	2813.498316
3.60_391.0102m/z	391.0101925	3.598316667	pos													3962.599098	4637.242072	4664.422477	3554.042446	3111.070267	3792.434737	2897.927065	1637.115039	992.350276	3655.61764	3586.813925	3853.296608	4498.49959	3637.474468	1513.359498	5169.872975	2954.138793	3302.550496	4154.599158
3.60_408.4810n	391.4776871	3.598316667	pos													1589.667458	1278.168905	2094.710045	1782.119573	1425.470857	1516.725934	1044.368218	1969.304568	1081.630294	1428.362829	1481.5694	1344.011513	363.4574831	697.0043855	1568.585657	1805.627228	1532.173371	1023.426097	1809.738801
3.60_466.2636n	489.2632916	3.598316667	pos													2821.82423	2235.532984	2356.37963	3593.263354	1595.536928	2375.207083	2991.516814	978.7252163	1278.51945	1769.778592	2209.263334	2194.281785	2680.079667	2126.957506	2560.180767	2020.683341	3075.637231	2054.628912	3281.589029
3.60_488.5112m/z	488.5112136	3.598316667	pos													8320.978302	9008.85942	8781.630873	7664.19819	5523.604363	10832.49611	7363.235499	3014.352016	4321.780658	6662.024367	8194.210511	6963.128359	10823.54426	9547.789017	9806.43205	9493.905105	10801.56848	9518.745089	8289.392828
3.60_488.7619m/z	488.7618885	3.598316667	pos													8312.447044	7320.802778	7325.364175	7690.615595	6063.892638	7396.917534	6352.095534	4266.471435	3926.451446	5699.969523	7089.564954	8849.096498	8696.468026	9852.756771	10690.45665	8188.726221	9771.241672	8522.273313	7225.459608
3.60_489.0126m/z	489.0126198	3.598316667	pos													5002.123784	6324.313946	4563.121277	4406.56641	2430.615163	4966.748532	3667.929698	1883.806418	2213.725134	2563.735896	4286.124422	4680.118891	5089.623191	5459.438306	6160.529585	5546.273812	4955.590948	5646.423822	3527.419918
3.60_491.2349m/z	491.2348836	3.598316667	pos													2311.38248	2180.179248	1796.075813	3037.30807	1845.381865	2458.800001	2694.002411	2010.558576	3414.212287	3255.085653	4707.779356	2888.163801	1330.223536	1153.459802	2153.619601	1988.838109	2327.988181	2522.902481	1493.022159
3.60_491.7363m/z	491.7363397	3.598316667	pos													965.6630319	1336.563627	880.2151659	1499.3498	1532.14922	1052.079578	705.0252185	973.1458962	1237.252762	1646.516466	1819.612918	1386.128803	503.8116416	729.591245	1053.86566	607.2916288	955.7446866	638.8085986	396.8643365
3.60_664.7851m/z	664.7851254	3.598316667	pos													16300.17152	13222.0946	15269.67264	5783.706	21238.43502	18693.52502	7413.606578	19323.83415	19802.28638	22044.87079	6654.012262	13032.82838	15135.6348	15568.70551	9238.114821	9972.38176	10674.39161	8914.185942	15664.20613
3.60_665.2867m/z	665.2867048	3.598316667	pos													6533.866884	5773.692641	7449.148286	2354.587803	11436.19773	12205.34854	2729.651808	7848.636299	10399.48979	11915.6002	4119.536659	5369.466411	4245.117752	7145.981029	5485.451286	3606.730422	4609.160109	4591.732121	8080.673302
3.62_130.0862m/z	130.0862487	3.619366667	pos													1234.274226	1257.16153	1157.546801	1318.188808	1130.390763	1192.429106	1431.497358	1363.598398	1032.123103	1230.401951	1319.937554	1450.759159	1229.598952	1211.681033	1205.188405	1415.915555	1203.285563	1283.700073	964.6095189
3.62_187.0601m/z	187.0600655	3.619033333	neg													691.4991654	633.7449714	668.8279618	482.8403362	689.7287351	409.5915055	382.9535401	2790.441288	1144.345343	437.087155	290.3580605	651.4472451	375.8570448	406.1688295	375.9505541	429.2813576	419.6928617	386.399047	393.5952443
3.62_232.9862m/z	232.9862256	3.619033333	neg													942.4761768	757.1230344	951.4435857	699.7580888	956.1660899	580.2926648	821.1484913	1163.030912	994.0926529	814.8017059	821.2109738	874.0547054	634.5539095	977.3777499	853.9561102	950.6886298	738.7668661	771.1417191	611.0440802
3.62_237.1230m/z	237.1230172	3.619366667	pos													2221.766215	2617.847358	1849.18619	1841.900339	3214.19086	2400.050054	2028.517825	1672.625529	1680.826655	3527.292844	1872.380687	1667.545826	2928.906298	3196.5225	2894.494656	2659.169547	2961.738638	2073.857928	3165.121024
3.62_308.8641m/z	308.8640768	3.619033333	neg													1663.418003	950.3956604	1616.976959	1403.97656	1351.635184	740.9592458	1401.459795	1267.911558	1318.222323	1119.894587	1283.846376	1460.594167	1464.83126	1364.276962	1371.478568	1518.738553	1338.082196	1466.702685	1257.097206
3.62_313.9368m/z	313.9367939	3.619366667	pos													744.9229649	671.6649528	461.0365067	437.9765041	657.5549093	824.8116112	503.0492687	930.8165652	645.225123	549.6845521	333.8857348	1335.949111	0.000297236	218.841032	354.9022027	524.827921	0.000297236	360.5020518	203.0098509
3.62_314.1875m/z	314.1875314	3.619366667	pos													244.9375264	326.2042173	277.0822187	0.000297236	514.3448257	153.4525545	256.7424705	571.1907025	828.1087565	236.0396524	402.6930685	529.3254583	292.0770053	210.8891484	354.4515406	386.0589669	311.9355217	485.4542326	414.6723717
3.62_381.2122m/z	381.2122335	3.619366667	pos													1577.740686	2308.488091	1965.435919	2539.77415	2097.890765	2263.136889	1890.559374	1378.237192	696.6240594	3429.599932	1877.207542	928.8872452	1246.734749	2001.150584	3011.467235	1978.946126	1765.360143	3281.645604	2141.93268
3.62_381.5465m/z	381.5465228	3.619366667	pos													1315.402883	1053.2014	907.8460189	820.2019621	1043.041688	889.6655659	1171.885116	488.4561965	173.1884064	1684.720512	705.2911462	645.8848693	689.1860015	989.9396784	1352.187758	1038.48104	1172.014626	1254.34822	1017.357908
3.62_394.2213m/z	394.2213004	3.619366667	pos													381.3269291	628.8663665	562.3701019	927.8329271	504.2211667	283.431455	1955.12144	612.5486422	195.8675043	1589.49213	755.3620964	251.438856	477.6116792	1199.883264	747.030029	278.6787714	274.7626254	1149.045153	0.000297236
3.62_492.1248m/z	492.1247526	3.619033333	neg													1729.55293	1452.11792	1435.981232	1563.299942	1526.425724	2080.197289	1092.067055	1139.609343	929.7419449	1032.82674	1785.230237	1377.880602	1633.520833	1701.098511	1895.694364	1330.758787	1629.352251	1814.034637	899.6174789
3.62_622.0748m/z	622.0748277	3.619366667	pos													1302.670022	2121.181816	1309.434265	1551.407473	1599.431489	567.7954357	4335.609277	2866.30447	3142.479344	626.8491435	2030.615182	888.4071592	2198.066805	3229.553131	2100.278692	2006.169241	2854.592976	1409.872764	3130.551542
3.64_181.0050m/z	181.0050077	3.640283333	neg													2831.309839	2613.772438	2890.886294	2887.072898	2982.212418	2881.202529	2726.906807	2641.237074	2626.306178	3260.867986	3091.870585	2406.996255	2670.580723	2773.107706	3216.906401	3097.031699	3083.884558	2647.054925	2769.921225
3.64_199.0390n	198.0317496	3.640283333	neg													321013.912	321527.2303	339088.2597	345488.1181	352002.8552	335307.6405	321819.235	320881.5586	306064.4904	367569.8132	350382.6726	269117.7645	333777.5942	316847.8141	367199.3015	362484.3043	358182.598	311965.5597	320881.2559
3.64_199.9545m/z	199.9544963	3.640166667	pos													4353.351329	4046.710689	3848.419014	4340.5882	3426.547815	3325.275846	2894.786146	3837.343779	3218.835255	3576.176401	3841.945228	3192.579537	3590.467923	3744.058165	4762.341864	4227.996573	4329.902318	3071.811926	3859.083908
3.64_225.0718n	224.0645337	3.640283333	neg													532.1986922	500.0964299	407.5072354	0.000297236	0.000297236	0.000297236	0.000297236	3543.268849	4618.884297	8.67741345	9.787408521	2070.475101	7.631563065	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	4.84758803
3.64_255.9911m/z	255.9910868	3.640283333	neg													12244.93937	11491.74154	12574.57131	11481.71188	12422.15253	11579.64224	11864.26473	11385.52927	11092.23813	13202.58764	12553.82787	9732.964037	11293.98043	10699.73937	13070.51458	13010.67358	13372.14119	11554.87563	11547.07254
3.64_257.9882m/z	257.9881819	3.640283333	neg													9006.040069	8082.01214	9298.552352	9009.339258	9307.376953	8579.134892	8443.622531	7969.73348	8038.824378	9476.029664	8864.55327	6563.003579	8874.740841	8214.554573	9753.151599	9522.076327	9553.791798	9062.373128	7785.959302
3.64_266.0200m/z	266.0199824	3.640283333	neg													199921.2571	204341.3167	210444.7027	212425.3294	210239.489	213190.3221	204334.4751	198589.5313	196645.1493	227496.3459	222554.4077	168093.4134	200235.9927	197822.0183	230913.7953	225982.3392	220089.7789	197716.147	190165.4044
3.64_268.0170m/z	268.0170391	3.640283333	neg													66436.65115	65888.55111	68494.38656	70557.08943	69976.39	68179.30942	66103.23701	62752.40661	63192.69696	73464.14703	72363.39191	54442.21885	68223.81638	65198.84719	74352.80083	73489.66664	73092.25887	63370.88175	63740.40282
3.64_282.1149m/z	282.1148634	3.640283333	neg													370.6110659	437.4644184	338.9271698	340.2414795	395.8992489	372.2326317	231.8607134	375.8562895	538.6374031	369.0713053	186.0724586	294.981028	225.9361226	267.4636162	244.1482977	211.3027402	260.0002621	142.6379385	370.0656526
3.64_294.0208m/z	294.020783	3.640283333	neg													2742.015263	2950.55126	3209.614336	3026.533752	3083.521266	2720.56858	2890.720922	2872.891531	2458.757902	3100.241071	3036.055998	2386.539851	2720.928842	2922.643358	3138.53905	3180.578917	2668.506309	2793.444826	2504.373832
3.64_304.0570m/z	304.0569659	3.640283333	neg													838.7293058	895.4670533	1309.91131	577.599793	1123.294076	1076.158401	1015.17068	1002.484041	804.1512884	1389.863614	1453.241256	710.7807492	1201.913702	987.7388506	1118.386453	1236.177431	1016.879418	752.0117094	857.9804448
3.64_310.0463m/z	310.0463001	3.640283333	neg													3086.198271	3087.650907	3249.920136	2880.434067	3526.426375	3344.765695	3193.661581	3013.50842	2932.559476	3527.634349	3132.67971	2650.67246	3509.466731	3311.120951	3508.404523	3256.367613	3452.470556	3286.894083	3147.810104
3.64_323.9786m/z	323.9785946	3.640283333	neg													8998.579134	8464.885546	9244.100629	8793.59777	8604.659462	9078.834827	8579.624095	8006.11691	8225.061258	9109.366471	9237.300183	6695.42007	8506.266543	8614.354779	9273.132645	10246.86198	8819.089354	8763.716416	7871.101899
3.64_325.9756m/z	325.9755963	3.640283333	neg													6279.767951	5879.553214	6232.424422	6693.400347	6399.142317	6500.039343	6258.739255	5919.442137	6146.203068	6247.317294	6786.50893	4840.115553	6403.170472	5816.438131	7394.534286	6990.477033	6953.654083	5733.225207	5463.661932
3.64_334.0075m/z	334.0074683	3.640283333	neg													91816.22733	89820.71921	92692.08745	97212.58954	90892.84287	95082.94362	91434.11431	83917.93138	86939.16893	98498.57593	100764.4212	76228.48107	90196.3519	87873.0678	102584.2011	99485.96078	100820.6624	90289.41079	83037.63572
3.64_341.9673m/z	341.9672719	3.640283333	neg													1608.619454	1233.251449	1526.900695	1966.761794	1416.933282	1570.425511	1607.33067	1215.28943	1220.069314	1597.924111	1501.286189	1458.069701	1499.123181	1206.177898	1412.794364	1706.187322	1154.68354	1204.68099	1212.408475
3.64_343.9627m/z	343.9626989	3.640283333	neg													26041.99715	24086.18229	25050.57863	27082.82909	24228.42709	26110.15534	23923.51124	22215.74621	23153.15757	25555.35212	26016.90871	21891.69756	25005.6614	24649.22685	28654.01927	28100.24805	26718.0013	24400.37042	22315.51805
3.64_346.9670n	345.9597287	3.640283333	neg													16517.25747	15423.54808	16004.49128	17115.77632	15404.72254	16696.44844	15600.14696	16099.81084	15210.68821	15964.48144	16933.18796	14488.40003	15063.05918	15944.2839	18175.63937	17530.43641	17025.18811	15180.16459	15257.96925
3.64_350.9975m/z	350.9975002	3.640283333	neg													9062.02216	9130.716968	9723.367886	9646.395916	9759.156165	9735.588354	9248.102637	8356.94971	8393.914248	9967.404727	9159.434028	6750.746231	9185.747255	8319.402187	10524.07428	9906.666232	9418.40755	8752.173927	8818.362135
3.64_352.9945m/z	352.9944565	3.640283333	neg													2567.769958	2853.968561	2692.622099	2593.668728	2320.153442	2514.097231	2765.200138	2448.472827	2204.584527	3118.241451	2877.50536	1969.946729	2457.527421	2436.523163	3334.729804	3077.068099	3031.654969	2573.102918	1981.329935
3.64_368.9181m/z	368.9180507	3.640283333	neg													4114.660398	4359.949608	3688.853139	4301.748794	3817.682396	4639.704025	4360.669635	3464.348747	3739.829229	3740.252015	4348.792616	2861.487886	3510.682277	3588.969354	4458.671806	3881.976032	4710.814426	5058.604354	2735.054727
3.64_378.0336m/z	378.033634	3.640283333	neg													1432.975363	1388.735863	1624.135512	933.12567	957.2757082	1646.216618	1014.048203	1129.748226	1112.31361	1513.950334	1126.808378	969.8937166	1219.80231	1261.613933	1249.901471	1902.79741	1905.441219	1277.946889	1085.51271
3.64_386.9433m/z	386.9433292	3.640283333	neg													4803.469027	5203.061115	4954.476628	5605.761071	6030.054939	5850.34507	6628.934068	5406.337625	5319.898684	4907.097653	5605.8908	4328.515934	4955.539708	5656.647761	6174.231018	6596.110608	6362.064776	5059.593167	4840.472567
3.64_393.9627m/z	393.9627443	3.640283333	neg													4613.07118	3409.2869	3742.882152	4520.620653	4324.677467	4824.06983	3812.969583	3299.204961	4043.919257	4801.460392	4416.433622	3241.257117	4044.257944	4192.998873	4142.324107	5658.542521	4220.114438	4525.780598	4005.993189
3.64_401.9947m/z	401.9947112	3.640283333	neg													51662.33739	49048.30183	51366.00798	52855.49987	49775.36071	54279.92242	54330.71906	46731.16402	50431.68893	53900.08513	56820.54081	41734.87844	49544.33723	48761.7654	56730.46417	57077.80277	55538.1587	52664.73907	44047.51372
3.64_408.9564m/z	408.956445	3.640283333	neg													2524.419997	2904.472769	2745.507552	2414.06296	2495.375435	2679.236291	3127.766217	2292.421557	2511.061513	2660.050788	2620.334397	2127.027576	2905.642856	1875.598731	3542.656549	3046.999424	3273.798036	2867.115642	2176.439023
3.64_411.9503m/z	411.9502902	3.640283333	neg													19245.36803	16779.08462	17819.61444	18204.09004	17040.69396	18904.51973	18118.21056	16533.17158	16330.2443	17840.85918	19544.28077	15562.53082	17573.02874	17699.87523	19797.39394	20442.98518	18747.62	17477.73481	15025.89295
3.64_414.9546n	413.9473373	3.640283333	neg													12002.95647	10375.33988	11216.11567	11503.27389	10527.41547	10981.90191	12120.97178	10033.73706	10751.32699	11774.52705	12216.04224	9318.012533	10481.30248	10742.25279	12139.10746	12469.45899	12269.48672	11483.01897	9474.493205
3.64_419.0546m/z	419.0545649	3.640283333	neg													39370.05263	40519.53421	42477.08841	42145.60466	49303.73497	37458.70172	38922.62315	40732.1253	33120.89264	45979.93526	43071.0995	29807.59307	43479.11039	42903.9176	49121.45591	46614.08622	44537.73736	38923.62551	39526.77513
3.64_428.9405m/z	428.9405271	3.640283333	neg													1265.907796	1111.117796	1151.892853	788.6078274	917.0612172	1342.046716	1024.135549	1103.645604	1173.878914	1067.051232	1237.020164	1072.55916	1073.832652	1228.11615	1526.265309	1416.773652	1429.565594	1148.885828	833.6883985
3.64_442.9910m/z	442.9909623	3.640166667	pos													1078.952374	1298.196879	1674.963089	1119.2933	906.1686541	1107.639419	961.1325384	2051.541401	2128.299753	1525.532491	466.5215518	2913.746955	148.0826179	504.3291414	910.6737775	986.9448665	863.4840746	2524.860025	1789.149155
3.64_447.9885m/z	447.9885136	3.640166667	pos													8275.056529	9768.432216	10221.98992	6607.192434	12750.93218	6822.210585	15070.07253	8892.884162	8981.433588	10647.73198	11414.82918	5286.597649	7846.077928	8579.020732	5437.893259	4835.400505	7303.058151	3463.305611	5340.212677
3.64_448.2393m/z	448.2392629	3.640166667	pos													8713.570766	9465.948631	7681.671936	2985.447997	9248.543264	6494.32774	16159.03684	7766.636492	6731.491364	14472.89431	14800.52057	4615.041334	8289.690889	10601.38767	5865.727043	2817.953157	8122.959678	1608.091507	6006.810938
3.64_448.7424m/z	448.7424468	3.640166667	pos													2952.760254	2321.389466	2196.169128	1673.693723	4207.510599	2589.903935	5515.760958	1418.221512	1541.376933	3777.308237	1184.743756	885.4327751	4154.860826	4912.905525	2769.051546	1530.654518	3746.403941	1749.221192	5783.730181
3.64_454.9304m/z	454.9304129	3.640283333	neg													3488.766317	3264.963365	3122.419052	3437.620099	4280.582306	3937.850075	4436.653655	3903.627487	3527.223449	3357.760063	4356.43828	3909.048905	3437.424765	3885.788402	4766.042377	4182.019936	4266.216712	3688.17555	3274.075224
3.64_469.9821m/z	469.9820898	3.640283333	neg													25897.00539	25449.16329	27274.73482	27962.53836	26611.66355	28272.62816	27538.51028	23367.81523	27242.95701	29084.64752	30955.27206	21616.47454	26292.38873	24988.90426	29765.02436	30158.6133	29216.04222	28880.37724	23225.21205
3.64_471.9788m/z	471.9788448	3.640283333	neg													8356.87863	7686.843348	8357.376438	8551.611093	7405.773913	9268.103948	8639.26277	7995.996445	8004.961452	9321.003918	9740.699694	6137.823369	8432.343963	8194.651788	9214.973155	8463.841006	8831.791632	8210.121921	6443.927164
3.64_477.0131m/z	477.0130795	3.640283333	neg													2239.015554	1593.524842	1681.856781	1872.979851	2380.009862	1770.455482	2030.818527	2081.597029	1998.326785	2315.368573	1863.726792	1423.561821	1926.743826	2258.708928	1925.304811	1917.792616	1904.526366	1865.135878	1463.854912
3.64_482.9422n	481.9349605	3.640283333	neg													7275.275863	6802.976975	7301.490053	9395.440759	6129.317346	8027.699929	7297.780945	6333.795803	6362.97943	7279.740314	8513.406972	6760.696397	6974.302399	7113.783171	8303.825207	8175.839849	7169.497782	7082.307023	5450.488399
3.64_487.0420m/z	487.0419672	3.640283333	neg													32609.94819	29763.67214	31440.49231	32448.70605	38348.78703	31317.98168	30422.33272	30909.72553	27591.32271	35141.67525	32499.27059	23400.52588	31932.917	32401.03479	38924.91894	36207.30836	35417.39486	29899.22003	31529.96539
3.64_488.9672m/z	488.9671967	3.640283333	neg													3008.486428	1730.402267	2185.548698	2329.605043	2402.248124	2790.177833	2746.084998	2226.887603	2107.608468	2682.019946	2623.94732	1712.909738	2536.119551	2329.426874	3202.958004	2926.834822	2578.166803	2784.779789	2235.772302
3.64_489.0388m/z	489.0387775	3.640283333	neg													22990.3493	22358.64147	25317.34752	24265.81993	27278.07234	23882.42844	22631.43534	21717.91665	18976.05402	23769.87301	24500.65597	17947.40096	22235.43391	23430.77471	26301.42965	26857.23497	26410.18158	22084.63701	21473.34656
3.64_496.9975m/z	496.997549	3.640283333	neg													11469.2907	7713.83209	9704.085922	10045.55657	11463.28641	9663.464365	10032.95279	8038.37832	9174.868997	9713.49951	9980.255701	7089.769215	9512.712544	10472.06598	11435.43949	11956.76101	11303.95931	8663.357605	8932.135173
3.64_504.0322m/z	504.0321914	3.640283333	neg													906.1334887	1038.281859	948.6585846	944.8107153	1428.974082	833.8682598	1252.270148	920.3623141	1228.763637	998.1123715	748.0150736	796.2955084	1015.254328	1028.696716	1749.747568	1255.391202	993.6813562	814.8790667	1356.003562
3.64_513.0414m/z	513.0413751	3.640283333	neg													4370.57297	2859.981887	3521.890648	2986.715878	2413.638594	3054.039502	3468.781586	2596.308563	3283.555781	3119.158426	2695.126608	2013.122012	2462.35503	3414.150383	3796.830808	3311.096944	2765.477987	2664.3602	2732.643546
3.64_515.0381m/z	515.038125	3.640283333	neg													1930.931441	1515.287863	1677.06546	988.5674331	2017.717479	2051.979136	2690.953504	2211.439211	2095.369445	2544.164793	1750.406496	1194.539986	2028.441319	2142.981569	2443.982785	2129.835501	2114.597934	1621.136036	1926.686214
3.64_524.9349m/z	524.9349478	3.640283333	neg													1903.51195	2108.188631	2389.409013	2819.467769	1991.444988	2432.146233	2943.59649	1861.860103	1997.532124	2395.457185	2366.363461	2202.575219	2010.12459	2540.632663	2327.160645	2645.135825	2649.663102	2182.963492	1984.421176
3.64_537.9697m/z	537.96972	3.640283333	neg													14052.03328	14468.99145	12793.89065	15699.65459	12897.06798	15396.31188	14484.21082	13429.37417	13397.70504	15365.52927	16153.70089	10959.1313	13076.33447	12958.21739	16178.23079	16205.7712	15024.55148	14319.42256	12149.1625
3.64_539.9658m/z	539.9658074	3.640283333	neg													3692.782002	3698.296026	3123.656267	4670.36011	2873.367397	4284.666058	3674.973966	2783.560969	3615.218109	3626.834637	4819.699346	2798.0805	3265.523563	3807.027648	4422.832424	4273.31767	4309.842845	4095.622448	2952.334521
3.64_541.9948m/z	541.9948311	3.640283333	neg													8098.942074	6019.763686	7546.732314	5799.026573	7127.439774	7198.80572	6910.825467	6078.118599	6301.636362	6943.614335	6370.079828	5718.254924	6472.589011	7567.699396	7778.77275	7042.687259	7117.983814	5058.491738	6018.11196
3.64_543.9921m/z	543.9920726	3.640283333	neg													7173.321035	6254.426894	7188.2043	6114.723512	6251.782544	6058.230085	6381.701191	6079.295658	6250.39342	6444.814758	5537.7953	4639.494955	5828.075266	7075.419043	7992.917565	7164.034427	6329.336722	5136.774892	6006.277468
3.64_547.9252m/z	547.9252252	3.640283333	neg													9844.871224	9645.056902	9192.032242	10857.83373	8916.170869	10002.27797	9928.362609	8291.911755	9117.449184	9514.304631	10391.07338	8019.099341	9827.970379	8712.044098	10479.50266	10786.71553	10380.28022	9982.138325	8508.130648
3.64_555.0292m/z	555.029193	3.640283333	neg													19697.0001	16625.71559	19365.13041	19083.98377	19657.82528	18479.08673	18728.18004	17001.71001	16298.23628	18411.76327	19547.67534	14026.90701	19684.17526	19826.80117	21823.65576	21463.69473	19533.21761	16496.55898	16746.98448
3.64_564.9847m/z	564.9846726	3.640283333	neg													7126.034169	5202.793202	6206.419214	6169.983489	6579.808006	6155.078805	5819.62869	6092.810183	4699.07129	5341.089747	6320.055509	4679.040534	5870.929153	6705.759117	7745.435777	6905.61109	6141.387889	5441.308733	4933.054333
3.64_566.9820m/z	566.9820142	3.640283333	neg													5854.853158	4232.055982	4642.658637	3994.32994	4033.230447	5342.771821	4936.297718	4715.730698	4051.916079	4597.972235	4612.3923	3523.202614	4604.9029	5838.676734	5444.881919	5169.471292	5100.46567	3627.258643	4774.654788
3.64_572.0194m/z	572.0194173	3.640283333	neg													3080.240317	2437.827277	2890.712968	2610.217174	2698.594652	2005.494496	2821.64245	2010.217985	2126.242258	2662.977853	2549.120238	1371.706103	2313.093759	2703.42283	3150.861544	3053.173486	3281.529528	2250.913582	2250.335399
3.64_596.9820m/z	596.9819757	3.640166667	pos													3369.119002	4995.318913	4303.579058	5505.639075	5622.173951	4280.733792	7976.784618	6735.07038	4857.060545	9422.500802	5494.771445	2096.261178	4611.050341	5779.738572	4582.642615	3496.349666	6739.999487	0.000297236	2078.303992
3.64_597.3163m/z	597.3163372	3.640166667	pos													4172.886306	6137.679053	4241.585744	1917.842545	4935.125961	2665.780045	13017.98061	6824.386259	4997.783101	8907.753388	5997.544497	6166.494844	5517.279267	3781.207571	3824.794332	4854.610731	2049.121842	456.3196459	2419.715909
3.64_605.9573m/z	605.9572983	3.640283333	neg													7554.332738	10579.35792	8760.664602	10890.16894	9092.431246	10179.47767	10518.70162	7568.997034	9145.814995	10872.90498	11452.2337	8066.909853	9053.751464	8356.900513	10230.50781	12433.63083	11325.36714	10418.20718	7191.640401
3.64_615.9124m/z	615.9124356	3.640283333	neg													7183.953143	6625.554381	6291.985677	7872.435221	6163.542318	8457.889304	6382.881788	4774.179973	6024.146654	7105.524258	8598.303086	6230.342915	6438.453673	6916.90706	7930.451738	7745.053438	6753.394762	7875.866464	4660.839158
3.64_625.0138m/z	625.0137579	3.640283333	neg													8242.838494	7024.095725	7584.083835	8088.247789	6574.165673	8456.028238	7948.389191	6643.490101	6479.338592	7451.025269	6791.86141	4635.551235	7018.570736	7018.178159	9370.089708	8349.622255	8110.040595	5904.201828	6326.48804
3.64_632.9722m/z	632.9722117	3.640283333	neg													4873.102867	3542.702231	4697.753067	4425.191389	5145.995966	4579.35055	4008.835285	4688.271505	3981.337167	5045.413854	5039.55503	3724.431455	5091.188378	5264.264534	5888.579649	6030.715064	5228.804253	3572.428073	3776.867296
3.64_640.0763m/z	640.07629	3.640283333	neg													2954.039737	2943.648169	3704.225886	3044.553076	4799.200264	2814.242836	3490.199805	3011.156021	2410.720376	3448.282527	3346.096514	2716.039273	3990.209889	3744.278712	4792.018373	3753.735025	2596.26559	3312.21396	2884.181154
3.64_652.0289m/z	652.0289052	3.640283333	neg													3779.920952	2750.278642	2838.946738	4145.572366	4539.238199	3985.42457	3935.453284	3530.540073	3734.865651	3685.591274	2656.310108	2248.083647	3848.879205	3261.401616	4510.331113	3975.75376	3837.445545	3397.641089	4658.936929
3.64_654.5898m/z	654.5897795	3.640166667	pos													4807.879195	6258.538754	3628.857157	5326.284651	6498.077264	5377.613008	13122.26633	4235.485525	10423.48005	3947.843316	4838.871904	2618.668183	2313.488026	7959.669185	5547.74694	2487.815015	5519.761039	3193.839127	5895.170867
3.64_666.0762m/z	666.0762149	3.640283333	neg													5814.305003	3654.147096	5813.305514	4535.987695	4557.309801	4482.732885	5480.889336	5335.719049	4606.096004	5952.68849	3417.07573	3074.927722	3656.619322	4906.828073	6171.530299	5119.803699	5060.190253	3686.134225	4446.513755
3.64_668.0734m/z	668.0734297	3.640283333	neg													7047.763003	4093.846223	5728.584076	4393.630427	6895.513201	5727.996469	6453.464689	4830.934302	5965.173093	5801.946227	4397.444056	3762.740536	4193.657403	6692.374155	7480.330346	5985.984241	6620.065048	5630.760182	4778.332219
3.64_691.0043m/z	691.0043465	3.640283333	neg													7102.668723	6165.275211	6267.313393	5668.68703	5101.958109	6235.182174	6622.41371	6022.87674	5115.081651	6202.986413	5305.922654	3819.780047	4972.117655	6360.814492	6864.200491	7205.391187	6285.476996	5420.10751	4603.066478
3.64_693.0014m/z	693.0013741	3.640283333	neg													4395.2079	3540.107216	3463.261732	3002.675431	3398.22421	2954.446242	3726.718662	2916.188548	4073.425086	3241.401175	3325.187184	2442.996544	2737.954181	3616.784462	4346.689544	3808.39949	2993.701909	2630.155558	3133.635872
3.64_708.0638m/z	708.0637626	3.640283333	neg													4791.303058	4388.9673	5776.423126	4724.366218	6673.55413	4763.197278	5672.811934	4327.693761	4159.409404	4627.373876	4810.590407	3045.341318	5359.292843	5095.90265	6949.396316	5555.268862	4950.490921	4446.906883	3932.643342
3.64_708.3576m/z	708.3575792	3.640166667	pos													19695.65488	30469.70763	21131.87972	20482.81484	26646.74648	13018.67901	22031.00927	38949.90794	38883.8656	13632.02425	19526.63453	33464.56633	37526.39667	21030.64031	13698.48476	11187.52411	20463.71467	11783.21814	12008.72059
3.64_710.0610m/z	710.0609708	3.640283333	neg													4181.356632	3680.245557	4201.217272	4151.833379	5372.982593	3482.470085	3509.275981	3763.307452	2549.37706	4209.175502	4420.979343	2587.414577	3550.719758	3885.633887	4653.885014	4239.672462	4088.167777	3509.570091	3309.1735
3.64_712.0585m/z	712.0585081	3.640283333	neg													1195.133296	1197.66743	909.9968719	1264.759249	1374.589655	914.478486	536.0747975	1157.880708	787.566872	1453.860603	1399.415475	544.5182265	1402.182525	1062.432934	786.1581204	884.8122253	866.6816472	1399.194697	904.4845481
3.64_720.0167m/z	720.0166817	3.640283333	neg													1161.745712	1061.252861	1746.590836	1868.563302	2325.081711	1576.781048	637.1475874	1387.869159	679.0407332	1914.11659	1481.543607	1647.581565	1906.930193	1420.405584	2411.861313	1974.149432	704.1102195	2343.082316	1288.194831
3.64_821.1080m/z	821.1079839	3.640283333	neg													3289.935645	3452.414066	4840.769596	5168.363581	4418.069508	4142.410693	3897.216396	4377.003182	3233.527675	4073.864639	3503.791177	2523.344958	4439.758793	6086.353095	6052.494103	5104.102829	4508.876765	3399.585511	4163.716633
3.66_117.0573m/z	117.0573497	3.65905	pos													1279.238361	1778.228003	1240.767541	1730.78284	1550.952275	1215.068961	1504.367352	1438.33033	1073.195179	1447.121283	1316.456726	1439.269945	1564.89876	1545.161776	1225.709214	1655.962409	1606.94786	1388.775805	1460.820017
3.66_119.0731m/z	119.0730683	3.65905	pos													6243.849498	7353.634831	6294.060385	7823.107172	6960.665826	6228.238237	5542.323639	6533.427068	5728.794695	6889.873908	6692.753387	6397.657542	6753.672527	6705.120559	7217.947831	7739.932975	6890.403867	6625.997711	6331.734405
3.66_136.0079n	154.0416635	3.65905	pos													273464.2772	298269.2024	289617.3368	330239.4737	295258.9704	273723.842	244905.5029	276651.1726	252438.751	296829.3909	279842.8695	269242.0573	300745.1117	298820.8384	323573.1791	333704.3077	308918.5788	277889.8852	281830.9074
3.66_156.0386m/z	156.0386295	3.65905	pos													93714.61383	99766.80874	96295.09364	109861.0969	100871.1953	92994.1325	83583.76519	95302.43973	86450.66895	102160.5903	95342.4869	91036.2999	101589.3832	103565.2987	110434.3793	115589.6461	105337.2842	93004.47132	96279.27261
3.66_163.0621n	162.0547809	3.65935	neg													2002.554453	1774.458219	1829.447866	1785.183634	1888.225509	1765.480942	1475.241359	2422.241079	3044.946553	1982.032797	1698.479715	2307.359805	1549.041712	1849.192195	2063.149673	2088.560207	1826.409687	1593.47756	1784.314133
3.66_167.0322m/z	167.032227	3.65935	neg													465.0175825	353.7170875	471.5710754	443.8036146	416.63276	333.5371461	429.2398683	531.2313819	465.8030346	404.4559496	430.7957003	595.5981262	425.7117041	361.1824929	515.1986272	369.3869064	521.0239914	400.9751872	443.4553815
3.66_189.0757m/z	189.0757137	3.65935	neg													1142.984531	1140.013875	1158.404516	572.8184617	1270.238047	921.5283444	709.4791837	5250.814268	1976.477314	874.7127273	508.8062862	700.0660378	721.2488137	742.0379367	839.1334604	629.8002488	774.9260746	709.6378011	797.0643592
3.66_201.9513m/z	201.9513054	3.65905	pos													1222.136916	874.5118078	1196.493896	1140.15289	626.0437544	845.4748886	805.97	798.9513664	614.43632	481.8779165	911.9234535	749.4025609	717.1122448	1087.707789	1464.942465	927.8031042	592.5828059	514.5052547	857.5983048
3.66_202.0438m/z	202.0437862	3.65905	pos													1119509.244	1210364.296	1174552.335	1297820.588	1192863.844	1112027.549	1005867.948	1125954.378	1026336.031	1177863.91	1157092.708	1125526.708	1225567.846	1213426.98	1335250.394	1377278.052	1277344.709	1117780.418	1159407.331
3.66_211.0214m/z	211.0214008	3.65935	neg													331.8575767	250.8752628	383.1253552	557.9266605	328.4899611	254.8589489	542.8231086	657.8780235	507.9766512	281.46662	255.5890898	468.9086464	279.1742873	319.6850813	343.6023236	272.4367443	350.5524486	301.2202931	253.9246283
3.66_233.0037m/z	233.0037117	3.65935	neg													341.3686796	337.4897398	469.624832	473.2494489	322.6385927	236.7424219	390.9849077	528.4546401	525.6531705	170.4763086	260.7884012	538.2906855	280.7927409	323.5644092	340.7069439	244.320388	422.9988703	309.6634749	324.5993454
3.66_244.0108m/z	244.0107757	3.65905	pos													18064.46527	18777.84671	19133.68227	20069.63862	18793.43577	16828.5338	17713.25896	17020.79733	15428.87281	19422.36869	18257.65672	19673.37061	19761.99857	18937.88578	22547.90617	20725.70548	19920.37305	17938.40007	18590.8978
3.66_281.9936m/z	281.9936299	3.65935	neg													1163.423894	1221.942869	1280.917662	298.91506	347.3728589	786.4461318	473.6135061	345.0710076	1089.786653	1469.114041	1181.308626	342.0425325	953.8550664	447.1590881	706.6238461	909.6494636	833.1900974	957.783389	319.9802223
3.66_299.9717m/z	299.9716899	3.65905	pos													6526.162151	8479.676637	9064.458268	7808.270308	8592.179491	7059.03455	7217.547664	6816.146928	7541.45671	7280.5777	7857.125392	8152.698227	7518.676196	8080.523343	7851.984555	8889.906392	8808.720829	7068.330048	7774.810834
3.66_310.0101m/z	310.010055	3.65935	neg													937.8755591	972.8621942	1037.446582	735.6805946	874.9910012	1001.561555	1214.65154	786.3191457	941.5351641	1273.122165	1143.475999	665.1892343	872.7765463	1021.09148	961.2959158	1094.111418	1353.345895	993.2980999	966.7306358
3.66_319.9974m/z	319.9973819	3.65935	neg													1583.835053	2001.775949	1558.455897	118.0665023	50.68736962	53.54552317	69.20045997	10058.65525	11879.35809	26.40459576	45.9317926	6055.595227	107.6571316	76.77335915	72.31935681	58.48379431	82.22005964	17.2205254	48.64752746
3.66_322.0119m/z	322.0118842	3.65905	pos													15511.99623	16995.63618	15481.00489	256.5840434	148.4916254	0.000297236	220.2101461	87890.64807	113622.761	208.62168	184.6343578	64479.26818	349.6335588	91.27806907	0.000297236	1179.266758	95.65769275	0.000297236	94.40284172
3.66_335.9312m/z	335.9312248	3.65935	neg													2266.498772	2272.279646	1996.460927	1716.649743	1439.900668	2214.418486	2319.961495	1359.834454	1819.767033	2178.582942	2549.189431	1616.070443	2226.876499	2038.671655	2377.566578	2448.97077	2708.761591	1955.076962	2015.67881
3.66_337.0090n	336.0044761	3.65935	neg													31498.45595	30472.09453	31644.24766	32611.74436	31203.78346	31456.71541	31543.96847	29282.40122	29856.76376	33690.11697	33916.40502	25765.79534	30338.70764	31010.38869	34086.37406	34972.73132	33365.62195	30415.3683	27669.21439
3.66_340.9685m/z	340.9685194	3.65935	neg													476.4297198	679.1664476	840.0164723	254.9977259	699.7083784	642.2340832	598.6960421	511.6514163	577.6514166	611.0102987	853.467885	622.8165479	642.2315042	610.9877718	740.0090951	613.2561783	763.9618622	545.511398	433.3419891
3.66_360.9534m/z	360.9534468	3.65935	neg													1791.501675	1250.48651	1392.775152	1018.92746	1047.98466	1493.192421	1217.935444	1240.867977	1255.202601	1495.474765	1520.921798	1074.770667	1489.966404	1357.741905	1532.897839	1485.718134	1584.270141	1323.183083	915.3589958
3.66_377.9973m/z	377.9972665	3.65935	neg													891.7160456	724.8830603	742.5887604	654.6332992	749.2697886	924.1663314	858.8583503	577.8885564	620.2288666	666.6920836	711.5041952	667.550886	554.8156023	784.7116575	845.6174685	688.2047389	646.3841562	850.2875638	540.7890541
3.66_385.9730n	384.9657311	3.65935	neg													5036.064697	4302.024972	4827.050229	4086.706858	3544.166747	4574.519699	4194.284945	3587.560539	3568.07427	4325.980634	4898.979125	3273.272205	3712.005829	4098.25211	5214.306924	4915.479478	4277.5572	4670.990923	3116.003695
3.66_388.9604m/z	388.9604497	3.65935	neg													3990.308258	3789.021259	4080.887679	4801.857005	4664.936346	4721.375115	4183.23948	3509.100981	3409.534117	5003.662557	5033.10228	3091.594844	4402.572655	3576.277248	5422.410734	4536.893083	5104.966657	4599.071804	3784.020448
3.66_418.9850m/z	418.9850138	3.65935	neg													9005.731717	9179.369431	8761.769765	8640.275624	7679.307126	8982.920884	9195.766698	6997.676627	8007.768196	9168.846064	8878.545404	6906.84212	8554.906411	7873.912727	9782.03592	9648.097703	9001.955104	9127.293679	6541.33246
3.66_424.1361m/z	424.1361251	3.65935	neg													1561.170452	1395.934987	1697.14602	1531.51968	2056.521745	1619.24936	1848.73312	2987.833152	2151.999078	1403.188442	1768.152753	2183.664176	719.601865	590.8352857	1127.191147	883.3911485	1520.743353	1461.058544	1126.47388
3.66_456.9477m/z	456.94771	3.65935	neg													4645.312107	3968.704975	3617.104826	4052.599449	3762.035495	4735.657403	3961.460621	3335.77751	2912.443616	4119.304099	4152.356892	3060.769413	3919.795255	4128.65358	4792.609461	4310.466871	3926.981695	4013.528801	3500.982257
3.66_461.9505m/z	461.9504525	3.65935	neg													2034.268727	2631.648293	2233.682964	2451.617364	2287.259925	2456.814562	2382.381822	1623.907215	2227.008923	2076.978339	2569.24342	2101.687231	1853.414788	2155.446352	2862.212123	2757.763771	2658.553762	2607.997051	2032.776775
3.66_475.0048m/z	475.0048268	3.65905	pos													5027.451632	3069.098183	4164.266919	5819.178904	1629.045584	1369.175338	3327.655949	6399.056407	4394.083736	1640.25306	2805.477455	6977.028145	2531.257146	4883.103876	2210.966073	3448.823979	5974.704164	4188.6224	4238.673786
3.66_475.2556m/z	475.25561	3.65905	pos													5408.312462	9258.518369	7108.39978	6635.760816	8060.594519	5007.946497	6587.369415	4759.540146	7184.537561	7557.815075	5441.571131	6888.139735	7356.450047	9684.696391	10148.40318	6808.278856	6553.658511	5498.648276	9347.971264
3.66_486.9719m/z	486.9719018	3.65935	neg													5663.969068	4661.074534	4796.185806	5590.842715	4913.46397	5418.192116	5470.592175	5272.685183	5435.185865	5833.734184	5760.761744	4522.660631	5677.033631	5194.35875	6008.120192	5778.45092	6130.640803	5214.883647	4087.759065
3.66_529.0241m/z	529.0241397	3.65905	pos													19866.55592	17781.443	19375.53611	16398.07757	18234.45274	14802.81468	16589.74444	26096.92746	28333.9134	17890.07434	16200.94173	37751.3911	17774.62547	12863.29605	15351.84754	14512.20767	18018.50061	5301.973732	11000.63849
3.66_529.2752m/z	529.2752373	3.65905	pos													16780.33996	20994.909	26413.4893	19052.01398	27164.78514	19049.51853	17927.72006	30044.57965	29145.95024	19724.45495	14135.39251	36664.58661	21097.71356	12148.39828	16821.00534	18219.96393	12524.39877	9755.15635	8520.490382
3.66_529.5257m/z	529.5256853	3.65905	pos													9502.516311	9578.323823	10639.61354	11549.62221	12932.08376	9124.209426	9799.814956	14266.82499	17472.47603	9739.507748	7731.457839	18279.79496	13087.38625	10903.91972	5675.15606	8243.7599	13456.86896	8062.041171	4788.480057
3.66_546.9975m/z	546.9974723	3.65935	neg													3011.206875	2453.901883	3372.395683	3070.552817	3489.264449	2602.088567	3286.207047	2646.282376	2228.788342	2956.80926	3744.818123	1539.714474	2868.693284	2699.488125	3092.041236	3188.008307	3608.796683	2369.164323	2332.86242
3.66_549.9228m/z	549.9227683	3.65935	neg													3551.991311	3355.73879	3071.496336	4478.380403	3487.714456	4350.419686	3501.994193	3118.252146	3569.814772	3958.002884	4122.501212	2988.495779	4069.410515	3335.834236	3862.114279	4675.858981	4104.050125	3414.979863	3094.954008
3.66_554.9593m/z	554.9593307	3.65935	neg													3277.587398	3137.201889	2631.81961	1785.921868	2165.321963	3387.065549	2940.873297	1731.032755	2127.639779	2562.711504	3270.302699	1513.247372	2277.102122	1836.015891	2844.514455	3192.691594	3105.986051	3168.982627	2051.63123
3.66_612.9876m/z	612.9875576	3.65935	neg													1518.931709	1281.230265	1929.758771	1448.626056	1234.854868	1361.407535	1667.843488	1265.340335	1332.17928	1316.041057	1543.875968	1347.01885	1832.372145	2068.814919	2907.579885	1797.016189	1653.749078	1142.27273	1128.479135
3.66_642.0732m/z	642.0731542	3.65935	neg													3000.536323	3271.066051	3025.655056	2474.515456	3612.253877	2140.838615	2260.841148	2082.044166	1752.225192	2473.279811	2684.210437	1575.580869	3052.42934	2957.362337	3341.762068	2809.516852	3270.370431	2638.291173	2644.454748
3.66_673.9445m/z	673.9445288	3.65935	neg													4985.535621	5644.325208	4184.252188	6423.264561	6099.117526	5598.971136	4759.61378	4131.189284	4759.159648	6648.278961	7337.000686	4635.943297	5553.359986	5080.35293	5997.934066	7258.45396	6658.88846	5318.71123	4888.800807
3.66_683.8998m/z	683.8998372	3.65935	neg													3946.046049	4477.091243	3518.345141	3712.121385	3055.268471	4240.346639	4192.025346	1503.232372	3527.030846	4252.879028	4549.388738	3315.768417	4487.331865	3079.074244	3380.03004	3746.118425	3041.087711	3605.235349	2697.013976
3.66_695.0292m/z	695.0292072	3.65935	neg													9359.971042	6111.611809	8034.636331	6212.3497	6747.243895	7202.941183	8228.531737	6602.866371	6482.72772	7127.044083	6715.19484	3739.756025	7380.946866	8959.303504	9744.510369	7908.834493	7580.62911	5478.487545	5878.681817
3.66_700.9595m/z	700.95953	3.65935	neg													6033.136659	4945.515498	6496.507543	4305.851427	5152.889299	5829.79653	4682.446433	5058.834125	4559.002554	5411.748783	5421.95729	3911.280899	5794.098615	5661.920282	7403.164591	6884.951891	5756.825321	3893.018449	4420.897524
3.66_705.0292m/z	705.0291746	3.65905	pos													9169.789155	15399.6585	10972.71289	14976.51122	17098.01934	11275.4586	11752.03656	20068.09343	15096.48061	8502.093124	13960.1369	22445.46186	18069.9293	11091.44998	7165.878394	10674.81244	5857.660759	8515.522534	6657.982247
3.66_705.3636m/z	705.3636217	3.65905	pos													7415.91804	11926.29571	11059.07205	12002.31192	11861.64031	7020.214328	8958.329515	21445.58651	17761.10127	15555.65688	5481.856402	23604.00307	14995.25756	9225.097874	9535.402009	4959.909564	10247.07589	3358.486923	3853.883118
3.66_741.9319m/z	741.9319447	3.65935	neg													2548.809897	2468.541892	2325.326367	1520.554953	929.1235544	2796.060311	2488.353945	1824.290117	2750.112589	3055.46961	4062.374624	1293.046568	2334.673343	2214.398954	2411.437512	3215.502153	2218.752048	3069.917551	1674.049486
3.66_776.0517m/z	776.0516682	3.65935	neg													2872.529101	3241.814644	3105.08002	3174.023461	4283.787689	2999.845861	3317.620765	2249.822604	2506.473888	2920.928061	3610.429598	1657.998781	3398.556891	3885.310728	4450.831535	3601.999828	3367.878238	3482.070223	3083.188954
3.66_778.0484m/z	778.048358	3.65935	neg													2958.412988	2416.0959	3104.21051	1951.234387	2551.329192	2898.674649	2574.224442	2499.098089	2147.849456	2469.878603	2784.347256	1686.549765	2825.252341	3168.11678	3776.666489	3604.15342	2646.871514	2407.997655	2543.73676
3.66_786.0070m/z	786.0070227	3.65935	neg													1671.401784	1062.778398	1284.243958	1134.604611	1622.996528	1081.294975	1271.961472	848.8063308	562.9118364	1224.055739	1988.574705	568.0950025	1418.823264	1626.352226	1842.084992	1123.438385	1461.399866	738.2587044	1346.154609
3.66_788.0024m/z	788.0024005	3.65935	neg													1762.531284	1536.825354	1406.940979	0.000297236	0.000297236	1410.989365	0.000297236	0.000297236	655.0852562	1745.577775	1758.984078	0.000297236	1152.956891	348.0938042	1017.159076	1500.698073	966.8900613	1012.911409	0.000297236
3.66_819.1110m/z	819.1109626	3.65935	neg													2554.990637	2470.053465	1879.632202	2310.942899	3175.402468	2860.017744	1725.635934	1376.786341	2412.448442	1802.802474	2486.107826	1673.010116	2993.067796	2165.23575	2943.312774	2960.076663	2810.663169	1025.846467	1666.741053
3.66_848.0648m/z	848.0648284	3.65935	neg													2559.171721	4214.458998	2762.385873	3711.20872	4810.103372	2686.089907	2408.096022	3181.186646	2316.71174	3946.924518	4955.070265	2931.971171	4010.966275	3713.899329	6081.453435	4577.901009	4530.648195	3877.662763	3958.885902
3.66_850.0611m/z	850.0611491	3.65935	neg													7181.120682	7991.65815	5533.606583	9033.284857	10883.52812	5340.918386	4769.357452	6396.109757	5697.355703	7536.490763	6976.366374	4510.852146	9452.467183	7380.835239	9152.801115	7907.790342	9243.434545	5796.936034	6469.56881
3.68_276.0546m/z	276.0545759	3.680483333	neg													548.384032	606.2590888	595.5956636	568.9846309	875.773972	243.8481967	529.2248758	541.3757742	843.8894879	274.1765713	306.7124772	428.6340454	770.5242709	786.5398133	1158.49598	817.4680807	859.474683	964.4609581	759.1341354
3.68_317.0250m/z	317.0249612	3.680483333	neg													427.9896228	484.9564082	418.2229195	216.2286787	439.2362749	309.5228369	687.1463221	146.5710178	975.4328707	986.8968035	349.7262416	313.7571312	663.2180855	380.2663905	370.7778924	280.1363646	448.1588535	155.2850869	328.7838144
3.68_324.1907m/z	324.1906949	3.678166667	pos													585.6167028	651.7125442	901.7156422	491.6543104	873.5879778	904.0716585	1679.619608	280.0351782	650.494123	1305.55997	775.3386527	497.0816571	843.6112228	527.3554336	781.8266833	813.7258965	842.2150885	492.7843496	1034.739012
3.68_387.9850m/z	387.9850373	3.680483333	neg													829.4763033	886.9404998	824.249057	0.000297236	0.000297236	126.7144354	170.7820235	5065.975239	7342.71122	59.10474564	0.000297236	3222.953745	0.000297236	0.000297236	65.3846295	0.000297236	0.000594473	5.658455838	0.000297236
3.68_429.1988m/z	429.1988338	3.680483333	neg													2437.182568	2507.337203	2558.767403	3674.132847	1877.864613	1384.276651	3575.877657	800.2943246	1755.654796	1595.729136	3898.353793	2501.377791	3617.531262	2978.80938	3242.841606	3258.942393	3676.113678	4050.692112	3503.941153
3.68_507.2672m/z	507.2671881	3.678166667	pos													3163.445641	1768.366208	2966.67965	4155.142584	2411.948572	2808.969925	2974.201484	1479.916895	3038.930144	1582.624242	2344.312539	4389.825193	3677.421952	4236.41934	4879.253657	4084.984495	5101.238357	2987.031652	4790.608805
3.68_507.5173m/z	507.5172778	3.678166667	pos													2158.682132	2680.811134	3602.962403	2827.560092	1612.940433	1358.964575	4001.625141	1138.080069	1849.387914	1339.261432	983.7423671	4339.41198	3810.60744	2827.794393	3096.47793	2742.459718	3178.711676	2756.154828	3426.310748
3.68_507.7677m/z	507.7677222	3.678166667	pos													2090.13243	1597.056917	1199.287338	1053.520033	0.000297236	1430.445047	1965.657651	183.5218747	2154.616372	1059.058258	834.3923071	1324.094553	2764.549552	1250.46111	2494.587244	1239.077445	2344.516011	2461.904214	2785.649262
3.68_532.5286m/z	532.5285693	3.678166667	pos													2562.867131	3165.256624	2938.488325	1968.995787	1363.07794	1922.692827	3680.137206	1887.527463	4426.929049	2115.156492	2426.330675	4195.31078	2306.938924	1671.668512	3999.622405	4751.119995	5053.213531	4051.9864	3121.645099
3.68_570.9388m/z	570.9388059	3.678166667	pos													4525.011749	3369.028205	4210.127907	4366.322793	5552.176008	5510.57331	4969.281823	738.2503241	1069.968878	8859.369542	4848.619478	1428.759226	7149.153813	7104.131085	7066.235545	4378.42362	5988.885901	5674.089058	6337.183925
3.68_571.2737m/z	571.2737337	3.678166667	pos													2989.804467	3793.178709	3429.923472	2384.191187	3729.821984	4298.881056	5537.03317	1274.395879	971.4971667	7163.587536	4093.881195	0.000297236	4993.016528	4485.584406	4771.916249	1710.440535	4628.339297	1917.563279	4884.123961
3.68_662.2707m/z	662.2707432	3.680483333	neg													940.5836068	1056.116223	1103.136433	988.7495007	1234.461927	1144.721022	1453.850014	184.2356624	211.3377853	711.4739295	1123.580594	315.2606358	2153.176889	1433.064999	1536.628674	1754.879494	1372.34417	1230.047058	3230.891677
3.68_662.7725m/z	662.7724903	3.680483333	neg													620.1958534	375.0590374	683.1922379	642.9095376	326.7123192	771.5620179	981.9455146	159.1745568	165.1457879	622.6412817	591.598403	0.000297236	1116.947362	330.0251687	505.1623973	873.6514568	760.5036708	956.1730899	1357.955234
3.68_664.2845m/z	664.2844688	3.678166667	pos													2699.801098	3415.648482	2890.991516	0.000297236	2845.091426	1017.641735	2706.905313	0.000297236	0.000297236	3305.840535	1921.995836	1259.94296	1891.673409	3965.158523	2686.988281	3180.818164	3537.536238	5564.741249	3747.42167
3.68_751.8877m/z	751.8876826	3.680483333	neg													1275.481873	1325.271862	1444.056086	1087.816488	740.6835125	1783.542721	1493.901451	770.0627866	1584.670662	2363.299532	2413.523681	988.7333495	1695.676117	1339.532347	1428.424758	2771.766888	1998.660458	2123.505567	1223.77429
3.70_105.0338m/z	105.0338426	3.699366667	pos													772.2232773	696.0678225	718.3938407	725.1405681	694.5693572	823.0554602	766.8179725	746.0070367	721.7816322	689.5864657	739.5702848	712.8620149	546.3467814	727.0234759	808.607029	718.0654617	740.8102547	712.3466192	683.3150283
3.70_111.0532m/z	111.0531879	3.699366667	pos													2024.937731	2040.062148	1813.360783	1600.814944	1707.871434	1818.284413	1878.44359	1660.811042	1765.846715	1881.613423	1936.786469	2183.234718	1822.254795	1852.899534	1985.131118	2228.467481	1714.235809	1858.920729	1696.163305
3.70_157.0493m/z	157.0493386	3.70115	neg													3127.730543	2908.051877	2942.759442	2797.708619	2688.713325	1470.491117	3308.237659	4209.195097	2699.752844	1615.66583	3045.562825	4224.236092	2529.26337	2605.321579	3517.729453	3443.966475	3700.350054	4112.731631	2137.043329
3.70_173.0807m/z	173.0807356	3.70115	neg													2689.753516	2056.149069	2457.421881	2151.623499	2690.517705	2298.607491	2085.003132	4092.572742	3187.088681	2446.303976	2012.198352	2583.542535	2246.075094	2180.241557	2060.717623	2140.156549	2131.837208	2148.936067	1997.756354
3.70_180.0390n	179.0316774	3.70115	neg													905.0302724	1035.949801	1005.596306	1009.618182	923.1569261	514.4586634	1119.776534	1456.603287	1046.734904	463.1368137	1081.346803	1685.653084	784.1547396	988.7991534	1357.07015	1301.717356	1301.549865	1536.471744	762.8854316
3.70_227.1394m/z	227.1394403	3.70115	neg													7506.219869	7311.514985	7644.976867	7003.560412	8662.253572	10100.77989	8472.668353	8333.527613	5224.435346	9507.516682	7034.627803	4573.066256	6606.776804	6483.690569	7018.887452	7259.137102	7882.852562	7966.044083	8757.247044
3.70_229.1436m/z	229.1436015	3.699366667	pos													3794.295224	3718.182714	4129.674355	3960.39101	3229.274634	3619.734684	3914.109039	3662.396482	3964.576598	3927.429861	4188.970005	4453.62819	3834.004443	3403.383842	4152.43159	4395.420827	3877.72765	3608.637098	3464.162772
3.70_241.0689m/z	241.0689227	3.70115	neg													403.3243496	285.9792839	304.8153989	284.5532421	628.9106663	600.104902	261.012767	898.487135	948.3620775	541.7922071	210.6083253	471.9718706	221.0523483	280.1658516	204.2224425	164.1678454	217.4717779	255.9478232	349.8081877
3.70_247.0197m/z	247.0196871	3.70115	neg													465.1175635	376.6862857	427.5349654	370.1003172	348.7623779	82.03046317	567.6920481	903.3636743	385.486913	33.71345449	537.760878	683.5579432	274.1963009	261.1034372	612.5485749	571.3191043	652.3400282	801.6642018	205.3470238
3.70_331.0604m/z	331.0603667	3.70115	neg													765.5419904	704.6519745	742.6213193	881.1975584	788.0809056	475.6167721	590.513291	1169.770251	936.4729123	463.5333183	635.5495682	1267.227695	665.0346314	606.1532429	779.9020168	543.4611785	694.3414859	657.6235663	745.6817678
3.70_347.1692m/z	347.1692093	3.699366667	pos													1470.190537	1330.000635	1372.861209	1634.600756	948.9818083	1182.241623	871.8670833	2273.654477	1625.926251	1389.217473	932.6519538	1874.918947	917.960025	891.9747479	1491.903658	1246.283014	1392.35867	1294.516935	1067.466718
3.70_353.1782m/z	353.1782076	3.699366667	pos													1710.819501	1468.451121	1814.183777	1655.904177	2517.747404	2948.280561	1768.473761	1376.314011	900.1762711	2384.088133	1271.706453	429.3522826	1276.126697	1180.62087	1917.179011	2081.005324	1671.041249	1859.151101	2831.663542
3.70_353.5124m/z	353.5124095	3.699366667	pos													880.7388206	639.9959022	802.9582783	801.5258591	1168.534169	1373.764666	1242.847684	679.6668743	341.929097	1534.034676	863.4276466	248.9503392	477.839683	973.4198253	903.083057	1203.640469	824.3175546	785.8346542	1119.197466
3.70_457.9127m/z	457.912673	3.699366667	pos													1196.59965	1529.350618	2035.166008	1911.900484	2180.824209	3077.085296	2536.20394	2609.848479	944.7883258	3520.867543	1198.240803	463.4691244	697.7748685	805.998735	1504.166995	1265.409297	663.701273	972.6236407	656.5717624
3.70_459.4798m/z	459.479825	3.699366667	pos													665.4193058	816.4323977	881.3862305	873.6230003	743.8636426	822.8586996	514.9826982	1093.975279	471.6595562	1108.078947	580.9506943	562.731868	595.4688796	654.2017578	1338.004844	1397.753665	523.2013048	542.8925252	1096.307638
3.70_473.7355m/z	473.7354763	3.699366667	pos													640.7352455	410.7903612	481.5910158	655.3500932	1000.992929	281.0722047	649.5888479	184.5556718	216.5155518	626.2285562	282.9971516	350.4824251	242.4770905	425.5172901	390.8379529	656.574215	554.1307176	456.4115065	998.7147578
3.70_475.2501n	476.2664853	3.699366667	pos													1832.883922	2556.076896	2497.277787	1469.963079	3304.999727	3801.454772	3577.87333	1933.019943	1860.072727	5091.240179	2532.123968	850.6819002	2667.388987	2785.325349	3164.818803	2576.057839	2703.949813	728.3025258	1460.481772
3.70_495.9318m/z	495.9318297	3.699366667	pos													803.0653304	1450.857443	1313.82398	1337.350917	1629.726887	1294.379611	1632.317934	1200.651834	1670.488001	576.8771204	1261.22762	708.4008071	1632.049038	914.6151134	1598.505443	819.8343863	660.5748388	1694.639381	1543.739861
3.70_539.7819m/z	539.7819287	3.699366667	pos													1347.457492	1281.216749	1596.036224	1049.885255	1106.330342	1498.37144	1244.77822	1980.00272	1839.293771	877.0284525	206.6497756	3030.45577	4345.155483	1883.872183	1840.050194	1973.86626	2126.71252	1866.85182	1906.935658
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3.70_564.5432m/z	564.5432389	3.699366667	pos													5436.583332	4550.589156	4590.757791	6280.064086	3607.182714	3122.773465	4083.905004	5199.096445	7387.024722	3608.644782	5403.708918	6038.452401	3294.182545	2913.029006	4635.222082	6465.878539	5866.79656	4204.88481	4503.413844
3.70_564.7936m/z	564.7935922	3.699366667	pos													7241.135909	5994.659817	6937.27771	6515.448202	3345.234976	4120.163907	5575.522001	6198.957667	10521.32145	4943.057934	5869.069376	7800.058288	6041.188083	6747.545338	7443.0525	5583.898472	7945.238842	6700.710001	4356.449006
3.70_565.0441m/z	565.0441334	3.699366667	pos													3781.634276	3359.824289	2926.757102	4383.808932	2424.749768	2192.449333	3618.994175	3573.718879	5677.156562	3135.877291	2444.475494	4660.079234	3226.220959	4648.608824	4091.033045	4496.49481	4408.86064	4036.895685	4584.914318
3.70_565.2949m/z	565.2949353	3.699366667	pos													2666.968084	2637.802574	2049.988242	2315.907101	1293.738511	1301.945059	2435.451703	1790.650216	3226.138341	1141.334627	2835.613703	2194.422696	3022.797466	2565.500793	2230.633462	3335.743667	2624.061166	3345.590285	2428.360674
3.70_593.2999m/z	593.2998753	3.699366667	pos													3441.281776	3532.902518	4238.809669	5896.511648	3698.280499	2325.908743	3177.097679	4423.965748	4894.851762	3883.969835	2614.038178	6833.117884	6160.485925	3156.225632	3297.960627	2464.939401	2011.706383	2127.103793	2078.758556
3.70_593.5500m/z	593.550046	3.699366667	pos													4442.710982	4713.443346	3164.154107	4795.249712	5317.279053	3951.756821	5341.225841	6534.357846	5875.740311	3020.554956	3091.032081	8577.432262	6512.955973	4543.974648	4046.570363	3550.335343	3405.88723	2709.197135	3944.656843
3.70_593.8000m/z	593.7999951	3.699366667	pos													3527.1231	2526.523712	2680.438636	2127.483518	3972.244875	1673.493735	2899.374688	2973.967597	3753.698663	4530.447488	2251.527443	6226.034991	5667.636984	3177.066906	2969.599905	2420.36629	3054.924711	1996.731783	1998.009986
3.70_618.5618m/z	618.561789	3.699366667	pos													8031.08504	8934.028053	8951.875494	11570.75542	8198.934519	9179.277749	9503.346568	21940.35484	18998.72453	4718.94979	8811.344024	22366.08694	7332.054305	5243.153039	6541.231478	8366.373259	6840.208911	6260.001673	4008.489454
3.70_618.8123m/z	618.8123365	3.699366667	pos													10858.03194	12135.45354	11443.2437	13395.07814	9064.414348	9438.471708	7372.348685	23608.54369	26799.85396	6726.276165	7360.355851	28240.78831	7873.260745	6191.320003	8827.367184	9589.432125	8101.481741	6290.60467	5443.181105
3.70_619.0632m/z	619.063201	3.699366667	pos													7089.157184	8903.489605	7151.29368	7536.326013	6013.756663	7630.510878	5341.68081	13043.13371	16557.5983	4143.404892	5608.29716	16290.09876	5753.624768	5466.256959	4836.160647	5526.283933	5624.896435	6135.457339	3676.345903
3.70_619.3141m/z	619.3140767	3.699366667	pos													3826.224385	3150.569596	4273.210157	4413.493145	3700.028454	1624.360877	2479.068891	6286.26537	8005.978446	1663.656665	2927.14887	7840.037456	1915.197459	2847.41667	2523.031891	2394.518937	2427.743601	1607.259855	1895.560324
3.70_752.3880m/z	752.3880415	3.699366667	pos													1133.970887	1058.885329	653.0651245	809.6130552	0.000297236	0.000297236	979.550963	1444.40388	2234.196798	1126.757987	1076.463652	1397.361192	544.7916192	882.9533994	550.5006889	1387.566947	1488.613456	883.9429606	1090.993776
3.70_824.7473m/z	824.7473022	3.699366667	pos													2234.806315	2891.749496	2296.299715	2323.354759	2480.570619	1976.897691	2120.082173	5558.457499	5883.051502	1106.941681	1534.601716	5415.303224	3191.735683	1622.51578	629.6898047	1802.996219	1496.911682	2131.461091	850.3161347
3.72_125.9643m/z	125.9642921	3.72035	pos													3910.571608	3958.623867	3790.352699	4098.485295	3719.994351	3749.835713	3700.448181	3552.755461	3344.03308	3859.241632	4104.664147	3965.08841	3761.088004	4105.727203	4337.985824	4599.44877	3907.117283	4307.781439	3565.609232
3.72_158.0963m/z	158.0963423	3.72035	pos													945.9373704	783.2517736	852.157403	1011.294059	1151.459216	782.3263845	1221.696018	1228.541163	1251.372605	1033.97344	1041.209978	1061.198414	954.2199319	1024.850459	1030.564648	1073.829827	852.2635356	1028.063492	862.07466
3.72_187.0967m/z	187.096695	3.72035	pos													1504.440137	1601.082137	1436.898552	1108.975354	1593.643545	1435.577934	1619.109844	1302.3809	1239.132457	1251.254117	1312.887349	1499.446556	1277.830292	1493.93471	1569.386326	1814.088483	1206.241498	1560.002115	1240.35881
3.72_238.1415n	261.1309312	3.72035	pos													26402.49835	25192.37259	25751.093	13113.74825	32967.63939	24016.77505	28981.69081	32356.36922	17385.59047	15141.3327	22347.79902	28656.70259	15093.41092	25875.63041	11679.42128	20700.43296	17266.76198	17378.4133	24108.5116
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3.72_367.6549m/z	367.6549106	3.72035	pos													16414.38404	15876.90738	16356.16015	19712.17815	13731.72074	14819.38811	13926.28728	13806.63118	18311.51076	13363.26541	15436.02589	27349.55711	12110.2362	21520.96862	15722.70214	17711.48538	14056.49513	16865.08245	18459.25733
3.72_372.2003m/z	372.2002518	3.72035	pos													1720.749675	1334.665735	1784.532057	2218.934564	1354.809874	1272.37173	1994.073161	1276.259507	1389.623146	1008.804649	1992.748951	955.8120187	1606.641245	1618.658771	1565.40776	2306.480934	1919.213988	1279.082644	2383.03193
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3.72_395.1161m/z	395.1160678	3.72035	pos													1722.389171	1265.967553	1334.060689	1529.57753	977.3589213	1260.80784	1202.278271	1260.104255	1579.403244	808.9191758	1353.338377	2896.905026	1330.21998	1545.978952	1910.571767	1718.835908	1612.149758	1252.944685	1456.195723
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3.72_472.7569m/z	472.7569071	3.72035	pos													568.6360782	512.2338861	465.7209773	591.5411522	1073.813501	682.432243	1128.21234	940.4401963	918.1556388	1162.583389	620.7035338	995.4599034	605.7403978	625.8587987	383.3143596	832.738797	737.0875841	213.4581579	691.0488508
3.72_473.0071m/z	473.0070789	3.72035	pos													381.8560484	581.3542207	549.616591	364.7422962	669.8638374	596.6404714	596.4810375	250.3292919	729.7510113	381.3640227	310.1612999	965.3814571	580.7434171	435.3842325	343.7521415	194.9300184	190.5035314	0.000297236	335.1991476
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3.72_473.7470n	474.7542664	3.72035	pos													6842.186542	8365.899536	8276.815689	8045.618427	9503.999567	7592.050648	9782.903694	8570.030749	7562.616376	10182.22172	7506.759688	5992.301503	6018.112099	7008.320247	8442.211951	7012.255208	6409.04681	5835.445227	5371.978807
3.72_496.2661m/z	496.2660676	3.72035	pos													819.3179149	610.9588	855.6571732	1066.185643	869.5921457	826.7619175	808.1214054	962.2605407	873.7352192	708.0883494	1248.074961	1025.914532	1408.46413	807.9287632	522.9121532	584.4529977	955.201202	613.7535994	1018.931136
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3.72_509.6072m/z	509.6072107	3.72035	pos													1365.375343	997.339556	1008.637619	1229.230317	903.4085855	1284.719519	2813.590937	480.1426517	380.3049816	2034.834229	1477.02958	602.6804182	1383.344179	2183.700991	1628.980631	1437.504773	2078.634256	2046.904577	3205.772114
3.72_509.9414m/z	509.941425	3.72035	pos													783.1534973	962.7628205	909.6938019	926.6385549	567.7963816	405.2298877	2202.080484	349.8608535	255.7536603	1704.950918	1078.427799	421.8187681	1030.933143	1500.599486	1372.454068	1927.9116	826.5956769	864.9140822	2105.61992
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3.72_590.3041m/z	590.304076	3.72035	pos													2171.245837	2572.853632	2773.952698	2431.103371	1638.399702	2010.74279	3260.331772	1918.428593	2479.405361	1095.73217	1099.044523	2781.063943	3448.118645	2626.880816	3410.569981	2645.104809	2843.672627	2957.286604	3354.504311
3.72_594.0507m/z	594.0507014	3.72035	pos													728.3246126	1011.454562	1288.76413	1231.409744	1574.311299	1174.946046	1423.569147	1266.956384	2131.302291	2044.761238	836.6527515	3617.189007	1701.272121	1364.831271	1806.862467	1140.671684	1124.579155	496.6247749	1180.422566
3.72_622.3159m/z	622.3159061	3.72035	pos													2682.862265	2123.054473	2843.430009	2827.947723	854.5251874	1194.503918	2504.731212	2353.202295	5037.603913	1552.121254	1713.537027	2350.476514	3836.761655	3755.004114	2342.077152	3265.234859	1642.0654	1930.031991	2000.923967
3.72_622.8178m/z	622.8178164	3.72035	pos													712.9480825	571.3592634	566.766202	401.4348932	262.0271738	0.000297236	501.8822294	1269.684275	524.515575	842.6137817	796.836808	0.000297236	1777.501264	987.3553051	290.1627291	359.08376	903.5319839	434.6302765	281.9737061
3.72_651.0732m/z	651.0732222	3.72035	pos													2687.77573	1762.525133	2209.935351	1019.348655	1491.776575	1055.407237	1506.530756	1760.689551	2705.428915	298.1753503	2712.63255	2404.37567	4015.134204	2689.046968	1415.915435	717.3938623	513.43765	1059.179383	1233.150838
3.72_676.0843m/z	676.0842574	3.72035	pos													3210.075692	3919.029889	2877.628652	4106.758043	3345.46652	2008.089901	4474.616609	4873.864819	7892.143204	1901.502305	2448.607819	7251.661497	7950.113629	3647.005128	2213.812083	3200.488396	2608.08107	2759.621962	1523.007318
3.72_676.3349m/z	676.3348544	3.72035	pos													3137.339357	4870.392455	3578.115439	5203.983674	4307.541994	2230.277433	4248.876405	6737.3438	8953.666962	2600.178472	5348.258601	10752.44836	7676.139725	5781.37723	3099.964978	5338.402704	3238.819304	2488.481339	3370.634897
3.72_676.5858m/z	676.5857735	3.72035	pos													2838.465982	2964.235133	2353.548622	2976.940009	4069.719509	1740.09675	4560.302565	4001.503432	4716.743938	795.6648304	2808.583138	3369.104351	6607.93542	4038.595802	1883.925879	2682.298753	1633.249533	2294.314457	2225.419631
3.72_676.8358m/z	676.8358214	3.72035	pos													861.0529579	1316.181671	1526.798309	1628.02388	1523.377518	601.3594977	1567.630204	3074.210276	2123.339636	957.2073595	1393.415667	3050.081909	2397.283924	2430.219187	399.3203524	339.1333643	1380.953852	1587.418227	1486.157542
3.72_732.2884m/z	732.288368	3.721766667	neg													22729.99434	20086.23907	23498.78968	23680.6698	20825.38468	21189.83739	24007.11294	22031.16655	25051.2216	14809.12031	22872.60386	29293.50776	24827.31954	24405.79921	25039.62835	23863.57604	23767.40375	26817.48436	22401.93298
3.72_754.2701m/z	754.2701169	3.721766667	neg													8400.752607	8261.298569	8216.128762	8223.394636	8065.855357	7954.529365	8724.903479	8229.179176	9638.511209	5480.079707	9148.624397	10933.87202	8579.068485	8850.162357	9098.022983	7383.98609	8013.087755	9462.393118	8183.749627
3.72_776.2521m/z	776.2521325	3.721766667	neg													3461.626505	3642.711267	3511.966498	3661.962268	3118.862917	3803.452627	3231.489599	3205.349143	3722.319982	2334.905942	3543.20156	5611.237809	4226.778404	3788.949456	3596.07658	3933.187603	3508.30715	4411.466726	3158.499184
3.72_844.2396m/z	844.2395774	3.721766667	neg													1447.433668	1219.086277	1215.832939	1402.908882	903.4983073	1452.356131	1501.478609	1103.52214	956.7393396	610.7542393	1169.332458	2125.123468	1858.349083	1197.000245	1280.791357	1260.338748	1577.785847	1872.606919	1305.733358
3.74_156.0654m/z	156.0653512	3.743483333	neg													10510.23065	11015.78023	10780.97625	5195.153304	15539.33159	5168.42371	7430.698275	38404.33045	22225.73194	5602.375413	5719.891158	7888.011207	7716.42998	11539.63541	8640.360699	6649.025566	16300.64407	9770.884183	6587.366949
3.74_173.9936m/z	173.9935705	3.743483333	neg													759.5416059	937.3490644	743.4726042	774.8522292	100.5130887	28.41603003	792.4283234	909.6444449	508.6542187	254.5163164	392.4606798	2105.155702	587.9414035	1741.94861	2117.68721	791.7469431	1135.862889	590.0885737	625.4169916
3.74_174.9860m/z	174.9860241	3.743483333	neg													451.1465082	484.5048537	508.4026997	478.0919837	60.28370798	0.000297236	534.0216275	623.2079479	228.9530006	187.7343138	324.3001081	1190.482906	342.650969	1014.067685	1171.7045	378.6561695	646.9591776	377.3719141	375.2140292
3.74_194.1390m/z	194.1390271	3.742016667	pos													2970.995133	3573.673561	3113.060987	3146.736444	3040.709891	3128.830001	3134.322467	3199.759053	2814.323652	3165.715246	2975.39339	8536.604407	3422.532907	3428.739852	3573.705616	4182.20785	2859.240137	3261.020499	3263.758991
3.74_204.1230m/z	204.1230029	3.742016667	pos													1583.016774	1508.898015	1292.423798	1446.232511	1524.456189	1855.656368	1852.748824	2006.207475	1719.666916	1558.030161	1456.898612	1454.628057	1234.184249	1237.588663	1757.879589	1711.973526	1540.166462	1483.472498	936.9588733
3.74_214.0245m/z	214.0245458	3.743483333	neg													186.7168918	184.9994876	130.6316619	0.000297236	277.3316778	0.000297236	45.78480248	693.5059004	294.1297667	0.000297236	71.54167413	0.000297236	80.15877179	244.5754008	154.336101	46.28520706	341.6086398	95.72892717	70.19917434
3.74_214.0325m/z	214.0325015	3.743483333	neg													512.3421242	541.5123751	500.5461436	454.1897002	304.6449317	528.5472217	302.7506545	1518.689345	1118.204714	366.7783826	299.579475	1043.816783	373.755632	244.2237478	265.2636675	415.5058572	405.927449	486.0878174	392.3410072
3.74_224.0534m/z	224.0533515	3.743483333	neg													4494.513541	4899.366715	4833.89716	1993.258991	6733.206679	2144.511648	2845.140934	17339.69241	9894.254575	2155.026851	2274.319872	3150.744287	3075.890786	4852.746933	3501.68868	2774.579424	7531.827407	3888.534254	2767.47554
3.74_240.9784m/z	240.9784136	3.743483333	neg													1289.216391	1288.832055	1347.127312	1202.258706	148.3983946	147.2185459	1460.19489	1680.546262	774.8984405	571.3513587	811.9628919	3463.992613	1059.705622	2795.571209	3381.435532	1246.344506	1805.841248	1210.854779	1094.026238
3.74_241.0438m/z	241.0437705	3.743483333	neg													656.1452245	708.0212789	635.6567764	199.0075958	1370.896788	263.1169688	474.9891288	3325.238434	1602.59144	258.3402148	268.1078914	459.6895196	527.0630803	753.8110534	535.9346636	248.8712061	1179.327604	571.7881438	463.3204441
3.74_265.0304m/z	265.0303911	3.743483333	neg													685.5358372	728.7913849	618.2032229	686.821547	248.1425706	627.7113867	233.4446889	2086.558996	1600.505246	403.8881956	373.1610733	1411.058819	348.835268	248.6681038	384.4031708	564.6405754	506.8462299	817.6221254	494.79657
3.74_360.0290m/z	360.0289541	3.743483333	neg													1338.909763	1404.403708	1412.552315	537.3800256	2054.897203	455.0069893	859.2417973	5542.342284	3329.230179	485.1827315	748.5473592	1030.090334	980.8765194	1516.867652	1186.268263	896.1422529	2384.681007	1217.012993	840.5871865
3.74_376.8859m/z	376.8858521	3.743483333	neg													2591.953972	2758.920352	2378.596912	2533.839727	2189.678559	2428.529505	2858.809155	2487.200312	2674.683935	2400.879268	2855.616701	2373.314292	2469.185503	2626.54636	2400.314649	2577.374805	2442.651266	2872.254552	2536.463372
3.74_428.0162m/z	428.0161716	3.743483333	neg													615.5577809	510.8478654	554.5367966	383.3843247	1188.44667	233.8042051	275.1775342	3221.329736	1185.248312	91.2754371	181.7842054	455.1789194	374.1620855	786.458533	420.6982805	356.4057012	883.8804055	499.6522415	265.9634916
3.74_467.6950m/z	467.6950305	3.742016667	pos													4621.200351	3790.648075	4200.038315	3925.444239	3733.707044	4233.269561	4095.780911	6120.555067	6549.511675	2977.814844	3948.752164	8022.050662	4670.91659	3349.982772	4047.781908	4469.925695	4160.072022	3119.644963	3554.777407
3.74_468.1965m/z	468.1964912	3.742016667	pos													1501.687616	1438.172041	1680.501038	1999.189384	1662.289774	1195.224239	1571.772724	2226.055095	2011.611913	980.1637628	1325.052742	2989.874264	1360.379803	1523.022166	1246.935714	1769.556535	1738.275794	1083.367964	1511.872677
3.74_540.8212m/z	540.8211881	3.743483333	neg													14728.35295	10256.81203	12381.05238	13029.56144	12061.45903	12748.12147	13473.07998	10953.66722	11511.04067	12486.52991	13657.75821	12053.28167	13162.25053	12761.99563	14279.37557	14829.57052	13973.28111	13811.68873	13085.32933
3.74_552.6276m/z	552.6276459	3.742016667	pos													2651.737857	2947.062562	3116.724525	1396.141589	2125.786026	1906.536171	3540.017312	502.4701246	493.4527955	3316.522662	2122.586128	527.0607386	3190.220861	3878.791718	3811.976834	3112.895885	3676.475373	2250.066941	4061.385818
3.74_552.9618m/z	552.9618358	3.742016667	pos													1465.807313	1346.359353	1252.247964	512.9839259	644.5371106	214.9227282	2146.344917	0.000297236	379.0674445	1747.861228	864.937677	0.000297236	2227.849224	1282.841546	852.6451837	1189.817273	1252.224928	1498.552672	2120.295273
3.74_558.5670m/z	558.5670041	3.742016667	pos													828.5938515	1135.252528	692.4972712	868.7048908	769.128067	819.6801307	960.2314508	373.1828545	503.652527	737.7203154	804.7343688	799.1439725	1466.071777	1362.511404	1895.917046	1793.874427	801.3474813	1439.629287	1340.738941
3.74_624.6521m/z	624.6521144	3.742016667	pos													10029.23836	10880.74438	9456.12917	8827.063389	10297.06113	13306.51327	16762.49927	5192.286023	4042.312564	12227.96698	11218.56391	3357.155831	15403.68362	13364.72765	12041.08042	7659.137837	11721.42527	6077.090757	11847.34788
3.74_624.9863m/z	624.9862844	3.742016667	pos													5409.868654	5374.615	5258.252731	4045.161094	5111.728357	6681.777681	9454.199173	3089.081171	2355.949653	6930.27614	6446.795291	2261.085609	8666.209018	7147.508742	6584.05603	6070.055896	5192.795832	2860.833198	6827.784064
3.74_932.3679m/z	932.3679112	3.743483333	neg													1583.308961	2155.227371	1718.921066	1422.489287	2466.825732	1461.530705	2383.410325	3193.579537	4088.380107	1647.090039	1724.943482	3808.152084	3212.549984	2086.991172	1652.218175	1599.517171	1763.377715	1939.945468	1577.986297
3.76_129.0543m/z	129.0542979	3.764833333	neg													9589.460116	9625.784581	9600.646085	9453.439273	7286.006494	9378.833385	6742.779668	19118.80425	16590.1632	7781.201451	8043.759032	14899.93288	7335.92712	7044.027003	8264.817776	8666.855314	8310.07841	10113.33481	8066.861884
3.76_164.8943m/z	164.8942882	3.764833333	neg													1043.431011	1337.039016	1175.310783	1198.024694	1250.472275	1330.972184	1277.873536	1090.340973	1288.506587	1244.01329	1256.255733	989.1268966	1219.139797	1133.048882	1204.314098	1260.749519	1192.078332	1342.993849	1231.062874
3.76_187.0601m/z	187.0601203	3.764833333	neg													697.2761422	729.729398	652.5151186	455.1087583	625.7660368	422.3279013	530.3901863	2630.052855	1285.328658	415.7591256	454.7095432	846.8906368	502.3506955	500.7114168	514.2413297	449.8764756	482.8192313	614.9198536	475.2457389
3.76_197.0420m/z	197.042008	3.764833333	neg													1521.65909	1784.172197	1657.949487	1634.09025	771.4047463	1457.03936	690.4404758	5225.659256	3871.064693	1044.921391	1138.862374	3535.07443	823.6093322	751.6445282	972.6327105	1340.192023	1152.584136	1746.525949	1251.468789
3.76_197.1174m/z	197.1173941	3.763516667	pos													2746.580216	2887.503321	2792.044976	2498.210221	2369.449751	2694.710485	2330.389801	2502.59305	2318.423347	2877.031238	2819.099002	3151.48824	2341.606288	2992.589408	2966.952678	3127.579716	2313.190894	2898.669895	2710.35854
3.76_224.9623m/z	224.9622745	3.764833333	neg													1197.878804	1301.955032	1076.209347	1314.806183	1256.826073	1248.187004	1384.029375	1438.631901	1275.732523	1229.507016	1352.931182	1247.7299	1400.324891	1294.867287	1352.415435	1434.365057	1192.079486	1312.322288	1163.734806
3.76_282.1190n	281.1117589	3.764833333	neg													13093.4296	13891.04856	13062.30009	11989.89429	15586.85343	15192.85437	12824.77723	14600.86783	14898.23065	15568.30516	12144.59989	15020.29479	13707.527	13525.48575	14217.96079	12958.29202	14801.3687	13145.1466	15030.44134
3.76_317.0882m/z	317.0882458	3.764833333	neg													840.0298035	896.2888366	768.5467315	585.7146123	853.0566556	967.2246922	782.0484692	855.7175848	944.94775	1231.493309	566.6473793	960.4088551	728.2752381	746.2850768	906.6819341	763.1587119	648.2359445	757.6372751	853.4488926
3.76_322.1254m/z	322.1253876	3.764833333	neg													518.4737731	554.6507838	532.4874915	587.4634488	709.3479318	577.4488925	411.2037885	532.7151703	665.6500906	610.5729523	487.44815	694.2286572	607.8038124	527.0913338	689.2013593	571.535153	636.5663842	591.6034235	703.1127009
3.76_327.9100m/z	327.9100336	3.763516667	pos													643.7184111	757.5778668	412.4555453	1606.421171	105.7225704	590.0839263	358.0596651	744.7626858	255.2965244	300.9776571	513.4781698	1250.350549	500.5027896	300.9064072	784.3100926	864.8884224	677.1288787	1570.737709	1240.725839
3.76_328.1607m/z	328.1607099	3.763516667	pos													413.6121055	465.7641274	280.246521	741.3976336	235.3050699	370.0732061	0.000297236	395.3159897	0.000297236	261.8879816	456.0991086	686.0915475	293.1305695	127.5208632	667.0999383	624.8949167	523.3268942	1685.667778	952.5690371
3.76_328.4112m/z	328.411232	3.763516667	pos													223.6427058	189.4895157	224.6127623	441.9448559	0.000297236	125.1651199	0.000297236	112.0618106	245.2551142	85.83923169	0.000297236	264.7493452	89.28611009	0.000297236	294.062291	0.000297236	315.6436615	609.9624358	421.0623429
3.76_372.1775m/z	372.1774576	3.764833333	neg													6270.938826	5929.907887	6068.102894	7918.041452	5633.876731	3394.658524	9097.638457	2138.98943	4044.706518	3764.744025	8898.016743	8189.159705	8351.200737	7364.514788	5277.045066	6027.706086	7045.02764	7569.452599	8750.040153
3.76_374.0647m/z	374.0647136	3.764833333	neg													5237.663331	5153.409152	5130.84512	6909.927877	4514.186595	14421.60152	2570.601371	8216.550907	10147.86843	6849.305891	5287.259494	5122.654668	4242.42364	3083.877755	3640.831084	4909.504821	2635.286737	3506.846487	2474.110366
3.76_394.1593m/z	394.1593405	3.764833333	neg													1521.872535	1659.58871	1633.995492	1943.036415	1451.4165	853.5719722	2493.825067	544.6262832	1094.019598	810.90849	2437.446868	2284.205587	2188.188394	1939.54021	1363.934703	1591.927373	1851.915384	2146.793537	1968.166803
3.76_417.0867m/z	417.0867472	3.764833333	neg													3730.290036	3677.586556	3833.090383	3596.660609	4286.368975	4362.793315	3754.295862	3703.812855	4140.204241	4227.450749	3871.819479	4030.3257	4118.894021	3644.231538	4411.229168	3436.234397	4083.681456	3815.059394	4106.519845
3.76_434.1236m/z	434.1235513	3.764833333	neg													278.8382899	285.6110178	433.5729929	0.000297236	0.000297236	0.000297236	0.000297236	2484.863095	1539.738551	0.000297236	67.77147706	695.9181123	0.000297236	85.18938717	0.000297236	0.000297236	0.000297236	76.39019527	65.61005529
3.76_490.8977n	491.9049471	3.763516667	pos													1309.510691	1940.688401	1526.415536	1405.193422	1792.731545	2199.222974	2938.724965	0.000297236	956.351808	2588.960664	2084.948076	742.4816781	2400.158256	2654.063221	4132.466485	2154.978338	2436.014676	1413.526925	3030.124456
3.76_492.2395m/z	492.239467	3.763516667	pos													1155.431129	640.4052652	853.9242532	678.0924456	1302.180233	964.9027744	1325.325217	0.000297236	276.3495321	992.913033	1354.21098	0.000297236	908.9889722	1269.70756	2254.556514	1753.137997	1314.01059	1494.871985	1501.324004
3.76_498.0180m/z	498.0180424	3.763516667	pos													1316.884474	1050.020062	1499.56182	553.5921346	2484.886254	2580.081153	2676.106797	1917.155364	2036.532696	1135.354917	1001.775893	1265.253753	1486.533288	1215.242642	1218.84747	623.3355417	666.9832494	0.000297236	496.8598554
3.76_508.2550m/z	508.2550307	3.763516667	pos													2633.441171	1440.082274	2294.974985	1148.64081	3629.253542	2177.012563	2811.57092	535.8268908	258.6075378	3689.720875	2340.789111	747.9238056	4121.339087	3489.612149	2812.623603	1557.216228	1962.879864	1100.637884	2776.775383
3.76_508.5894m/z	508.5893849	3.763516667	pos													813.7894597	1001.924345	1031.286275	762.0895691	1832.435024	1268.596084	2311.768234	472.7689765	227.9529871	2529.732145	1659.844995	180.4081011	1589.584753	2264.683482	1522.056396	895.1506732	1393.652875	1034.522986	2085.894458
3.76_538.2383m/z	538.2383057	3.763516667	pos													2591.852338	2573.939332	2022.128005	1745.521906	2801.99891	1851.995536	3435.277682	1444.722972	886.9437352	2616.825738	2711.778633	985.3269642	2638.070225	3770.106875	2540.194372	3051.846743	1928.924074	1409.113008	2650.026825
3.76_538.7400m/z	538.7399639	3.763516667	pos													967.3868597	1229.152061	1168.457718	908.2573997	1247.35539	1061.327675	1284.170983	228.5581468	774.4326195	1241.816425	1455.231619	351.9028207	1371.620935	1625.601616	1508.353161	1007.099409	1097.184642	738.3080077	1065.789373
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3.76_662.6656m/z	662.6655955	3.763516667	pos													4055.013884	5871.179169	3405.215042	2069.826971	5128.136611	4046.187323	4624.28229	4970.908432	5052.566814	5341.651444	2277.426694	7521.039568	8604.198647	4619.152305	6276.557325	3617.081253	3706.05543	1569.278526	2758.381234
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3.78_404.2386m/z	404.238564	3.784616667	pos													3789.545249	3370.038055	3996.210831	3320.507103	7747.310671	4149.365433	1573.542914	7545.627245	7205.062461	2529.6044	2795.745533	7449.651383	2505.901154	2272.025466	2620.036878	2326.342603	2492.298367	4625.428107	2472.998008
3.78_404.5728m/z	404.57281	3.784616667	pos													2601.835891	2184.311318	1829.151062	1891.848444	4307.818085	2957.887935	1470.292911	4607.33386	5008.965008	1901.168266	1522.377474	4903.334127	1041.807375	1460.551	1199.151033	1999.713449	1504.304829	3050.991694	1460.662739
3.78_404.9072m/z	404.9071537	3.784616667	pos													684.7508399	782.2316863	658.8749695	687.2316372	1092.910738	784.2473757	153.0963444	1436.026954	1372.679754	573.2960719	325.4428993	933.3498525	160.8790138	414.5014549	379.4861671	382.0033397	229.3698322	707.6522358	224.8128955
3.78_487.5066m/z	487.5066486	3.784616667	pos													1087.16722	1662.560658	1456.589787	1922.446366	759.2654683	919.2304323	1229.24969	2298.909364	1432.564354	1131.975055	943.7108439	2328.392268	1513.285884	579.7510864	2070.401461	2052.655683	1691.132545	1832.589106	1582.31848
3.78_487.7578m/z	487.757817	3.784616667	pos													1399.182422	1475.528562	1334.986115	903.7752882	807.4866838	374.9271449	452.6717497	1512.859378	1614.389652	381.2774794	1155.373854	2156.043442	969.2593383	656.3202883	1794.568609	1627.144716	1080.369156	1263.883621	1646.037599
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3.78_504.2592n	487.2558953	3.784616667	pos													3024.356456	3339.324308	2822.763032	2456.112983	2480.740904	1514.018455	2149.670654	3920.644273	2145.900625	1318.599618	2155.424393	2876.141447	3609.062809	2501.975717	2523.973167	2398.73745	1931.558278	3220.084959	2643.554427
3.78_560.7814m/z	560.7814479	3.784616667	pos													1492.946521	1248.759721	999.7017809	381.6818571	1807.487178	719.6965012	1924.99316	176.9010675	0.000297236	2090.835	695.4593657	450.6444056	1284.493671	2345.847379	1613.698427	995.4413086	465.5279596	771.4006695	1452.081049
3.78_561.0317m/z	561.03174	3.784616667	pos													508.3979536	510.2054893	369.2946014	711.0714392	1328.256472	0.000297236	568.5000312	0.000297236	0.000297236	829.6472588	1019.620165	0.000297236	1055.558563	1013.530027	1143.914196	1183.976757	686.6347109	304.0500088	0.000297236
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3.80_831.0888m/z	831.0888356	3.80485	pos													2780.620357	2359.922125	2296.205861	2702.046216	626.7977361	1871.323961	917.6322959	5727.757021	4216.636542	506.0781016	1151.635986	4488.323457	3235.383825	1558.396187	2235.768014	1982.194719	1681.027181	647.8303268	0.000297236
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3.81_738.2753m/z	738.2752566	3.807833333	neg													1207.74978	765.0922814	821.5811462	1140.154116	408.2209471	206.5645458	942.8727787	1251.351806	2502.538524	227.0181487	848.9572478	2075.693589	797.3553807	756.9582271	501.0882358	521.0115573	378.2477658	404.5585002	851.1275438
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3.83_159.1380m/z	159.1379665	3.82585	pos													2467.76834	2269.786491	2535.153505	2428.716537	2507.49259	2490.461328	2287.743755	2515.71668	2191.678405	2129.795856	2560.760091	2382.579342	1841.400151	2304.094715	2449.000809	2788.423267	2645.612703	2243.055221	2076.034552
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3.83_228.9024m/z	228.9023658	3.829583333	neg													940.4856474	1074.399201	1044.217533	1002.435527	865.5427632	1100.32733	1018.961666	1121.407398	1078.19199	1134.456494	1297.708722	912.2881583	1005.300747	1091.582385	1140.044695	1126.16946	1052.919555	1195.657458	1005.632412
3.83_234.0800m/z	234.0800448	3.829583333	neg													804.1010983	768.5804373	820.3908596	533.5153434	869.698263	691.4781242	524.4568121	1494.45752	1285.835616	683.942358	493.9885823	987.0784001	518.1875007	632.9620709	582.4276316	384.6431598	524.2847917	551.8387724	630.5925616
3.83_237.9562n	282.9547709	3.829583333	neg													3905.434557	4509.114441	4432.832866	553.449773	461.0436402	588.7418411	536.3737392	23048.24129	24061.81754	510.9829816	621.6505219	18188.65671	540.6237374	465.3744156	468.8453074	532.7230566	497.3705913	334.9471888	533.4679184
3.83_239.9531n	284.9518233	3.829583333	neg													3701.967932	3963.514	3895.40415	110.1622507	35.43251676	34.72206779	61.78632126	23040.96947	24033.11959	127.3390513	0.000297236	17767.7395	59.04720727	71.03811808	67.98009993	68.06737251	71.30273245	0.000297236	68.27509444
3.83_241.9508n	286.9489577	3.829583333	neg													1141.509949	1282.597652	1258.98966	4.165031572	2.713069892	0.747730975	1.727276448	9904.865518	11210.95998	4.385155216	4.724947297	7132.163401	2.592183392	1.168058266	1.347200261	35.05541048	1.161456122	1.531591059	2.560641941
3.83_251.1732m/z	251.1732082	3.82585	pos													1330.84775	1944.372747	1780.062727	1038.95388	2419.272272	1881.773501	2739.435614	885.0165852	1049.33472	2173.275975	2307.04748	1465.415928	2443.777512	2413.667069	1081.261451	1233.424265	1878.397721	1045.734141	2297.596336
3.83_251.6750m/z	251.675024	3.82585	pos													410.2656898	433.2703133	348.9688262	298.0735898	706.08012	377.8294076	791.8836816	220.630711	272.3758264	609.4556883	588.6090713	168.4636727	622.68082	357.6737149	325.7276744	246.0225293	342.644312	220.11147	401.7595925
3.83_254.1961m/z	254.1960712	3.82585	pos													49552.0387	68944.20072	57456.20465	49071.42048	61949.55294	62825.36562	90927.93505	76230.54539	80969.73896	58292.94386	94096.15973	98705.36948	81323.33321	81634.70721	69660.94827	72369.65986	45389.59172	55090.12184	88650.64528
3.83_276.9204m/z	276.9204014	3.829583333	neg													760.7897515	677.1240941	659.9825382	187.9191764	113.7709661	180.4119028	47.11014572	3418.916527	3891.516104	71.1618659	253.4834686	3247.949392	225.5585539	328.0457382	353.433674	231.4039402	126.5287294	375.233279	70.90973046
3.83_297.0661m/z	297.0661484	3.829583333	neg													1089.974198	978.4732343	1150.851608	1208.918009	1072.343341	1474.719152	1249.978631	514.4136038	835.3837265	1347.657816	1028.880186	1091.927187	1278.773205	1517.140111	1340.506526	1241.379495	1395.20467	1202.993433	1814.707384
3.83_301.9416m/z	301.9416421	3.829583333	neg													1956.007196	2093.976122	1968.829901	528.3218109	723.9125189	620.7472713	559.0874711	9089.803101	8564.181438	579.5372351	619.5112464	6186.979329	677.3820412	687.8619858	672.3903726	735.754515	623.4925086	589.9763411	673.5347908
3.83_311.0725m/z	311.0725085	3.829583333	neg													893.7783028	730.7344721	780.9005658	824.0184814	573.6500972	1484.412996	637.2950006	1667.341455	1612.157229	1179.104265	517.335399	950.8910266	534.6113862	613.0401936	646.9972717	354.7908114	793.6456752	539.2669485	619.0300846
3.83_350.9423m/z	350.942268	3.829583333	neg													782.5172491	886.9184825	710.563375	428.8829758	219.7214605	377.007419	0.000297236	4190.315081	3775.517473	187.2683545	389.9793264	2784.117549	202.8631357	110.8770874	0.000297236	115.8075835	274.6776971	213.0510396	525.1097935
3.83_352.9392m/z	352.9392041	3.829583333	neg													528.4726103	535.4680602	481.8826465	91.65235352	0.000297236	41.14267523	50.90663373	2826.19605	2878.686913	0.000297236	0.000297236	2185.718599	88.74319767	51.69132708	0.000297236	0.000297236	0.000297236	162.0785512	0.000297236
3.83_375.5487m/z	375.5487443	3.82585	pos													1050.27716	952.1939971	881.6829126	762.8054555	1056.777528	721.1314833	874.064409	480.9973111	253.2848838	782.4106312	617.1887258	485.7946626	1369.15545	507.2436885	605.0294291	651.6378015	630.8060856	426.2968202	1244.211347
3.83_379.0598m/z	379.0598093	3.829583333	neg													465.8600536	287.5095847	464.5183966	358.193205	414.0315907	746.5616685	225.8043621	897.454461	948.2019329	723.5529256	228.2703607	569.8118545	272.5931293	234.2973279	326.321001	217.7811625	257.5784923	261.0730834	316.1890954
3.83_410.1485m/z	410.1485077	3.829583333	neg													742.3719488	854.4741157	835.5397949	578.4772908	1226.031037	1342.617327	412.1126543	4569.258202	1455.242212	768.251589	423.3939978	922.8483477	925.2234622	569.911963	273.2543846	445.056392	410.2095739	516.1545887	658.6914559
3.83_484.8887m/z	484.8886942	3.829583333	neg													284.9503078	391.0306561	300.133343	305.5582521	332.4641755	133.7554551	212.7584852	3597.651561	4811.951813	419.8948587	371.2973959	2329.61582	414.6659367	369.8949395	242.6082207	514.6475709	113.3274162	332.5272866	262.1853394
3.83_486.8866m/z	486.8865616	3.829583333	neg													214.0550709	245.3717455	270.7857443	256.6502207	158.3007446	224.8374325	209.329063	3234.987102	4053.260574	327.0398413	279.0389986	2271.837308	191.9439814	160.2755496	208.4791241	224.2420761	213.6800355	222.4943962	215.7152633
3.83_520.8368m/z	520.8368349	3.829583333	neg													6546.199128	6139.038964	6600.890845	7196.582855	6579.101372	6510.725163	6963.343998	6179.772259	6052.139721	6690.63503	7144.192213	6177.342596	6272.331606	6960.990733	6440.018503	7511.449251	6903.309879	7156.86033	6538.890082
3.83_806.1322m/z	806.1321816	3.829583333	neg													94344.50034	99944.94778	98039.4651	109858.9589	115550.5774	122155.7648	108212.5497	74919.06804	88355.10237	127304.5523	108199.461	72332.0515	112216.6581	103928.1871	105180.6961	102002.8574	102061.9211	103127.2707	103008.7529
3.83_874.1196m/z	874.119645	3.829583333	neg													26212.49668	27396.58594	25500.40766	31928.03435	30652.97244	34025.94954	30473.32324	20622.57179	27185.77452	34236.41283	29711.84927	19636.17571	30512.01035	28930.84092	28073.77726	26487.29116	27933.52772	27794.72763	28455.94788
3.85_179.0451m/z	179.0450576	3.850883333	neg													374.2720298	395.0708738	306.9152125	331.3668971	361.7880197	408.0905031	379.4161656	633.2813522	383.7075964	512.4186197	209.3832636	370.5547008	240.2508713	242.9619964	359.7996559	229.7209039	387.8569594	181.7138882	385.8275103
3.85_189.0759m/z	189.075866	3.850883333	neg													244.4348431	171.040993	202.4362695	254.0432837	246.6070002	234.1353581	166.2777501	494.3978743	244.7105444	188.0515371	258.0697452	206.8485047	168.212172	169.0696704	197.7668278	233.3085723	186.9335731	188.3728781	167.9627606
3.85_225.1233m/z	225.1232933	3.847383333	pos													1816.69145	1546.119007	1698.552406	1428.479276	1725.949228	3407.454214	1237.710975	1600.129471	2230.189749	3647.817566	1383.295206	2551.644224	1373.481401	1108.427674	862.8272143	1278.722124	1134.729331	1313.150023	1159.812907
3.85_243.9967m/z	243.9966937	3.847383333	pos													2816.058223	3055.067607	2772.107569	3132.027491	3102.586054	2916.322383	2624.164478	3069.25529	2649.016213	3032.178276	3119.582352	2842.443053	3233.192158	2878.411317	3544.130542	3423.485868	3331.242456	3346.316379	2799.883329
3.85_245.9946m/z	245.9946117	3.847383333	pos													2812.199925	2646.765155	2443.28125	2874.243111	3007.559581	2602.241116	2435.978538	2733.666553	2638.397382	2920.754884	2994.26287	2455.330183	2975.392709	2980.2508	3101.431279	3152.414435	3164.290716	3007.345129	2554.130059
3.85_250.0694m/z	250.0693622	3.850883333	neg													461.1407364	441.2092127	467.3370155	319.2374308	700.5413173	417.4692809	313.1110451	1002.16995	717.3970919	330.7958353	244.5084296	611.3197869	320.0213271	440.0989555	379.9128495	250.3514173	391.5912362	279.3074002	414.765887
3.85_262.0331m/z	262.0330755	3.850883333	neg													102.4551617	119.0819339	116.4584255	176.6394015	0.000297236	73.3141943	0.000297236	387.1987922	177.2168595	0.000297236	45.43208877	428.1192231	0.000297236	0.000297236	43.63622904	54.09743728	56.08064996	359.6619153	120.1417674
3.85_268.6575m/z	268.6574722	3.847383333	pos													2722.407228	2825.540797	3016.86144	2969.758583	3959.874045	2550.992857	2790.794284	2109.182182	2677.588307	2171.316151	2194.374612	3786.791397	3116.476232	3488.547707	3601.442967	3513.628064	3407.302895	2634.624782	3347.682417
3.85_344.7154m/z	344.7154412	3.847383333	pos													575.1558449	933.8963764	773.5236951	772.2962591	915.891834	787.1825728	1201.932864	554.5876325	281.6356867	844.8309088	829.5953841	440.3007917	1057.939311	711.6317288	626.0731086	820.3860623	1114.926107	700.8992498	1322.383401
3.85_349.6971m/z	349.6971477	3.847383333	pos													7064.0928	8104.706014	7341.64209	5176.316082	9380.305679	7018.825668	7561.50068	6489.776862	5483.522274	7970.707796	5755.52783	6021.908933	9486.089946	9547.185244	9501.648701	7805.487682	8480.866999	6191.741339	9045.123538
3.85_350.1987m/z	350.1987462	3.847383333	pos													1952.037646	2775.639211	2230.922894	1866.226841	3185.969606	2295.253892	2917.089711	1919.309995	1440.127478	2750.810791	2704.842378	2062.970672	3222.687735	3069.478386	3311.633418	2395.78959	2954.459949	2267.535267	3425.311017
3.85_393.5859m/z	393.5859176	3.847383333	pos													3655.032604	3563.733342	3345.378622	4616.786318	4291.732922	4010.526034	3576.330232	3021.969602	3272.749898	4460.565461	2960.587306	3222.574791	4121.904448	3578.266266	4280.442244	4238.827107	3991.678694	4480.622511	4154.874146
3.85_420.0414m/z	420.0413923	3.847383333	pos													25336.06148	24345.86123	25708.40962	28816.12682	30271.51112	29664.53465	24564.69028	18658.18708	21715.20322	32463.99729	27294.69896	20250.43022	27575.87295	26357.62819	29267.8017	28948.81675	26925.09652	30383.34951	26907.18725
3.85_420.5450m/z	420.5450487	3.847383333	pos													36697.06319	34247.7333	35846.42843	37884.07851	38544.32185	42955.37949	36962.94634	26771.324	31990.37904	43421.46785	37207.92796	27208.15468	34975.4429	36514.7989	40798.07892	38206.88188	38308.7371	37808.92585	37966.48413
3.85_479.5876m/z	479.5876411	3.847383333	pos													3247.258232	3329.677993	3300.235405	2749.405485	3856.488809	3437.11792	2660.913038	2120.885365	2110.722407	2987.935941	2561.744827	2710.840538	5333.060221	3329.100997	3905.170407	3707.615342	4927.789009	4030.636456	4992.910316
3.85_479.9221m/z	479.9220651	3.847383333	pos													2477.401454	2253.595885	2477.090165	1788.885884	2642.195961	2602.383036	1879.733642	1104.36115	1362.602801	1421.672435	2252.584932	1346.987587	3899.614662	2807.423102	2446.640496	3055.395582	2463.511913	2900.55152	3583.764279
3.85_542.2713m/z	542.2713305	3.847383333	pos													3590.743499	3738.422616	3469.025917	2973.851242	2479.639153	3562.830488	3873.953281	3519.038741	3699.963379	3302.161632	4007.062567	5879.897836	3501.80997	3155.352475	3480.227224	4107.495887	4543.729585	4048.52788	3494.907712
3.85_864.0896m/z	864.0896221	3.850883333	neg													1149.461974	1749.981186	1612.91618	1582.021343	1286.857077	1949.057161	1357.358778	829.103902	826.8800848	2151.891082	1921.902912	995.2229102	1682.974067	1334.108112	1466.278473	2028.7963	1174.77459	1664.776872	1164.785291
3.85_884.0748m/z	884.074805	3.850883333	neg													4034.575179	2711.397183	3581.828305	4259.793545	4019.0744	4165.80305	4055.239587	2204.613924	2578.375425	4237.902536	3434.73471	1915.85387	3782.588567	4399.69353	4088.61952	4128.545107	4013.813668	3534.07568	3913.483073
3.85_896.1014m/z	896.1014256	3.850883333	neg													6112.654477	6247.090691	6429.628472	8787.232208	7212.966552	9038.563963	7533.116788	4882.448968	6393.751325	9144.056072	7859.831453	4829.977191	8057.287852	7429.087126	8437.832109	6865.51038	7058.286863	6639.187205	6763.88057
3.85_964.0892m/z	964.0892314	3.850883333	neg													5141.968907	5314.669823	5341.592543	5976.755098	6698.993981	7111.016448	8157.05881	3734.927738	5222.963137	7768.670948	6496.928282	4395.218286	6323.350695	6472.576688	6423.927893	7008.78144	5600.160772	5587.743887	5713.631568
3.87_142.9667m/z	142.9667065	3.868866667	pos													627.2528456	539.2237144	592.1662746	620.5265951	593.3956042	597.6780687	570.0602885	671.4037548	449.9304002	573.1195404	644.0490698	748.7926672	513.0199599	562.8762906	568.8237521	575.5885076	637.5338685	605.530287	524.4364656
3.87_173.0807m/z	173.0807289	3.87245	neg													2021.245262	1780.976148	1817.839624	1592.483091	1767.683112	2139.982059	1743.738233	1866.942093	2011.531648	1938.113945	1662.445074	1873.880407	1892.807295	1874.579852	1891.350632	1866.151157	1783.63638	1905.092588	1796.249562
3.87_244.6575m/z	244.6575242	3.868866667	pos													407.2730688	587.0947107	605.5409882	656.1270518	638.5855681	547.4825965	768.1708879	231.940151	336.2898371	444.5222824	391.9053985	324.2908941	766.0407978	707.4293496	351.2437798	673.5827937	538.3529684	534.3008081	792.401501
3.87_268.0648m/z	268.0648464	3.87245	neg													271.698036	264.3499303	183.0548992	0.000297236	0.000297236	0.000297236	0.000297236	78.7548664	342.613629	0.000297236	0.000297236	3363.209971	287.380679	43.60704576	0.000297236	0.000297236	33.35894799	0.000297236	28.91956826
3.87_273.1680m/z	273.1680245	3.868866667	pos													3467.711923	3591.985827	3482.219147	3724.963181	3119.025839	4012.137942	4077.19019	3684.055209	3617.522315	3686.453612	3480.999177	3696.204375	3918.893988	4148.850042	3966.404507	3345.144676	3778.551916	3475.965953	3501.753432
3.87_273.6699m/z	273.6699409	3.868866667	pos													493.0706221	466.8647447	563.6712265	379.9297686	307.773756	530.4296224	652.3105403	733.6674363	712.3785693	510.3637455	388.415224	571.0849371	630.2879105	588.7261988	476.1506504	496.9203373	647.7477639	656.0169935	292.9930307
3.87_278.9708m/z	278.9708361	3.87245	neg													4750.459055	5061.245267	5124.60351	5949.13681	5463.134937	6309.208916	6301.550186	4826.007651	4977.415622	5618.445147	5735.900785	5209.935649	5421.367168	5685.218338	5781.126927	6245.564625	5770.050745	5918.305685	5635.849954
3.87_373.9646m/z	373.9645774	3.868866667	pos													3050.536013	3141.208648	2380.891632	4484.199348	2109.761878	3584.58276	3730.487436	2795.742827	2154.970355	2313.114535	2724.402655	2618.675914	4563.463961	3360.079899	2255.911843	2184.933364	3238.18124	2230.78595	3558.924607
3.87_374.2139m/z	374.2138613	3.868866667	pos													3672.929668	4008.435955	3896.705101	4792.505428	4576.155031	4208.676434	4229.02239	4371.036602	3246.710888	4170.020467	4603.71051	3137.300996	5637.589406	4287.608594	3428.296383	3400.312289	4804.119061	4048.376381	4851.025092
3.87_374.4661m/z	374.4660819	3.868866667	pos													1015.495085	881.2410961	866.6123199	1843.347365	627.9697684	1035.967499	1439.697188	766.7655117	471.9395916	461.7375868	1240.274742	858.3067037	1863.940271	981.4991663	565.5107241	474.8322459	1643.568923	1184.274417	1134.663386
3.87_444.8907m/z	444.8907026	3.87245	neg													5751.377426	6904.237904	6381.140277	6681.707551	6338.61289	7423.809331	6679.445715	6491.664529	6825.117127	6870.340927	7446.302814	5834.801464	5981.517464	7149.260593	6400.466153	7496.809971	6392.133157	6723.209388	6332.050436
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3.87_500.0941m/z	500.0940587	3.868866667	pos													2226.519899	2924.614329	2314.969493	1728.810351	2759.849718	2097.591756	2731.967482	3124.88668	3299.21122	2520.075101	2052.089315	4168.79493	3826.288381	2805.901966	2498.268839	2834.268053	3128.278001	1088.549475	1890.672398
3.87_500.4285m/z	500.4284742	3.868866667	pos													2717.39803	3153.789962	3308.02045	3337.886102	2995.809482	2905.89663	4722.616007	2780.852157	3422.959677	3159.08302	2204.575726	5846.581642	6497.681576	4368.102805	3257.10515	2188.805517	4490.814999	3394.824864	2272.531739
3.87_519.1018m/z	519.1017766	3.868866667	pos													6499.310082	7506.024569	9466.397076	7489.706454	8678.370259	10136.20771	10691.98574	6603.107039	3260.439238	12010.53723	14681.13985	7079.849761	10512.2991	11562.83714	8368.510386	8922.171229	14025.71469	10751.78996	14806.04719
3.87_519.2685m/z	519.268537	3.868866667	pos													17672.68772	16193.21408	18515.5506	15414.19402	17189.22665	16385.30193	19133.66665	13495.64372	9666.366071	18798.0883	17997.37169	12461.4607	19695.09423	25193.28904	15923.17743	18233.81412	18949.07687	16258.68244	26570.82387
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3.87_519.7698m/z	519.7697787	3.868866667	pos													3714.551334	4832.221226	4517.783097	5407.06298	4272.552231	4365.179184	5129.014452	2662.279487	3097.668538	4902.515605	4812.806014	3769.98779	6300.299045	5206.381989	3920.478153	3748.144412	6840.752187	4141.328126	6682.171485
3.87_519.9373m/z	519.9373246	3.868866667	pos													2170.762505	1491.746554	1797.264946	1582.757235	2072.603486	2015.006088	2021.057876	2440.73958	1185.956662	2443.753165	2465.304459	1477.562275	2284.986242	1464.676112	1762.404627	1819.955994	2645.864099	2368.325312	3693.371806
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3.87_622.7202m/z	622.7202188	3.868866667	pos													9420.715938	8005.438866	7879.023011	7906.767893	8066.438151	8201.391982	8884.694205	5152.952148	4000.770896	8077.842854	9464.463306	4284.648576	9004.254983	11626.53622	4924.727996	8108.330438	11553.06496	7173.222303	14042.42887
3.87_622.9208m/z	622.9208014	3.868866667	pos													10571.18106	13102.48257	13009.0413	8755.478213	11614.11403	12620.32425	12745.31943	8826.569518	7370.649676	12258.85519	14066.38027	9184.442049	10376.40164	17802.40862	9169.78688	14643.41721	17278.57975	13039.01718	21398.42999
3.87_695.3008m/z	695.3008487	3.87245	neg													1131.904429	1218.873772	791.2129326	1744.040688	1210.046429	1391.739028	1579.338457	1136.101914	1420.309364	1606.116212	1664.707013	975.3107252	922.0927933	921.2540842	1706.576167	1437.556302	1600.90847	1760.301281	1418.505778
3.87_778.1483m/z	778.148267	3.868866667	pos													720.0124427	921.2399649	1181.593918	492.670431	940.8954559	1475.392306	2675.090597	561.1467974	0.000297236	2031.765599	1528.441806	1082.045424	1668.832585	0.000297236	973.5721779	1589.797758	2744.917743	2781.773299	3202.720091
3.87_778.3987m/z	778.3986717	3.868866667	pos													2857.242408	2835.123772	2967.448121	1152.32193	706.8548419	1803.974345	3328.335293	809.6777565	1133.898311	3324.14705	2775.661574	688.1696687	2912.057836	4404.249893	2216.563033	2137.466609	2971.460079	2159.571224	3269.219841
3.87_778.6491m/z	778.6490769	3.868866667	pos													2045.207948	2226.249487	2411.414642	1507.116619	1109.78734	2748.91378	2423.763248	1484.441996	1088.049672	1538.412316	3602.849476	1415.737203	1891.36338	2856.438693	2826.332953	1862.373065	2785.530697	1264.767692	2523.513082
3.87_778.8990m/z	778.8990268	3.868866667	pos													724.9066764	1053.884634	942.6053467	587.4897399	1497.666317	1495.374289	2256.735805	501.7222576	658.2134829	2043.537569	1925.356403	0.000297236	1745.102819	2125.05655	860.0445827	951.6277854	980.1971259	1474.486991	870.5332363
3.89_1167.5743m/z	1167.574329	3.892883333	neg													2055.64748	2158.951016	2228.605148	2516.447374	2032.174041	1924.49482	1820.904867	2304.012483	1868.225892	1869.005428	2468.794049	2726.138998	1655.065819	2574.153769	2207.076874	1920.519678	1489.718072	2766.866857	2767.0483
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3.89_203.1277m/z	203.1276721	3.890083333	pos													1660.340959	1652.780585	1758.351938	1636.496689	1801.417937	1574.521882	1748.103874	2023.305673	1934.955808	1524.211686	1741.306445	2207.411261	1798.717306	1515.007415	1761.410406	1558.875794	1688.695237	1569.776724	1402.849039
3.89_216.0399m/z	216.0399432	3.892883333	neg													434.1793521	413.6474055	386.2134466	368.1423788	601.9648941	180.4111764	347.5361825	1020.000497	497.2572146	256.5011741	216.1072731	410.9278857	346.7256715	494.4760828	253.4012491	197.9502484	606.7289082	399.4680598	363.3124172
3.89_224.1855m/z	224.1854731	3.890083333	pos													4326.347177	5064.440352	4476.719465	7583.065031	6214.619934	4934.091073	6985.38308	6705.093385	6603.352962	6499.449684	7888.212351	8388.70379	7912.736526	6458.55288	8164.358024	6827.509489	6120.29339	7084.710412	6490.357606
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3.89_494.1885m/z	494.1884681	3.890083333	pos													601.0755022	590.8701494	652.6260349	700.9568613	388.5296952	341.1781982	1047.601574	0.000297236	0.000297236	694.1208101	842.2014981	0.000297236	677.0566701	1005.221079	771.9881297	465.8586434	918.7483887	473.6447377	908.5602036
3.89_500.5958m/z	500.5957598	3.890083333	pos													2559.694167	2945.081627	2864.615875	1780.263283	4759.137933	2936.604206	3816.181673	4364.367192	3695.930386	3944.283729	2142.835804	3768.151758	3861.454143	3844.251233	2954.344331	2573.579444	3666.108642	1985.655739	1944.693277
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3.89_535.4440m/z	535.4439942	3.890083333	pos													3962.740374	4937.64423	5888.550618	7738.147885	9424.009264	8273.444883	4601.342209	1035.328048	382.9240176	7716.275497	4117.693601	2029.214513	3053.061153	3958.193751	6861.976867	6304.928757	8307.51085	5535.940819	7312.242875
3.89_535.6114m/z	535.6113636	3.890083333	pos													5164.889913	5397.745184	4789.55778	6869.58317	8165.134976	6794.265216	4821.883305	703.0071217	653.3226993	5563.151501	4467.192653	2049.504871	2969.666542	3680.613709	5592.39264	5962.342595	6922.733302	4613.147467	6740.942849
3.89_535.7783m/z	535.7783262	3.890083333	pos													2844.84048	3439.040809	4194.819127	4017.482208	5194.78312	4587.644834	1527.948841	620.4814945	368.4249837	3450.28146	4082.10575	1847.889634	1521.582016	2482.324044	4023.863334	3613.777882	5056.50221	2765.480724	4293.860249
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3.89_585.2979m/z	585.2979083	3.890083333	pos													21402.35128	18585.423	18289.82248	24183.26869	22281.79495	26163.79151	17171.74198	21286.05473	20188.15431	15264.52701	23633.07071	34220.58169	18296.58593	22758.27744	26290.12595	23553.32511	24372.44102	25209.25226	23366.70424
3.89_585.5485m/z	585.548475	3.890083333	pos													9513.682891	12036.34721	8984.989929	11031.23013	9061.110331	13357.02534	7502.509793	9695.032962	11428.25082	8114.24966	9734.43069	17010.87842	9306.304724	10270.44004	10435.1012	10277.61159	12115.798	11150.48375	13188.95275
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3.89_713.8200m/z	713.8200108	3.890083333	pos													6071.062184	6440.447959	6749.910697	6601.642646	6500.645469	5228.154116	8124.162479	1800.370192	2520.149248	8938.910763	8456.269743	2576.24819	7205.887195	7811.432171	7385.170002	9251.938438	9232.73431	8594.860335	12070.37325
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3.89_733.2269m/z	733.2269082	3.890083333	pos													8425.013448	7228.727002	5926.107539	8825.242999	7322.23201	4504.394876	4605.508441	16610.13765	25396.84284	2244.472238	10144.35295	9135.382144	4066.352239	6707.283013	4533.021387	6988.317991	6963.221732	3942.268811	3501.692294
3.89_779.7264m/z	779.7263775	3.890083333	pos													4144.707085	2864.743603	3584.152908	4176.134979	3682.103712	4455.513278	2568.539718	2315.582889	3404.937871	2786.520592	2624.904816	7297.112454	1071.222201	2815.559667	3840.636425	2672.065392	4471.373349	2612.11814	4748.019804
3.89_780.0609m/z	780.060853	3.890083333	pos													3657.58912	2114.87056	2643.728282	4283.52333	2782.758644	3907.909191	2246.963861	3450.386482	2374.678577	3893.171935	2345.09875	4564.079171	2752.801634	3162.300395	3377.877921	2797.55011	2873.565258	3476.581824	4625.690247
3.89_780.3951m/z	780.3950854	3.890083333	pos													2516.102743	2493.466082	1976.291325	1357.08087	1678.312882	2142.606153	678.5508009	1913.550583	1588.125618	1270.369865	2586.584154	3308.84426	406.6219603	1280.144574	2241.833321	2078.779133	1894.928121	1842.015533	2157.797148
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3.91_233.1262n	216.1229276	3.91085	pos													10819.83461	10148.56813	10495.56146	10213.84473	14933.62622	11221.82936	8820.846228	17906.29777	13580.62997	9619.003334	8798.940087	13018.8291	9805.190753	10444.79163	10428.7375	7789.566069	9622.701443	7972.254416	11645.03722
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3.91_307.0935m/z	307.0935312	3.912883333	neg													811.710923	785.2334551	993.7967337	882.0060086	759.0865351	1430.572718	817.8541192	1066.692023	802.6412003	1020.549525	803.2741943	859.7300497	829.3199508	813.4877065	825.1709143	913.9280738	939.2609082	991.2058174	930.6015483
3.91_350.0832m/z	350.0832106	3.912883333	neg													1128.166604	1178.670603	1149.875131	763.3534712	1713.696715	1153.634216	1111.094753	2680.31427	1826.431345	824.4568606	868.2977056	1332.479994	979.3510842	1102.729895	1121.931894	794.7225672	984.7155228	653.8540399	1476.157972
3.91_375.9697m/z	375.9696703	3.912883333	neg													593.1061025	454.8263932	474.3611317	618.6822837	302.3657066	515.5949469	208.0601387	1259.433587	985.8795167	259.0604437	224.1761492	1819.596511	286.3426663	306.726679	548.8613651	394.9616615	375.1999544	658.9286062	601.0948212
3.91_400.4711m/z	400.4711081	3.91085	pos													7979.830376	8515.152913	8080.504801	9453.836082	9121.656207	8231.831314	7577.53086	6092.044336	5419.657469	6777.519355	9122.094313	7313.223471	6734.580266	8766.803584	8386.814154	7617.548457	8079.236792	9069.566738	10910.20236
3.91_400.7219m/z	400.7218935	3.91085	pos													7171.154918	7238.634201	6227.885532	7750.616068	7144.842456	6976.900358	6739.692337	4144.261033	4766.493287	5644.430991	6823.437805	6810.982064	6069.218034	6791.689089	5493.150097	7356.308801	7351.076874	7721.583554	8738.219909
3.91_400.9727m/z	400.9726853	3.91085	pos													3395.035711	2782.710657	2829.405769	3556.807044	3049.781756	3630.268513	2599.007671	1533.905486	2600.197167	2898.060915	3495.571253	2483.719799	2905.334527	3331.914634	3298.855696	2301.457204	2678.609251	2835.822252	3736.135198
3.91_414.1994m/z	414.1994391	3.912883333	neg													398.9596144	577.0664423	575.6698379	264.5698218	845.1252145	593.4558409	1291.222313	415.5045894	424.148749	836.8826186	415.8128963	127.3238008	867.2639538	445.4246411	524.3925633	260.4004832	526.2373199	143.6696526	508.2934218
3.91_418.0707m/z	418.070673	3.912883333	neg													509.6093067	671.0128052	600.5306282	479.5772448	889.2456194	500.2991151	662.5205105	1594.50358	869.9542693	415.8660545	469.1259124	691.8715731	494.726741	638.7769186	598.9159878	396.0285777	569.4040629	282.9214257	838.6244952
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3.91_531.2672m/z	531.2671671	3.912883333	neg													2936.827644	2486.65565	2398.576927	3318.163281	2542.904542	3123.915777	1951.971665	2118.554955	2043.653073	2387.376545	2703.485334	2939.556447	2847.157171	3029.004366	2863.219986	2913.163299	2844.307624	3345.369705	3385.20313
3.91_533.6260m/z	533.626012	3.91085	pos													4694.346955	3831.227777	4390.506245	4107.440716	5608.630503	4424.640796	3202.289157	2026.449324	2690.758585	3387.152591	5457.923817	3241.269353	2827.941286	5202.21298	3647.05624	4485.893952	4091.054807	4181.090702	5779.312542
3.91_533.9604m/z	533.9603689	3.91085	pos													2712.763903	2872.277962	3831.114526	3885.692765	3749.731834	4604.479111	2109.071766	2123.121829	2232.031902	2832.294371	3553.076198	2881.488011	2651.085789	3253.144837	2914.374548	2822.009287	2993.315104	4048.417872	3959.619581
3.91_544.2737m/z	544.2736915	3.912883333	neg													1929.253861	1951.242056	2208.009773	1996.741145	2296.022811	2269.87174	1957.238332	3988.654494	1470.18479	1969.81753	2076.093084	2366.819099	2781.233764	1691.943287	1578.621462	1877.896552	1484.236479	2414.79731	2185.012901
3.91_562.2943m/z	562.294317	3.91085	pos													1211.731665	1721.575986	1080.291199	1800.341371	1967.234048	1487.970962	1050.521297	1238.908835	1584.877258	863.4801088	1073.657375	1885.586934	2553.679125	608.4553415	1942.627661	1139.007215	1864.429075	2291.698396	1230.200868
3.91_578.1766m/z	578.176629	3.91085	pos													5605.847297	5327.91847	6066.64366	3231.750487	3860.887877	2724.306407	5082.062723	4401.754422	5604.122895	4804.98229	6395.013932	4563.124954	3470.078828	6341.761366	5948.353021	5239.073043	5916.003895	4605.146635	5673.217793
3.91_578.3019m/z	578.3019428	3.91085	pos													8011.821761	9616.220697	8019.215919	7036.878151	6783.371945	3887.886017	8294.563516	4761.978668	7228.496113	6645.636494	7660.056636	8358.857163	6651.403154	11103.19128	8718.23723	8777.528982	5013.971996	8624.315396	8487.465083
3.91_578.4272m/z	578.4272021	3.91085	pos													5988.374138	5082.467775	4559.092359	5416.428035	6553.860071	3779.967952	6534.845648	3402.783244	3907.353981	5100.061744	5412.533353	6052.971576	4389.732564	8902.459157	7978.503058	7524.149258	7099.4679	5922.152101	6869.585188
3.91_578.5525m/z	578.5524655	3.91085	pos													5032.926255	5777.964564	5167.980662	2744.621868	2987.330599	2611.034913	2873.367303	1729.893631	4112.059408	2949.706559	3689.039179	3368.073777	3168.018239	5114.974925	4064.272781	5028.446269	4462.134779	6263.302897	7282.122786
3.91_578.6779m/z	578.6779066	3.91085	pos													2312.057708	1888.26644	3254.464879	1429.220918	1615.123154	844.5170292	2396.581637	1887.795301	2944.653894	950.2708533	1105.34029	2539.093529	2149.534831	2356.044217	2029.443693	2058.190429	1290.745274	2357.426508	4259.102726
3.91_586.9305m/z	586.9304614	3.91085	pos													1412.070397	1513.620639	1324.589396	1322.230783	877.3984013	729.9177521	1069.25089	823.5553836	799.8197114	692.8166263	859.534307	998.3000481	727.5847222	713.067769	1812.919218	595.2891123	970.1246541	1164.939843	1877.920104
3.91_587.1817m/z	587.1817425	3.91085	pos													4777.665051	2842.132004	3386.421021	2558.871351	4165.84227	972.034866	2591.555901	3093.728908	2033.004179	4698.567204	2879.326172	2119.344869	2760.327943	3840.818227	4038.280261	3064.182994	4202.194803	5967.399388	6085.775921
3.91_594.3082m/z	594.3082118	3.91085	pos													48403.09736	57639.64319	47954.67389	39968.46455	45193.63436	35326.61217	56628.77026	57488.07312	58312.84949	42684.72945	60716.29723	71182.41245	49350.92512	58729.06041	44924.84323	45275.00133	54718.06827	44677.81491	47195.50242
3.91_594.8104m/z	594.8103877	3.91085	pos													6081.353712	5311.02585	3983.697388	4516.005167	4867.866876	2585.064279	6276.795663	4139.878711	5281.61923	4153.901017	4530.152086	7883.718718	5746.452133	4738.936861	4925.14525	5903.931165	4883.662145	4413.068261	5591.503998
3.91_608.6892m/z	608.6892103	3.91085	pos													1606.167441	2014.250963	1951.179112	1220.552085	1671.45976	462.335851	1332.500847	642.012781	491.2021921	1310.075615	1030.332965	0.000297236	1178.072022	2017.500246	929.5129539	1379.788104	1260.412716	2328.349819	2388.576328
3.91_610.6899m/z	610.6898739	3.91085	pos													1913.451299	1624.364547	1665.380666	1421.264745	0.000297236	850.8322049	979.5530326	2066.472588	2247.228008	1704.527536	1557.684936	2119.029207	1496.176735	2006.897443	1809.856451	1894.938989	2447.44008	2362.462547	1947.920886
3.91_611.0619n	594.0585761	3.91085	pos													8261.585667	10589.94391	8593.577461	5660.932047	7433.987357	4718.136598	6885.223717	10745.86834	12046.77943	5844.737944	11246.49796	8292.277115	8114.944862	10753.34758	6692.489526	7015.921568	6273.217386	9992.766908	11636.62662
3.91_611.4378n	594.434465	3.91085	pos													26726.27046	25807.82017	26506.58518	20075.5692	21146.14557	15589.76242	29823.91676	30750.07704	31393.10219	19518.6027	28056.13778	38344.72413	23671.48247	29925.62616	24382.00971	23770.51953	26930.77328	25168.92937	26672.51278
3.91_611.5631n	594.5597833	3.91085	pos													16317.76256	18819.56362	16890.52947	13711.49464	15668.65611	13115.42065	16247.70469	17573.86458	23627.38537	11399.73499	20219.27761	27880.02662	17687.95675	17878.71292	16048.20405	16722.69777	20722.19802	18203.03189	19026.50933
3.91_611.6886n	594.6852922	3.91085	pos													9369.678734	11291.15156	8542.177442	8954.944826	10098.36922	4922.901777	11318.52212	12065.91125	11657.86556	8377.448954	10615.5939	12504.49856	9566.540127	13122.18742	10073.42011	9503.829242	10857.91526	11881.62707	11460.3112
3.91_612.3148m/z	612.3148179	3.91085	pos													2266.250401	3072.304141	2861.204228	3108.125756	1582.767042	357.5839793	3414.767156	3224.858721	3604.851538	2712.441779	2497.839	1116.759936	1516.776781	1376.970358	585.0403249	1719.11661	2469.319368	2320.814248	1260.460811
3.91_615.6921m/z	615.6920794	3.91085	pos													657.3900471	862.7785153	1018.335312	1103.502165	1572.995203	246.4054996	1059.978406	3430.332463	857.2268923	1727.173434	1221.001418	1685.860059	1900.241036	1120.927186	2641.569924	1172.208737	2720.590873	842.4915381	1876.719158
3.91_615.8171m/z	615.8171182	3.91085	pos													1417.741466	2125.681704	2541.820132	2223.953388	1900.025627	2841.02144	2465.333538	2184.184022	2599.100215	1338.467192	3218.331418	5060.655039	3170.621349	2792.272062	1861.494433	2196.648667	1282.34112	1904.615853	2172.224957
3.91_617.8193m/z	617.8192905	3.91085	pos													2033.015776	2854.406043	3308.91618	3594.793499	1654.978516	1389.406242	4082.642657	4570.658095	2517.72201	2365.581326	1172.36961	4342.366908	1256.446515	2288.490039	2514.754299	2912.845659	2331.90313	2453.66749	1789.85596
3.91_621.6942m/z	621.6941707	3.91085	pos													62909.72118	64326.58895	49935.94393	57278.79192	66147.16546	50713.2464	57001.42339	119684.5333	120818.1264	40241.06487	67319.03261	116733.6543	51928.86865	55197.95648	48529.40564	47980.30615	52509.86126	34566.4584	34086.78529
3.91_621.9446m/z	621.9446062	3.91085	pos													13726.19235	11969.77904	12205.55096	11435.3887	15953.34645	11614.69168	15809.52958	29705.18808	29514.27567	12281.57534	16072.17389	31955.55703	11855.57656	16666.80734	9863.061669	13104.30486	14342.61336	8703.118283	7285.897497
3.91_627.9946m/z	627.9946078	3.91085	pos													5352.510742	4817.538632	2905.25667	4064.778271	4679.09385	5517.131043	2303.730464	7866.883292	8871.203039	3387.372059	4862.305961	4468.45614	836.4457408	3057.241075	1262.813607	3864.501279	1787.189389	5677.912672	2476.114649
3.91_628.4961m/z	628.4961406	3.91085	pos													750.1558511	822.8718269	762.2724533	503.6870319	709.0883374	651.0679358	461.6328418	1516.275334	2178.138108	661.4378221	623.9984537	1535.272976	0.000297236	1134.94125	807.1277469	240.3116211	432.8384917	759.205689	0.000297236
3.91_636.6973n	637.698535	3.91085	pos													6138.790769	7394.845654	6925.505285	4283.462653	5665.802068	5624.335656	5239.733386	8888.968083	8782.977538	4203.298367	5009.76292	12935.47989	4855.785234	4233.348242	3805.871754	6261.985056	5248.079219	6561.643564	3475.378757
3.91_637.9486m/z	637.9486322	3.91085	pos													6155.230661	6039.214355	7541.219849	5438.4408	4660.527654	5592.292337	5587.069632	14268.70288	14300.68188	4636.272971	5931.662021	14148.67747	5889.887728	5273.393702	5684.708586	4443.034015	4071.186585	6347.683927	3105.667113
3.91_638.0741m/z	638.0741255	3.91085	pos													4129.635156	5920.508012	3890.653839	4032.074883	4021.404892	3611.030863	4553.283946	8511.185145	9781.996576	4922.308492	4106.347636	7545.327206	4621.300239	3343.035776	4165.589163	6610.262902	3777.185738	5352.475082	2201.30471
3.91_641.4492m/z	641.4491685	3.91085	pos													3034.178278	1634.201045	2397.126177	2152.476144	697.7858359	723.7548272	1741.346255	4853.101724	6679.817892	1817.315283	2404.627252	7572.989441	1115.783391	1574.22215	1300.093438	1501.080586	357.1657307	1690.149972	800.82651
3.91_641.5746m/z	641.5746231	3.91085	pos													5807.407345	4569.658718	3667.858948	2008.492097	4713.246462	2543.408233	1144.826408	11564.10079	5689.002326	1469.87682	3562.764166	5205.958311	2006.250466	3323.28252	1279.168713	3660.10527	1784.575878	1910.615145	1917.598377
3.91_641.7001m/z	641.7001406	3.91085	pos													3307.617918	3799.092479	2317.95129	2333.798811	2968.565106	814.6969744	4101.039963	8482.088371	9312.38725	1730.07433	3420.178766	8003.009499	2060.961434	2681.545018	2519.021248	2949.049646	1528.411326	2349.079266	1798.266931
3.91_641.9511m/z	641.9511429	3.91085	pos													1400.332111	1548.168206	932.8440399	1446.300179	1797.175244	1630.692253	1216.858273	3276.405843	3216.159402	396.6177481	1454.230701	4254.587676	0.000297236	1769.838428	835.1208056	849.877235	765.3788648	0.000297236	0.000297236
3.91_642.3329m/z	642.3328858	3.91085	pos													7373.31422	6599.251873	4821.882477	10699.83834	11057.971	11117.28141	6945.856334	10348.49108	5502.908822	7000.290124	6020.778546	8134.255519	6573.291748	4930.017045	5260.25569	5912.263807	7404.304784	4986.81609	8467.641022
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3.91_678.0622n	679.0662855	3.91085	pos													59775.66872	61419.98603	51556.40109	50467.75285	48060.61084	36420.68553	61851.40617	55483.04552	59425.3618	49095.13335	58090.32741	72007.34291	56363.20959	68930.81257	52953.00665	61639.72458	60428.47362	57972.77498	65239.11154
3.91_678.9233m/z	678.9232778	3.91085	pos													37161.97596	41284.54215	33558.87755	28658.98771	33880.78589	24866.17493	39461.99669	43689.39771	41504.06052	33679.23499	42756.98064	50045.77423	35093.41828	44598.58926	38697.99869	33119.57265	40007.21535	39060.91958	40836.93633
3.91_679.2091m/z	679.2091406	3.91085	pos													47697.17669	49928.18162	43992.08136	36060.19096	37328.66444	26837.80746	50386.47035	41938.6449	47868.05963	38510.67195	45074.49761	36972.12244	41872.99487	53190.17339	41539.21954	42459.29585	50851.61084	48225.23785	47774.00521
3.91_679.3528m/z	679.3527829	3.91085	pos													33950.83887	30810.63872	29958.85834	24518.7089	25811.53541	19995.23582	36387.77105	35284.04061	38653.78467	29577.1924	37321.35969	23333.39051	30587.64896	31452.94909	28158.35303	31791.51491	31953.60481	33315.66537	32762.61421
3.91_717.3486m/z	717.3485907	3.91085	pos													5150.6988	4821.813076	4295.005096	2433.008122	3468.370704	3263.13537	3775.387093	6542.472679	6920.647789	3917.408791	5922.24151	5553.183611	4610.839483	3662.665897	386.6721037	3716.639743	5102.93473	2313.194311	700.180165
3.91_717.7794m/z	717.779358	3.91085	pos													11077.37234	9358.739521	9655.248993	8449.646105	8796.472827	8052.971716	7450.118107	20744.796	19310.98611	6461.25357	9149.023989	9489.962735	9799.306536	7089.687035	8409.683293	7372.123952	10244.04872	8042.959872	3926.974259
3.91_770.3974m/z	770.3973975	3.91085	pos													3478.600648	2989.903884	2790.128557	1399.691507	3031.324272	2911.292803	2166.844242	2509.50975	1571.42904	4341.314218	2875.554123	1389.458226	4357.616633	5649.900825	2598.472459	3744.846393	2680.586137	3972.573173	5459.503232
3.91_770.7332m/z	770.7331916	3.91085	pos													10909.2736	9967.982975	11924.25516	7464.60926	8453.631263	6500.486765	11466.80257	7343.584472	10935.8423	12779.73394	11188.60817	11159.2348	9413.069431	16725.43281	11479.18913	15727.09975	15678.11042	13675.86734	17507.11153
3.91_770.9001m/z	770.9001181	3.91085	pos													10764.78691	10192.8598	9666.103928	9130.747863	7509.577238	5324.262118	10975.85021	6168.89106	7701.897808	10178.6612	9889.593966	9927.902276	9951.654669	12187.39255	10708.73945	13546.33898	14167.20651	11444.02408	15654.13506
3.91_771.0667m/z	771.0667461	3.91085	pos													10915.94837	6731.086068	8061.593658	4409.592655	5425.915084	3222.07899	8263.849117	5182.28148	4531.295867	7448.696591	7594.286909	4195.697295	5189.850295	9685.4759	6706.542692	8908.981158	6992.883738	8824.776889	9883.809245
3.91_771.2329m/z	771.2328597	3.91085	pos													4271.483299	4067.078977	3528.48233	1815.397511	2915.55211	1356.781069	4018.107675	1085.668307	1878.421201	2706.908102	2873.612475	4465.921434	2993.895349	3930.800596	3929.233886	3877.438777	4286.958084	5002.676361	3904.270634
3.91_771.4018m/z	771.4018139	3.91085	pos													1358.542878	805.8727211	985.0935364	917.6762907	1683.432789	2269.8347	747.5122795	1992.07793	1790.434913	1574.101116	958.2930342	2126.511294	1764.471185	2771.175411	1934.720698	3362.247311	2041.757658	2019.955505	956.9124855
3.91_791.9089m/z	791.9089273	3.91085	pos													34113.35434	34684.06685	33859.79689	27082.99002	34859.5923	23784.08191	33938.34251	35532.35179	34045.51205	35625.82488	42055.78976	47731.55415	30977.14505	43701.88398	36704.08164	36115.05363	35800.64705	38097.61235	38264.3218
3.91_792.0759m/z	792.0759321	3.91085	pos													42191.99155	45024.53728	34410.48402	35157.60631	34305.42027	29796.84824	47912.58661	36769.38335	51548.23164	37102.51995	42972.43167	56901.93968	37908.68733	55261.93536	41539.93636	46269.76134	41831.67157	46024.47437	46739.54822
3.91_792.2430m/z	792.2429883	3.91085	pos													36627.70222	40972.12311	36606.27806	26417.31466	35405.50655	25027.12977	39861.59794	43293.87428	43711.41771	34677.9601	39328.64387	48303.56677	37453.36648	54004.67735	41103.0002	37145.2591	38080.99718	43688.70167	45577.57387
3.91_792.4101m/z	792.410075	3.91085	pos													28234.38152	26312.74537	24551.0808	21476.46497	26859.81505	18436.12778	31439.53917	31832.82048	36162.10356	26325.6072	29765.56056	34001.43	23828.28091	32140.30912	28178.02774	31784.99885	25554.41129	26089.7477	33255.11959
3.91_792.7436m/z	792.7435528	3.91085	pos													8570.215901	5854.174913	8652.9708	4344.680786	7859.337085	6386.065878	8733.482925	9391.479305	7669.079441	6830.68791	7022.219033	10246.91535	5559.088308	11427.60553	8842.151398	10186.36376	8489.972253	9617.263735	10075.83128
3.91_797.9211m/z	797.9211491	3.912883333	neg													1086.218307	1735.11079	1602.401031	1970.481528	1620.891657	1419.353777	1367.006237	1236.009011	1096.343599	1782.181623	1343.274594	1733.554535	1459.96964	1775.736567	1144.3135	2101.333157	1083.98605	1845.291823	2556.125636
3.91_809.9089n	827.9213324	3.91085	pos													212540.8977	209790.4624	200422.0389	187718.5663	231078.2935	168983.3941	203313.6497	365929.9391	377629.7445	150425.6181	211729.629	365201.9613	166447.8123	195257.3927	152787.736	173298.7073	181825.9652	131726.3295	117984.0477
3.91_810.2433n	828.2553287	3.91085	pos													248022.1769	239181.8533	247415.4742	208166.6344	256729.7897	189176.5275	249225.4617	424340.7009	435952.6424	171725.8918	230464.2795	437083.7733	215669.3485	218296.991	192935.642	199126.5275	208148.2031	160789.5597	136240.6326
3.91_815.7471m/z	815.7471358	3.91085	pos													2755.303324	1940.751192	2070.181844	1714.892213	0.000297236	1022.028269	1881.546834	1983.455697	0.000297236	513.5948008	3412.613835	1516.378822	614.3997288	1437.157766	1581.19245	1084.664008	2535.580004	869.8417308	548.0507436
3.91_816.0838m/z	816.0838116	3.91085	pos													4072.183645	4035.777381	3466.329224	5352.729631	3508.552224	3581.744806	4731.268912	2132.986982	1543.130092	3959.60339	4493.455191	3892.41028	2330.263104	4539.066292	3803.336904	2332.38612	3110.254702	4627.756498	4863.253437
3.91_820.5849m/z	820.5849169	3.91085	pos													3577.578668	3612.945937	3075.092102	3444.248322	2282.918954	4164.032959	2682.133158	6047.610474	5770.923499	3028.590344	6037.796508	5586.373608	6006.597861	3812.602495	6080.957501	2279.156604	2539.95056	2666.586955	3425.373155
3.91_820.7531m/z	820.7530558	3.91085	pos													6150.411697	4217.050256	4404.263648	5065.28769	4101.146012	2366.526529	6053.039047	6192.975493	5581.497278	3992.835813	2091.778371	3018.009033	5027.970104	3857.420393	4482.502096	4878.525063	6220.380133	3392.861067	7547.899761
3.91_825.4201m/z	825.4201468	3.91085	pos													3427.713139	2797.131803	2811.853224	2025.071477	3777.357471	1730.078415	2542.120275	2530.410064	5859.676775	1025.425463	3863.788141	4438.784278	4928.670082	4376.515863	2315.314391	0.000297236	2667.392602	2556.956994	2546.634848
3.91_830.7531n	831.7532282	3.91085	pos													5158.27355	5699.038733	3592.314423	3641.378422	1252.223948	4741.217974	3672.189395	3457.393631	7770.818072	1594.517399	2793.489828	6448.633205	2805.682767	6194.351539	3034.686361	4918.151181	1826.031639	3625.16464	1401.800586
3.91_830.9198n	831.9166635	3.91085	pos													4045.232851	4647.960049	4674.947702	3377.143477	5191.061444	1834.960203	5140.636629	10479.08443	7652.617644	3173.550024	3696.84129	5430.23802	4398.378939	2626.413686	2706.190533	4783.068033	8406.978557	4137.214978	5739.148463
3.91_831.0879n	814.0845971	3.91085	pos													4839.750495	3918.480359	4425.964671	4610.087705	2161.202765	3890.026199	4291.265429	5033.711468	6710.844956	2792.992955	2887.123362	5808.531136	1730.217949	4055.327555	3443.754608	6369.964986	4345.184046	5183.069709	2647.978674
3.91_836.0872n	837.0739578	3.91085	pos													12350.81265	13133.69376	11948.32871	9119.001881	13056.72759	8785.768599	13937.30275	22982.1248	26587.23799	10962.42007	15538.52897	21637.79105	12194.924	13571.97594	11955.80226	12092.9924	14491.14885	9242.49402	5969.113481
3.91_850.0948m/z	850.0948164	3.91085	pos													12707.61525	14286.75662	9298.543396	9556.698215	9124.704338	10796.03344	7717.410936	17312.19005	25177.59446	8676.242325	12894.05384	17069.86866	9807.055723	9010.248477	10783.35212	11283.2575	8400.740729	8035.912173	6137.038933
3.91_850.2620m/z	850.2620095	3.91085	pos													9978.752814	14903.0194	11432.46024	10236.68289	8483.788413	6785.335999	6441.166277	21602.19159	18438.82158	7997.27486	11057.90668	27986.97035	10860.36198	8067.476311	9226.586117	13600.88807	7951.948723	11191.22266	7574.333525
3.91_855.0967m/z	855.096678	3.91085	pos													8182.963437	5905.623962	5915.329301	7575.652489	6074.779644	3861.970454	2286.963232	12265.77195	15065.53571	3082.282502	5145.93608	16844.05709	5756.013341	2849.253788	2887.061336	7959.934876	3674.923893	3445.903386	3433.474414
3.93_126.0004m/z	126.0004113	3.9341	neg													625.422362	505.1144163	559.1640127	448.9360055	449.9377197	519.7924143	496.7228153	741.0702113	702.1746911	522.7269359	456.7797664	808.4755373	501.808065	437.2817721	469.0052928	411.0106407	487.3589866	576.468804	488.4001343
3.93_128.0161m/z	128.0161487	3.9341	neg													1649.549737	1793.396227	1771.687816	2168.777531	1252.604543	1404.523957	1208.975127	3656.099037	3452.294972	1008.341525	888.1050849	4782.41273	926.9806676	1052.142329	1538.537422	1386.236465	1558.160511	2223.43237	1886.861659
3.93_177.1273m/z	177.1272879	3.930916667	pos													3640.010708	3522.195328	3734.635037	4182.658084	3790.248375	3993.991616	4393.929008	4310.490084	3175.630709	3797.051452	4358.7996	4743.138554	3992.314465	3808.619882	4229.968711	4306.622012	4077.765878	4245.181829	3602.603902
3.93_196.0040m/z	196.0039596	3.9341	neg													770.6953289	868.2388808	694.1087151	796.4587482	554.064446	561.3101146	301.2097108	1242.97939	1633.465844	524.3617537	440.2336961	1990.696361	428.1789495	271.4293506	604.384666	475.0262053	580.3239049	877.4247376	677.7047088
3.93_264.1809m/z	264.1809388	3.930916667	pos													1185.198877	1401.805262	1325.227259	1199.512476	1445.834418	1490.954694	1323.997931	1404.795461	1212.325264	1289.942826	1186.065538	1089.072923	1548.734073	1609.751114	1793.740689	1457.951766	1448.230938	1599.066975	1226.51472
3.93_273.9034m/z	273.9034493	3.9341	neg													1858.633798	1929.619417	1800.876263	1806.101506	1854.947193	2142.42464	1981.958064	2300.426278	2432.715497	2221.06839	2254.589534	1734.269144	2036.496168	2175.834152	2033.247779	2115.966903	2138.71738	2205.250751	1998.163571
3.93_293.1466m/z	293.1465541	3.9341	neg													830.0830543	983.0962378	699.2189636	981.516639	605.1323507	192.2803373	228.2001403	469.7710008	514.4772242	934.3517067	187.2265802	778.3728637	56.81533038	653.6877582	1013.952835	593.9224369	615.7241158	508.8104802	205.0455445
3.93_333.0180m/z	333.0180035	3.9341	neg													2010.51396	2128.62192	2126.750985	1376.697933	2981.61218	1495.555012	922.1664312	5494.161838	4328.545043	1021.186194	1227.223335	5477.829044	1324.920527	1208.807118	1283.121897	1819.646932	1354.861164	1995.779431	1620.864451
3.93_398.2234m/z	398.2233863	3.930916667	pos													4136.158117	3688.702217	3732.558824	2732.734854	5285.553625	3227.737422	4077.767911	2819.748826	2563.068235	3845.843303	2989.51775	3036.055579	3879.593421	4979.499547	4751.861536	4596.053171	4417.462291	3055.65482	4576.814279
3.93_398.7250m/z	398.7249788	3.930916667	pos													1774.669791	1591.064127	1156.545782	1111.458894	2015.99045	1619.692735	1324.676852	997.405852	729.2788771	1280.77893	1077.975576	1011.592855	1684.432335	1530.537949	2010.060341	1701.714863	1327.118781	889.9292754	1666.943313
3.93_406.1620m/z	406.1619555	3.9341	neg													1156.443415	1436.03219	1464.110153	1791.210219	1176.011932	475.5581179	2068.638138	502.495772	777.2745369	799.7089979	2061.31835	1844.60737	2067.089387	1720.635459	1384.767471	1498.272885	1649.918922	1616.063004	1963.840234
3.93_520.5617m/z	520.5616592	3.930916667	pos													2538.767359	1972.821585	2140.760993	1890.163667	2346.210039	1848.014163	1931.683641	2582.9435	1457.439324	1849.979936	1845.46913	2925.796471	2642.5069	2238.862716	2224.501914	3021.935941	2384.618169	3274.667897	3305.058391
3.93_521.2303m/z	521.2303374	3.930916667	pos													524.9593935	624.7749398	662.9746967	949.184213	769.8718548	220.6077805	295.3702068	749.9075575	506.5657773	597.5512224	567.7246117	643.052709	509.8948612	252.4851926	781.1842961	1260.36755	485.335001	1208.848868	731.4746474
3.93_533.2799m/z	533.2799481	3.930916667	pos													7859.890696	8460.013612	7948.580048	9535.431765	9359.146454	10772.52927	7090.2512	4919.372177	5397.005247	6656.372787	8068.995372	8719.123589	7596.978135	9332.108203	9163.265919	9687.84806	10121.47721	9836.914974	10007.95763
3.93_587.4320m/z	587.4320303	3.930916667	pos													2275.72165	4006.977844	3219.021102	2508.238137	2929.484402	1486.837836	1812.602172	2052.653247	1293.795136	2410.288202	2909.317961	2346.333819	1743.242646	3899.021613	2103.391819	1535.210028	3772.07558	2315.921894	4123.807851
3.93_609.8075n	627.8279295	3.930916667	pos													7590.73818	8288.645861	7615.658105	9055.981842	8789.624075	9075.19061	6777.156343	19659.59943	14477.29795	5346.41963	8164.140509	12568.83411	2365.894469	7682.673335	5722.90407	9718.237856	10185.19066	6023.33649	6660.830402
3.93_610.4411m/z	610.4411102	3.930916667	pos													749.737743	1313.847683	1011.431542	582.8469186	1098.566817	888.8119007	924.8743505	1104.093997	343.9670189	1655.276853	671.3716499	635.3478173	1150.90069	908.9095575	463.7980079	966.6492555	1072.018884	1213.141476	952.0606192
3.93_610.5662m/z	610.5661806	3.930916667	pos													1670.545189	1457.040281	1017.056335	1473.299788	1697.727572	847.8279475	2246.115247	946.2232711	2086.322449	843.6277605	1810.093446	2266.754682	1477.437974	1315.889951	1611.177138	1424.037781	2544.48454	1526.128222	919.6107065
3.93_614.0661m/z	614.0661083	3.930916667	pos													968.742836	666.1727799	1101.869764	1246.315101	1708.902158	724.7252595	815.4007696	930.0876674	1966.735767	383.5437165	1186.775548	619.9964337	787.6978213	1716.038613	1808.320118	501.1001147	1957.10393	397.0548892	2106.043252
3.93_619.3186m/z	619.3185881	3.930916667	pos													6859.500774	7264.915101	6629.228505	4687.718964	5443.853231	2970.708413	4503.331199	8558.984849	5715.663469	4247.486177	7170.40974	5679.578197	5015.176577	6961.064483	5601.700317	5423.463563	2003.716527	3109.279759	4928.843402
3.93_620.3113n	621.3185333	3.930916667	pos													155464.8213	168390.8104	142886.3418	139205.2688	171345.7863	122662.2076	151722.3528	282911.1454	303123	112934.2861	151906.8397	274295.2733	135255.9376	140387.4484	110340.0251	122022.6326	139636.0938	92931.94428	85321.15928
3.93_621.0682m/z	621.0681701	3.930916667	pos													48538.81203	51660.14161	44850.23323	35836.30651	44142.77529	39885.62805	48218.45498	87566.06218	85323.85803	33962.56653	49121.679	83989.81685	38622.10972	34514.64265	32715.0069	35929.95457	45489.14916	28503.9374	24324.11195
3.93_621.1934m/z	621.19336	3.930916667	pos													100580.7003	102734.5156	105685.7819	88740.71472	113341.6803	93454.60133	106480.5267	191228.9208	209802.9407	75555.64175	110986.2761	202315.7063	89554.35674	93371.50251	83850.39442	78192.18579	79089.7992	62692.2501	60456.07467
3.93_621.4438m/z	621.4437518	3.930916667	pos													140105.6124	138244.5207	130207.4772	109832.0478	152383.9727	106366.0273	138813.9027	254125.8141	268404.0078	98431.89288	149539.5194	242551.568	114261.2805	115350.7137	98324.97384	105602.7384	116407.8338	87086.25952	73611.21431
3.93_621.5689m/z	621.5688938	3.930916667	pos													95250.65026	95025.88563	101537.3832	89884.43556	110229.5357	78565.58643	98802.23993	198887.6559	209066.4503	69558.73094	96727.90017	193932.7641	85412.21919	87941.60592	72215.26286	78969.75563	88316.29427	65560.71327	53158.77418
3.93_621.8193m/z	621.8193279	3.930916667	pos													32594.60561	35572.96465	31229.41386	28081.69369	38749.56853	26355.62992	32796.82968	64512.37176	68412.30674	22879.17868	34237.19084	62820.73363	30394.45595	32509.46203	21579.50993	24381.58914	21740.54973	22010.14552	19702.17141
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3.93_649.6798m/z	649.6798395	3.930916667	pos													1190.165007	1307.909022	1303.222369	1562.286075	651.4978499	423.2108287	2327.67952	942.0038931	1132.323419	0.000297236	1192.7289	1080.705912	1584.54135	1096.754083	349.0740067	1451.792516	0.000297236	375.6539501	676.5834151
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3.93_709.6482m/z	709.6482173	3.930916667	pos													117226.5063	117297.9411	124852.7898	102631.2533	135867.9756	94213.42963	111126.1647	231380.1262	212214.4211	78354.53632	105766.7571	217900.5546	100491.1342	111877.0758	82678.25866	93587.2822	103293.288	77374.60605	64334.37982
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3.93_709.9341m/z	709.9340666	3.930916667	pos													315054.1131	310883.0225	295530.0813	260165.7556	336599.053	248483.8531	292069.5644	553688.8404	579464.5941	216071.6005	298559.0498	552133.6374	258377.6539	276562.39	228023.2038	244473.4133	262407.6786	202764.2756	167216.0018
3.93_710.0772m/z	710.0772004	3.930916667	pos													287873.658	286114.9876	276495.5795	255917.7749	321723.3119	238943.7085	283037.3937	493649.2296	554568.4187	208862.4354	302747.1797	497600.0264	248137.8651	265840.0076	220786.2506	229755.7412	245181.9828	192700.6353	163997.3044
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3.93_782.7387m/z	782.7386949	3.930916667	pos													5367.806555	4831.097073	3216.737854	2266.349683	4644.841917	2209.802596	4184.636799	2563.530262	1528.317763	5005.870114	7632.709595	3202.555445	5575.730606	9421.715495	8061.201487	5655.933995	6195.767413	7255.68729	8976.285595
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3.93_827.4150n	828.4222945	3.930916667	pos													199908.1888	174039.6572	198700.9935	176787.6352	184468.1897	143959.9764	184092.1876	328639.0867	346398.8978	133356.974	185128.021	319696.8648	154115.0706	164057.7968	149577.369	156442.7181	149049.7523	129103.6303	92788.79795
3.93_827.5819n	828.5892259	3.930916667	pos													109271.3444	107364.0031	121308.3344	91396.23524	119514.1447	88779.84825	116156.6781	205103.5766	209661.9047	84704.89855	109577.2751	200163.2373	96471.63735	105530.5095	86723.53457	93872.94991	91195.01583	75838.24325	63434.98527
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3.93_853.9102n	836.9068891	3.930916667	pos													18374.75695	15821.89806	19409.65913	18699.25753	18156.90666	11197.73815	17934.08722	32472.47944	35349.13736	12117.32556	15725.15214	33230.62034	13557.35247	14055.54326	10519.36582	10471.43274	14942.66642	11038.52246	10111.41261
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3.95_503.0636m/z	503.0636472	3.952483333	pos													7332.261613	8892.888811	7713.057408	8522.51556	6792.251532	7947.604552	3855.012146	24256.63355	22424.4728	4290.418719	6346.180105	17929.97425	3300.027662	3765.013168	6090.36213	4655.962354	6154.197001	6750.23815	4946.964197
3.95_570.5543m/z	570.554303	3.952483333	pos													7987.769452	10757.32943	9461.476214	8175.818043	7997.175818	9644.979019	8162.021459	14355.09533	15007.37012	5909.689809	8183.735555	13153.06669	5967.479915	6799.641451	6820.870161	8518.068875	7763.760652	7884.475144	8522.685731
3.95_570.8050m/z	570.8049657	3.952483333	pos													10261.55312	9976.526517	10826.70813	10984.4087	10965.51275	8519.267152	10899.1721	20383.52756	15045.52901	8625.867021	8446.228485	19489.38675	6686.650018	8669.010041	8728.851783	10314.69013	11467.27529	12334.42848	9362.41047
3.95_571.0555m/z	571.0555193	3.952483333	pos													7609.248631	7563.236171	6508.951935	7440.671908	6593.251343	5277.954712	4392.742767	9509.36284	8999.033045	4048.871524	6200.199087	12992.34324	2923.451923	4980.143504	5314.841016	5010.112429	5980.157518	7684.943936	5307.078677
3.95_571.3044m/z	571.3043518	3.952483333	pos													6011.910308	4549.551929	4419.284959	5201.631926	7513.122023	5520.496181	5767.55672	8994.260412	9030.63183	3555.908124	5167.062792	8978.156876	6377.137539	7103.038959	4594.229989	4826.023312	6428.048472	5347.339245	3331.386458
3.95_574.2925m/z	574.2925384	3.952483333	pos													63455.44212	70085.8371	67417.96163	57715.02345	73461.02292	58387.32616	61089.91442	78162.55505	76449.25226	56918.06621	56697.1875	98817.56631	61763.81763	63039.00014	58745.84119	66371.21215	69153.62616	67057.21393	63385.30669
3.95_574.4932m/z	574.4931566	3.952483333	pos													90770.90646	93482.14697	86686.3842	80423.48697	98156.22394	82722.92731	78508.66207	113564.5056	100131.3343	74406.11299	74782.49249	135181.5229	80448.66309	83220.40355	82919.01357	87928.49329	98639.95265	83364.30971	90841.57015
3.95_574.6936m/z	574.6935889	3.952483333	pos													69915.80069	72050.40973	71964.34843	64378.99555	82549.04341	70568.87271	56548.65428	87720.82486	81718.82666	57912.5427	60058.22866	112716.8304	65830.53948	62619.58829	70514.77898	72045.29455	72529.0007	68559.95265	72095.73786
3.95_574.8940m/z	574.8939819	3.952483333	pos													41318.85558	45779.2605	39132.17375	39865.27755	44021.43665	37736.66441	35815.6404	52058.518	45298.13228	31788.08135	34452.89614	36474.65103	39342.86902	36751.0558	32470.70084	41394.89603	45023.99422	45200.01249	42330.51208
3.95_592.8086m/z	592.8085697	3.952483333	pos													2873.387851	3259.796935	2147.114731	3325.62919	1096.537458	973.9301151	3095.402203	3477.844206	4628.697704	825.0919665	2038.533756	5413.926869	1512.823593	1313.291379	3100.083684	1729.319016	3107.961768	1007.542725	1367.60126
3.95_592.9338m/z	592.9338386	3.952483333	pos													3375.907153	3323.343157	2341.603029	1637.673081	2336.71701	591.2680137	4678.124788	6105.457783	10931.21671	572.8888993	1709.216851	8929.356159	2738.097908	3667.573729	1928.553723	2158.153299	2617.460345	2738.928565	2318.119423
3.95_593.0591m/z	593.0590868	3.952483333	pos													2459.283536	2360.548287	3663.995605	2830.586202	1699.348481	1211.305201	3219.620098	4329.003001	8252.003589	704.5850614	2747.021055	6343.629543	2141.222834	3591.209572	1201.082382	2547.565723	1474.501912	2243.243137	1033.660579
3.95_643.5728m/z	643.5727754	3.952483333	pos													2492.114853	2064.078366	2140.701355	326.7307835	686.9200983	1913.456776	0.000297236	3764.17551	3464.312314	1515.744767	502.9924498	3066.848181	878.3237375	0.000297236	1711.147599	385.2164489	1201.67566	0.000297236	344.7732667
3.95_677.7808m/z	677.7808485	3.952483333	pos													2419.077008	4081.355729	3431.867408	2136.699193	2088.275245	1098.824299	2838.562753	4671.319718	11454.45235	0.000297236	4096.344095	2523.996728	589.7953787	1850.959665	1170.370282	2824.482824	2371.111724	1914.64124	657.8895966
3.95_717.6131m/z	717.6131075	3.952483333	pos													24978.38753	25578.55145	29224.00404	20397.35578	30271.80278	22354.12774	25235.40647	33245.91427	35328.41628	21417.96442	25493.19497	37101.37749	21530.93531	21681.85954	20897.59174	24904.78661	29929.81477	18920.9716	18777.50193
3.95_717.8641m/z	717.8641358	3.952483333	pos													22141.8619	24284.82136	24175.7442	22002.26407	24958.89445	21401.0683	21066.10223	27627.36598	25167.46206	16533.55576	18809.78651	39705.03948	22844.80619	25129.98848	21866.21797	23103.0922	26231.97976	24965.16718	21605.99901
3.95_718.1148m/z	718.1147864	3.952483333	pos													20183.64086	16666.30003	19513.07689	14121.79606	25144.49079	17634.99431	19062.19128	23817.85711	17870.75103	11548.44542	14559.62093	24837.45574	13913.98471	14928.0083	16919.9794	17783.423	16593.84056	17255.94672	18077.39387
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3.95_741.3730m/z	741.3730162	3.952483333	pos													1399.85488	1920.911188	1369.625331	2789.473945	1797.318826	2857.486142	2448.718159	2416.348771	1494.224299	1583.747081	2931.187335	0.000297236	2176.222677	1909.626603	1596.18988	1778.140679	1142.34756	2403.523054	2018.115508
3.95_741.7084m/z	741.7083576	3.952483333	pos													1561.426494	1545.35756	1757.577332	1605.134281	1108.2718	1707.893221	1617.829926	495.9832706	549.7268663	1252.851959	2201.385749	0.000297236	1093.49204	2323.064043	1631.015839	917.8430097	1630.277538	2114.666827	1886.713962
3.95_749.8391m/z	749.8390772	3.952483333	pos													3143.737072	3222.564531	2753.031635	2742.391723	3253.332821	2245.240112	4013.18881	1687.555378	1072.311286	2872.742654	4280.965844	2680.557341	3348.140267	2959.487966	3115.181472	3964.481467	4060.707259	4228.823836	3928.664178
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3.95_956.8161m/z	956.816098	3.952483333	pos													4596.287339	3710.672708	4234.816731	2439.529387	3793.778117	2004.891814	3641.603377	6080.983785	4052.239511	2564.228512	4083.991617	6163.271452	3311.527243	2391.786278	2339.098822	3745.878844	3252.376023	3043.290514	3570.884217
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3.96_747.8260m/z	747.8259567	3.9553	neg													2002.800678	2149.976891	2051.147697	1562.864285	1801.164153	1841.803002	2350.085138	451.5320571	870.3147349	2180.365146	2256.139334	1829.154245	1536.036095	1640.48263	1459.775943	2143.148961	1913.825984	3230.217228	1970.297755
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3.97_209.1302n	227.1639803	3.973566667	pos													2603.693004	2797.153235	2744.172409	2793.801799	2552.412302	2601.595633	2565.12475	2262.176405	2239.819628	2606.28276	2702.600658	3599.483701	2828.085575	2607.080696	2834.627404	2785.290371	2693.416415	2688.599724	2577.962627
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3.97_414.8904m/z	414.8903851	3.973566667	pos													2481.464338	1810.051182	1499.32145	1104.026259	1851.006529	881.6157986	1129.90015	14775.89527	4339.398895	1159.373465	1174.841532	5436.144472	1076.020078	1614.694639	1152.38509	1251.393367	1684.121046	981.3622516	1286.08603
3.97_419.0537m/z	419.0536752	3.973566667	pos													2029.804281	1749.775798	1843.231073	1596.106191	785.9399695	1665.449777	526.1567378	3450.97509	3860.301923	432.4588533	894.7174898	3533.715057	165.7227658	1125.477538	518.3776991	1216.950956	418.4826476	912.0871521	848.5162476
3.97_419.3876m/z	419.3876414	3.973566667	pos													1240.795725	1220.818767	1340.605621	936.6141332	1807.595582	1171.194093	438.2665804	3253.472627	2543.484302	542.2600967	527.7780862	3649.090168	500.5636656	831.523905	813.7918586	1039.967095	795.4842923	1296.641223	618.7361055
3.97_489.4313m/z	489.4312574	3.973566667	pos													1051.932822	1137.073539	958.9124252	580.1101561	319.3657887	1167.485767	420.2538973	342.1120921	814.6109968	853.630659	706.6567807	1717.908671	939.2875773	846.4560297	1410.500471	1141.783958	1485.999303	1510.792601	1134.613959
3.97_489.5988m/z	489.598834	3.973566667	pos													1270.421545	1630.195669	1724.271606	1155.743417	1197.554324	786.900682	895.3048907	2216.597251	849.356161	1214.351988	728.7397494	2285.103154	1262.830357	1418.989035	2413.820597	2747.137514	2284.768366	2593.811069	1406.856975
3.97_489.7657m/z	489.7656779	3.973566667	pos													1260.072574	1317.328438	756.8984985	777.0500518	968.5268851	1088.337364	420.4801168	1508.330638	715.9949237	722.624978	881.2045301	2442.851039	483.4105967	575.5274891	1638.935718	1839.193836	1428.667489	2582.631678	1104.622566
3.97_502.6629m/z	502.6628779	3.973566667	pos													8027.509001	8022.324351	8059.656293	6898.456613	6893.863565	8788.185753	3276.849281	28175.16609	24786.85721	5067.298501	8437.739109	22408.39401	3225.651976	3022.199548	4737.004436	6518.138688	6820.789045	7073.445796	5858.826569
3.97_502.8634m/z	502.8634208	3.973566667	pos													10088.30596	12840.74775	9297.849482	12059.23376	7628.311543	10947.61248	6149.00023	42796.60009	28837.70968	6081.61438	9463.454569	28105.72695	4971.132356	6216.884954	7579.374345	7402.448357	9088.577933	8621.025024	6653.529083
3.97_503.2640m/z	503.2640078	3.973566667	pos													4848.210158	3341.717049	4358.996835	4797.597664	4520.611297	3699.213321	3554.184289	13557.28458	11507.25791	2348.649618	4309.640804	10639.13316	1718.052293	2051.577313	3036.186179	3189.498881	3572.205504	3345.349921	3792.148514
3.97_537.2933m/z	537.2932591	3.973566667	pos													1445.452479	1696.525201	1353.455795	2172.9439	560.2412463	618.4080335	1352.720744	581.436643	1353.932847	652.7358871	517.9453678	2020.348386	1296.826628	1130.007774	1448.693245	2291.661031	1001.847059	1589.251876	1412.928266
3.97_628.3276m/z	628.3275641	3.973566667	pos													6920.453086	6297.504595	6226.859657	5561.696716	5656.483498	5073.814949	4259.309265	17015.10831	19022.49944	5226.620006	5693.237526	14733.15289	3512.178235	3870.0361	3642.938355	3930.94534	4104.200162	3971.186417	3578.392741
3.97_628.5778m/z	628.5778091	3.973566667	pos													3414.582189	2876.986888	2756.69037	2152.52952	2214.217416	2122.588415	1846.073548	5840.929671	6936.388282	1746.669984	1487.802414	797.6857648	988.3043367	1032.502163	786.7156256	621.7238727	1401.361865	1206.800152	948.3360616
3.97_678.7858m/z	678.7857845	3.973566667	pos													32094.60666	28554.396	26844.15746	19440.52369	28678.31498	24747.36728	24202.93513	31362.08554	35766.4011	23013.81234	25518.87642	31402.50497	29807.41927	31738.87002	21431.35716	22827.44429	24941.73394	27283.59691	34805.46101
3.97_689.2816m/z	689.2815917	3.973566667	pos													4473.475308	3058.302076	4656.639139	3906.691316	5314.741387	7085.535976	2470.025978	7021.45358	6758.797384	3637.077138	2493.008696	6408.471767	5234.807393	6414.733711	2497.381071	4045.802608	3148.086472	3197.25986	5383.48169
3.97_689.7833m/z	689.7833145	3.973566667	pos													3104.742793	3779.110562	3383.650927	2724.615452	3214.886124	3571.020509	1521.501008	4204.34662	4651.55344	2538.112213	2369.93403	3774.68213	2383.317567	3356.692318	1373.427837	1672.140996	1657.3892	1301.900945	4805.617126
3.97_784.8564m/z	784.8563591	3.973566667	pos													2495.192269	1965.313808	3095.671829	3024.955733	1953.434764	2582.74632	3750.234861	795.0286755	760.6309911	1299.952822	4850.11119	2473.760649	2312.028613	1401.60499	3275.071929	3949.105588	5379.733828	4613.950936	3133.871026
3.98_138.0547m/z	138.0546535	3.976266667	neg													1433.729867	1435.776395	1386.127363	1098.722254	2660.156726	1616.309952	1153.266538	1497.432365	1177.063602	1761.7014	1011.189302	1756.511176	790.1325493	811.8783459	1237.459107	1381.551165	1150.8747	1540.127238	1584.957685
3.98_182.0447m/z	182.0447295	3.976266667	neg													996.7268798	986.2597852	1019.991452	824.9343194	1794.209332	1165.646562	922.1732008	899.7390741	838.0842445	1147.469967	759.4383254	1127.852493	625.5350477	692.3964396	957.2958912	943.9775798	804.1801721	1101.870107	1086.710989
3.98_250.0329m/z	250.0329299	3.976266667	neg													1201.51454	1229.404568	1237.654745	1012.056795	2626.870614	1488.765338	948.8749458	1232.583993	947.7683383	1618.122874	792.3113044	1363.392346	670.5714546	689.8484333	1084.903647	1158.930592	1044.653397	1351.642918	1349.632808
3.98_320.0749m/z	320.0749255	3.976266667	neg													4881.138349	4767.453685	4809.335742	5177.254298	3634.163446	6483.448231	3509.462066	4032.962358	3209.896954	4611.546615	3236.764403	5399.55266	4867.347503	4113.919403	5489.770111	3606.431032	5061.195911	5028.293446	8267.413929
3.98_388.0627m/z	388.0626982	3.976266667	neg													2244.976697	2066.792776	2034.264353	2396.450626	1623.369094	3362.882518	1590.763643	1817.214228	1595.489715	2356.715153	1399.227333	2685.25595	2501.409289	1959.628997	2521.495335	1727.515212	2602.060144	2397.852509	3622.896899
3.98_782.8418m/z	782.8417694	3.976266667	neg													2459.548245	2865.907168	2077.412041	2964.923372	2740.446682	3037.132316	3600.119016	1215.943871	2035.863345	2775.04962	3948.411894	2169.504364	1735.33156	1835.268235	2318.801945	3034.93529	3158.520915	3324.740432	1482.158512
3.98_783.3441m/z	783.344087	3.976266667	neg													1572.57012	1354.296732	885.1062012	2037.069872	1561.603726	1171.653583	2016.304054	483.9629603	691.2975845	1265.021281	1249.795387	943.6397767	1232.53715	1084.964308	1113.379534	1846.125654	1887.143923	2105.174083	1197.463614
4.00_112.9972m/z	112.9972092	3.997416667	neg													1347.739981	1189.621113	1159.838204	1337.78087	1039.879884	707.3294842	1037.179297	1017.928543	770.3376662	1078.969815	1014.46	1080.068035	1170.904422	970.1961356	943.8435813	1229.395595	888.2979418	1026.190914	1251.941961
4.00_113.0592m/z	113.0591611	3.997416667	neg													366.4648825	355.0163533	437.8297462	315.5997702	414.0367716	373.7877845	370.5147753	504.6910241	279.2126436	351.4369174	371.2447216	308.5271061	362.9761753	353.6443141	360.8979796	337.2378229	339.4187898	349.8505549	337.9208502
4.00_1140.0069m/z	1140.006863	3.997416667	neg													2817.693458	2349.770336	2208.84433	2400.106797	3449.147224	2817.870064	4237.986066	1800.263846	911.9099842	4165.800025	3103.077933	334.0574179	4169.520806	2942.140043	1631.109569	1981.308941	3365.631418	1743.985108	1820.085101
4.00_137.0230m/z	137.0230094	3.997416667	neg													7302.361553	6941.910055	7074.260938	6255.275496	5883.223012	7289.022472	6456.352632	5619.786556	11830.65261	7052.3361	6188.20872	13048.61736	6502.03998	6707.905567	6223.617047	5809.070269	6049.994887	6295.099257	6391.796082
4.00_145.0352m/z	145.0351857	3.9952	pos													1319.837684	1350.707439	1320.113365	1337.279553	1496.818921	1330.857697	1446.563299	861.248298	665.2446307	1292.392175	1650.903672	964.7727252	1315.360974	1484.45793	1533.283739	1540.223726	1348.185497	1467.90358	1098.664671
4.00_172.0062m/z	172.0062199	3.997416667	neg													730.3906798	738.7946881	760.7496966	834.7569105	678.2751069	645.2777398	661.7763977	1384.510984	1346.039914	671.177453	583.3566763	1364.407721	547.7384416	519.9845723	569.2978632	625.5731298	726.3676738	764.3259602	767.2634398
4.00_199.0966m/z	199.0966458	3.997416667	neg													1716.34094	1499.141715	1645.762545	1423.257721	2027.808326	1835.558415	1659.447244	2077.199862	1380.602293	1561.061506	1343.315365	1533.138837	1877.959979	1950.985777	1897.75653	1793.87358	1885.589632	1824.854507	1903.334226
4.00_214.0033m/z	214.0033285	3.9952	pos													1720.223365	2898.481662	1992.265701	2862.815609	2377.195426	2281.619472	2182.650978	802.1015661	1113.700097	2080.038191	2070.809861	2242.616222	2682.88772	2030.787943	2398.634976	2450.770736	2445.027483	2100.835559	1992.894162
4.00_221.0720n	222.0792524	3.9952	pos													15223.44726	15721.3987	13999.69052	15568.90504	11812.84945	18176.41651	11933.11267	12503.56415	9645.456885	14386.4926	10203.40417	16889.09583	14196.59612	13704.30801	18789.05308	11559.51345	16689.37305	14993.3015	25778.37985
4.00_239.9944m/z	239.9943862	3.997416667	neg													555.2014903	594.8493102	494.315922	494.9633503	626.5302648	656.3563862	666.8047783	893.3418345	816.6525797	875.7462379	570.4218624	606.5200954	503.2837191	494.1314192	598.3838804	525.3908525	714.1937269	492.5289815	581.8908504
4.00_246.0157m/z	246.0157327	3.997416667	neg													60.67566925	56.92387483	64.03212357	0.000297236	197.0131332	157.8087029	0.000297236	107.9662617	28.78096949	973.150184	0.000297236	39.02771013	61.05155867	0.000297236	0.000297236	0.000297236	33.72900084	0.000297236	0.000297236
4.00_254.1960m/z	254.196039	3.9952	pos													1638.614015	2149.904873	1591.081974	2628.415325	2339.759789	2785.371455	3350.896834	2857.472791	2623.442511	2273.700635	4163.939968	3435.204001	3469.792094	2799.941207	2822.532506	2423.656412	2167.787736	2244.118759	4065.54693
4.00_356.0397m/z	356.0396587	3.997416667	neg													2858.067415	2902.435597	2841.064498	2693.031842	2242.785995	4087.049734	2446.683408	1832.020576	1844.237515	2852.420339	2168.281947	3333.523317	2735.747915	2335.271558	3074.408293	2383.176413	2816.902603	2506.950043	4527.82233
4.00_369.1777m/z	369.1777183	3.997416667	neg													317.1343659	300.9105836	187.5634918	309.1967376	233.3497729	194.539197	150.5832952	261.2050019	168.919187	177.6527414	210.8566093	437.5827883	440.5020439	437.3288266	223.0390073	271.829246	275.2708228	204.4959748	641.7977034
4.00_382.4535m/z	382.4534782	3.9952	pos													665.8149635	1211.799866	1030.480264	1325.070497	764.2309137	1922.2591	1588.230022	1488.616863	895.6143367	1686.476806	896.9892688	848.8755653	1065.826304	1558.516662	757.3632564	407.5962647	681.2792832	484.7104433	2055.133527
4.00_414.7266m/z	414.7266356	3.9952	pos													2251.523575	1895.064684	2886.273865	2283.228737	3331.486983	2920.137008	2501.84322	1782.727652	1569.18462	2942.135848	2720.795962	1438.769103	2043.159562	1896.367431	2923.924356	2041.75376	2600.583999	3626.845348	3040.463386
4.00_414.9774m/z	414.9773556	3.9952	pos													2291.203	1463.776956	1558.298533	2452.112585	1887.080517	2540.63862	1970.218948	893.4351585	1841.256501	2166.342635	2187.937963	680.6596953	1540.360935	1952.134987	2087.860621	2266.939977	1670.832413	2763.896969	2703.111873
4.00_415.4786m/z	415.478603	3.9952	pos													247.3503612	246.2561812	198.0764542	0.000297236	208.2699667	360.4454663	297.7472334	280.090696	488.5353706	691.1190411	593.1635431	331.049608	640.1983859	259.2925878	317.1771096	133.3922157	0.000297236	432.0168471	349.7955523
4.00_424.0274m/z	424.0273688	3.997416667	neg													1488.135252	1563.734056	1584.992882	1860.931362	1656.627366	2091.66528	1385.398067	1176.566445	1564.336983	1717.496744	1608.643815	1568.592094	1572.503221	1425.289552	1630.358139	1208.774005	1967.317147	1548.245421	2982.442537
4.00_424.5662m/z	424.5662131	3.9952	pos													740.7412859	921.0560572	699.2999099	1225.669727	789.3299955	1609.884861	1244.086085	430.5294031	541.6103912	893.1935784	1483.061917	237.1005231	662.218501	787.7817502	1431.817285	1252.071617	933.628255	1356.898043	1622.67181
4.00_424.9005m/z	424.900534	3.9952	pos													776.5938656	514.9062801	607.1156921	446.2836198	888.0037019	694.0878735	628.5081307	319.1980873	152.8492546	763.7395732	733.996883	0.000297236	970.3923088	115.5081721	811.0963597	817.9425511	317.7961063	666.1608062	1107.478695
4.00_462.9083m/z	462.9083159	3.9952	pos													4517.504561	4319.968558	4643.736258	5671.727254	3082.793648	4962.128695	4954.837691	5157.254892	2823.914831	4738.640067	7654.412546	4049.006289	2931.425132	3158.502557	5877.256827	5633.614769	4595.438272	6823.646034	5740.61486
4.00_463.2424m/z	463.24238	3.9952	pos													3920.676249	3529.143651	3044.727913	4505.65574	2604.149385	3303.872201	3586.712396	2759.925045	3015.446363	3422.710599	5387.071565	3531.994174	2602.904345	2151.854204	4058.587013	4135.672527	3929.901973	4075.201288	4262.849549
4.00_492.0151m/z	492.0150544	3.997416667	neg													942.0142332	701.1433006	1014.06007	815.1182126	442.37559	1201.572082	524.3267727	648.5694419	293.6583505	732.6400849	702.3924493	884.7235286	931.7896197	796.8611186	678.3163411	684.5758683	779.3506563	808.8716288	1275.48765
4.00_494.9225m/z	494.9224935	3.9952	pos													14839.27906	11275.15719	13366.23288	9315.846313	10094.99423	9095.92882	18894.29051	13190.46399	17190.75387	13055.61092	17009.09615	13593.61429	14010.35544	14448.01832	9183.058497	10764.57713	16349.46114	7144.465929	9718.875043
4.00_495.4236m/z	495.4236026	3.9952	pos													8736.044306	9653.418617	10157.58691	8854.101114	7553.914635	8426.599029	15009.34062	10365.07497	12731.41461	11000.742	13195.82552	12066.41203	10730.76298	10870.77547	7348.447299	8468.106102	10113.23689	7065.066606	8386.884107
4.00_495.5906m/z	495.5905854	3.9952	pos													2806.473767	4785.331316	3903.706331	5489.349313	3160.977419	3597.624661	7382.71555	3486.323404	3666.844125	4542.941439	6001.709136	5947.789964	5277.717222	5117.743577	3026.735219	3597.43827	5818.513769	3130.97291	5174.359388
4.00_509.6028m/z	509.60281	3.9952	pos													620.6554045	643.440452	498.1005859	788.6413321	205.505681	765.9403363	1608.69848	852.8391475	579.042317	1204.393592	914.9377225	0.000297236	853.6640273	808.0257359	400.1011667	492.9353309	816.4623429	449.9358829	617.8825062
4.00_552.6333m/z	552.6332922	3.9952	pos													1425.858493	1343.964437	1655.896599	1378.84826	1289.112338	1176.49355	715.1749463	462.9773465	897.2757391	981.8179321	1091.939883	476.9123094	931.4601086	1542.334389	598.8435604	670.5419643	1292.286924	1038.775909	2339.847539
4.00_593.7053m/z	593.7052622	3.9952	pos													29746.56452	36832.73968	30422.48466	32527.32747	26759.72814	24801.27565	43062.12186	35692.87379	35213.87998	32201.77302	40952.63199	23076.82549	37110.7815	36919.2507	19788.22106	24056.45597	34422.65893	25263.99443	27180.98097
4.00_593.9058m/z	593.9057905	3.9952	pos													47636.76743	45205.48965	40776.46961	36746.44807	36850.94218	29092.45403	58955.93679	50328.32343	55368.72536	44026.20778	61565.76296	32600.70452	51861.70585	52413.08313	25460.81868	34029.23504	46053.65895	28657.33013	41907.11601
4.00_594.1063m/z	594.1062508	3.9952	pos													35046.56361	38999.35701	32156.3528	30148.48828	37020.39191	25505.20928	47352.80506	41732.68468	41680.96779	38329.46628	48479.50106	22081.33687	45327.78991	43175.05043	25817.29582	28461.08084	37685.42004	21875.94477	34379.55104
4.00_652.8051m/z	652.8051296	3.9952	pos													1659.296546	1790.032523	1280.290054	1717.843783	1441.900737	1593.259599	1739.070496	917.0680145	1582.185433	1455.540725	526.6267193	628.44934	2950.410876	2641.857536	900.6149231	968.5624736	1472.904305	1130.328342	2788.228656
4.00_685.0236m/z	685.0236262	3.9952	pos													1844.195321	2087.135831	1663.477372	2058.778865	1660.446995	1304.378062	1874.972276	2548.704743	1631.399727	669.1098912	988.5461354	2331.996776	2335.227389	1290.77464	0.000297236	2538.413816	1534.575333	1057.854631	2390.758407
4.00_685.3576m/z	685.3576285	3.9952	pos													1567.964471	2339.855871	2059.889263	2806.502087	1990.268126	1646.405272	1761.33777	1668.865125	1822.363468	1483.49113	1048.753373	813.6180722	1481.121324	352.118563	1108.2667	656.871006	2311.780034	1129.294198	2728.200722
4.00_691.8443m/z	691.8443163	3.997416667	neg													213.3444773	306.2926575	355.0814667	735.2841342	555.1846217	465.9692939	879.366223	256.3860913	211.3443933	529.9517374	1504.242729	423.173611	1003.780743	137.6384781	365.7307057	745.5856088	704.1000547	900.155794	671.9805884
4.00_692.3461m/z	692.3460888	3.997416667	neg													717.6821918	586.6859527	562.3659136	576.2955459	0.000297236	256.1631963	618.620965	292.6766444	180.4734263	531.9951802	576.9240933	481.6692414	203.3583567	253.1298842	442.9638359	346.470424	592.050336	768.4502856	174.1057264
4.00_728.0412m/z	728.0412157	3.9952	pos													3555.866702	3798.865472	2226.452881	3265.195545	5838.601171	3323.398237	2845.369293	6680.733164	5288.286314	2669.556483	3022.620578	6235.863344	3883.788154	2349.957401	2056.123579	3940.367319	3179.821303	3485.087519	4623.660632
4.00_728.2082m/z	728.2081593	3.9952	pos													2543.102633	3757.71432	3387.435944	2870.078021	3849.404832	3240.786145	3415.641902	6105.748198	6982.909963	2391.448177	2251.582084	4716.725252	2136.147798	4024.061521	3799.635404	3620.747697	3217.184113	3324.638719	2792.783987
4.00_728.3759m/z	728.3758943	3.9952	pos													2214.575372	3105.619429	2575.179871	2880.282245	2589.516569	1811.53714	3075.55896	3813.673873	5130.608208	570.937099	1859.795522	3891.920107	2092.327777	2716.437399	2275.942511	2240.128924	2488.284547	2522.699933	2586.442958
4.00_741.8793m/z	741.8793085	3.9952	pos													8792.753204	7776.152355	8002.901636	7537.238849	5302.677469	4880.894034	10742.87932	5015.65679	7663.035272	7080.62924	10670.7458	9313.600082	7032.18078	9279.188302	7946.066044	7060.144006	9560.291781	4729.534545	7502.293882
4.00_742.3803m/z	742.3802694	3.9952	pos													8859.472682	8736.850437	11948.74069	9138.716975	9073.659843	6210.308689	12503.98787	9036.9814	11130.93379	10622.42711	11906.11277	9969.20448	10444.65829	10614.89462	7826.317116	8103.090114	8023.303409	6240.458613	10026.4941
4.00_762.3517m/z	762.35167	3.9952	pos													1139.145261	971.7083556	1620.255438	366.682167	604.0138457	1396.925104	1218.220638	1049.40425	758.8141124	1304.24628	1715.210243	1124.230335	1924.55001	2216.854253	1006.360269	1286.483246	1050.635401	1096.374235	1494.486758
4.00_909.8535m/z	909.8534968	3.997416667	neg													1408.984788	1280.775642	986.1561432	862.4616937	1117.267633	1733.878958	3200.547619	0.000297236	0.000297236	3328.794106	2606.48082	0.000297236	2073.258397	1050.232026	911.1145074	855.7792458	1511.388818	871.293201	1558.649994
4.00_910.3541m/z	910.3540722	3.997416667	neg													415.4317648	681.6185835	469.6507874	231.107819	472.7951284	1128.172664	1874.077783	0.000297236	0.000297236	1769.320178	877.5472663	0.000297236	1296.999895	1410.045073	709.5009672	445.8504038	1170.467557	492.5860177	1687.448252
4.02_1070.0084m/z	1070.008358	4.0166	pos													2585.274739	2049.013857	1626.93335	0.000297236	2646.519659	1967.193032	2129.056811	4888.590878	0.000297236	2510.075318	1208.237625	0.000297236	1277.917312	0.000297236	971.6128213	1001.493533	0.000297236	1973.6278	2399.629162
4.02_129.0543m/z	129.0542889	4.01795	neg													16305.69481	16364.28386	16534.00653	13451.33376	9326.8131	12480.99579	9273.659557	39872.64463	34756.46903	10453.81962	12133.85729	30263.6605	9942.381145	10066.64652	11357.84021	12743.80748	11936.84862	14930.10374	11876.40298
4.02_145.9895m/z	145.9894633	4.0166	pos													2073.26245	1403.70782	1519.845723	971.3762539	1043.645736	990.2992294	1009.244422	2139.545697	2997.438388	1144.352122	997.9805585	2501.550613	979.3351155	995.0741748	1068.501896	1035.698236	982.685877	885.8264359	906.0082239
4.02_198.0318m/z	198.0317627	4.01795	neg													304.696214	375.8523866	279.3019009	345.871891	336.5475458	353.2745382	263.6834872	123.5358376	113.765232	438.0408464	528.3250392	106.1903162	321.659851	320.6089901	414.4955923	435.801318	426.4090044	315.9159293	347.3568482
4.02_318.8969m/z	318.8969373	4.0166	pos													6019.507195	8423.420228	6796.113745	1.715493685	0.162608109	0.925998614	1.052381016	10891.87646	12021.26913	0.393363241	0.338193131	10362.81408	1.515823026	0.000297236	0.000297236	2.367929563	0.218656101	0.024875347	1.346369843
4.02_324.1063m/z	324.1062931	4.01795	neg													706.6322378	590.7216859	723.5073889	623.7952768	624.4124083	624.8669151	581.6028258	0.000297236	0.000297236	653.2025665	694.7575756	0.000297236	824.0887207	737.9561321	555.4817584	511.5345273	598.064097	700.4188892	900.2180577
4.02_334.9972m/z	334.9971731	4.01795	neg													9594.100849	9444.727151	9893.396673	497.5780266	203.2563394	460.6766577	721.6463656	78067.39873	78831.43905	335.9393934	541.0961179	37468.11737	456.1990187	453.0985486	431.4316596	514.4496339	470.4008567	494.8397242	581.4353236
4.02_367.8884m/z	367.8884408	4.0166	pos													1278.479562	1944.471478	1181.674796	2205.934673	1056.37203	1561.218707	1893.483796	1080.231681	1221.084721	804.6736613	1717.687634	0.000297236	2667.287743	2704.233526	1184.468836	1293.820934	1683.180281	1652.709062	2224.335158
4.02_379.9456m/z	379.9455767	4.01795	neg													525.9833274	713.217658	506.5487102	0.000297236	0.071338967	0.000297236	60.63250148	1991.489955	1935.938891	0.000297236	0.000297236	1124.970985	0.000297236	0.000297236	0.000297236	46.64061979	0.000297236	0.000297236	0.000297236
4.02_401.0053m/z	401.0052835	4.01795	neg													1215.446758	685.7452095	921.0099598	873.298202	1527.266865	699.4716305	458.3560857	3599.601334	1064.047652	314.1204648	847.4056424	2473.274213	556.3687632	605.7719891	422.3221265	978.9935322	524.3618596	1159.116757	970.104716
4.02_426.0067m/z	426.0067196	4.01795	neg													3077.820859	2968.796838	2771.249119	0.093972066	0.157761003	0.002098653	0.083868694	4904.547108	5033.598482	0.110724402	0.399869458	5815.075337	0.000297236	0.000297236	0.000297236	0.251657873	0.186234245	0.204020788	6.612342531
4.02_434.1302m/z	434.1302066	4.01795	neg													12235.17646	12996.18644	12481.87186	11708.15869	11655.04649	11971.937	12812.66389	12796.55337	13405.59089	12429.6539	13128.46896	12159.00025	12090.83971	11965.07098	11745.82399	12691.85042	12132.58489	12617.51448	12217.71952
4.02_436.8719m/z	436.8719436	4.01795	neg													675.0490519	669.9144477	830.0209473	444.1344103	440.0011071	272.7813149	620.3999707	6249.950961	6946.217897	322.3502888	302.6725017	2301.162117	188.7394161	357.5245853	261.3390613	281.3494709	420.0553567	277.6876528	376.2143306
4.02_446.7500m/z	446.7500247	4.0166	pos													2818.932964	1853.498315	2795.359818	1351.005267	3544.986668	2035.332482	2792.560478	639.9349317	553.360343	2681.382487	1689.541198	458.72106	3215.748967	3799.788291	2153.943655	1931.14225	2967.17424	1166.756614	2849.550558
4.02_490.8335m/z	490.8335291	4.01795	neg													3888.242851	3994.64158	3768.304349	160.9158975	75.27684771	78.51441159	0.000297236	4910.130051	7936.706293	0.000297236	73.64189633	6169.859567	163.192622	95.17755201	72.60120182	95.54701516	169.6748824	82.25307981	156.7323571
4.02_511.1086m/z	511.1085894	4.0166	pos													2224.942695	2393.628577	2328.283356	1744.556579	1768.812137	3199.365412	1071.648653	211.52785	1805.408542	1614.488841	1907.712648	1574.392017	1610.53091	1095.155674	2042.363985	1674.61103	2097.659126	1834.024493	1988.944106
4.02_511.2765m/z	511.2764995	4.0166	pos													1375.534446	1323.188314	1139.606529	2438.848218	2037.801057	2560.868107	2048.13911	30.60760273	857.6847524	1417.63501	1666.435466	1639.70411	2141.999194	2071.221991	1446.611047	1423.913995	1545.444436	1925.775756	2212.172365
4.02_554.1239m/z	554.1238731	4.0166	pos													2132.957581	1523.311415	1742.433659	3752.640288	2194.103678	2310.359561	1269.075739	2407.729484	3452.636248	1935.203891	2041.318756	2183.521612	238.4981672	1288.697163	1362.124203	1028.410154	1172.702945	2336.712689	337.5838596
4.02_554.2909m/z	554.290863	4.0166	pos													3974.302807	4843.202617	3433.95477	3912.312619	4160.047062	4146.843205	3132.449835	5100.076257	3594.309075	3119.666135	5385.483055	7646.495536	2064.568234	2384.138071	3735.827245	2928.358694	4701.702212	2678.793893	1861.824849
4.02_554.4584m/z	554.4583764	4.0166	pos													2777.750429	2285.457705	3359.6138	4360.212118	5039.830382	3821.505203	3397.757467	6021.507231	737.0087168	1285.350171	2562.233506	5898.920378	767.655029	1516.461949	3687.240017	2196.79609	3090.399963	1683.588176	1706.132106
4.02_584.9719m/z	584.9718639	4.0166	pos													9642.661185	8737.024933	7432.157598	6774.754045	5738.983261	4148.215133	4210.687773	50340.65155	59381.56223	4446.960189	6846.369381	21716.09109	2813.450901	3237.056584	3687.958391	3325.236552	4363.41149	4035.96356	1996.856344
4.02_585.1390m/z	585.1389725	4.0166	pos													9430.07344	7630.453851	8925.548931	6344.318355	5765.499461	4268.668127	6464.255331	38977.35298	43719.69369	4650.546539	7061.927412	21280.05917	2260.630134	2817.379329	4249.743083	3823.977465	4974.284981	4076.818249	3262.634748
4.02_585.4739m/z	585.4739174	4.0166	pos													4702.832071	5624.803432	3467.128265	3544.491489	3795.923316	3833.818845	2843.850953	14957.47855	17133.70862	2220.153593	2563.273791	9001.505454	1837.450071	2727.154169	1748.083179	3436.264506	2754.595076	3995.10328	2479.8152
4.02_666.8415m/z	666.8414887	4.0166	pos													60048.98767	64553.48724	47802.53647	44234.10144	37895.94131	42253.57842	37224.90635	123557.1137	142499.4265	28822.63049	34604.13915	117112.2261	30489.62149	37600.1891	44589.05453	40549.70645	43614.88449	44314.35199	37659.46394
4.02_667.0922m/z	667.0922018	4.0166	pos													68859.93071	78539.71207	64333.39185	48554.39558	44925.08459	54093.70685	42865.88846	142296.26	191727.252	32987.32729	42079.40583	130233.8579	36279.37716	43359.21771	48394.68441	47985.76314	49486.38767	50911.45453	46962.42111
4.02_667.3429m/z	667.3428954	4.0166	pos													45025.36048	47024.25449	44971.40649	39252.46002	36537.53929	37539.48769	31230.7186	108314.0962	119547.965	24357.05565	30579.36246	95599.67133	27034.38065	31942.97384	37484.62822	35248.11258	33911.8208	35776.45565	32867.66369
4.02_667.5934m/z	667.5934376	4.0166	pos													24111.33603	24676.80436	22728.70079	18088.32321	15120.46706	20399.40945	18947.65494	51830.43538	57451.59411	11899.51425	15794.20377	53646.49814	13921.63285	15875.86819	18217.47592	17454.1017	18219.22903	17853.43008	18211.336
4.02_694.3481m/z	694.348148	4.0166	pos													1149.025092	1644.157149	1055.777222	1086.444761	1139.433131	913.9770318	606.6710615	0.000297236	0.000297236	1672.403373	0.000297236	2360.236397	1348.292269	1443.237345	497.2802222	435.3300611	834.7095843	1071.893759	1546.444938
4.02_699.3528m/z	699.3527974	4.0166	pos													43174.06692	46170.94579	43056.64777	31001.09452	42293.92494	36936.53689	36662.34418	50074.25859	65721.46585	32715.96635	30757.81926	81403.69632	36271.46527	36900.63035	39609.69783	41306.40574	36289.51816	40407.55912	40001.4912
4.02_699.6033m/z	699.603298	4.0166	pos													33216.34809	33916.24884	30860.07599	25264.60611	27432.87564	30541.75122	23113.95844	44363.48167	53757.68206	27163.74332	23378.14821	63768.21558	27095.89024	27883.5816	27940.50003	28411.72116	25849.85341	27897.5813	25381.97003
4.02_699.8540m/z	699.8540123	4.0166	pos													23228.83984	19120.229	18875.09399	13355.17345	14956.28632	14080.59681	13526.2048	25554.26784	26168.2528	12440.1901	13224.7027	31472.45475	15408.99723	14637.6811	15870.33434	13426.91407	15836.37754	17195.50555	15250.18163
4.02_701.5637m/z	701.5637101	4.0166	pos													4221.891889	4569.174347	4430.055407	1904.464558	2080.371672	599.0199446	1252.381393	11798.65274	16709.4483	630.0353704	1908.390786	4766.635879	420.7956746	632.5349235	0.000297236	0.000297236	1559.046928	676.0845304	302.344774
4.02_769.7535m/z	769.7535462	4.0166	pos													7296.461315	12086.94624	13046.19138	6363.473548	8003.932541	3969.411912	9002.593221	17036.77638	25298.47105	7119.671899	6575.448954	22959.03046	7634.189408	5881.693295	5183.376293	9566.395726	9141.91	9507.455404	4913.272174
4.02_769.9529m/z	769.9528707	4.0166	pos													12857.89938	10442.892	11341.07552	6618.471379	6409.897545	5189.533741	7417.698088	15164.26548	18827.37773	5242.160811	5033.735567	16516.03313	6585.426809	4437.10149	8041.770983	7643.806774	5598.736802	8275.788804	3844.981366
4.02_785.1774m/z	785.1774283	4.0166	pos													7260.287371	7166.352807	6749.776239	2403.285337	3574.187712	2337.054902	3832.817639	18112.02072	13539.20872	2545.308369	4946.636091	12889.94768	3112.735063	2424.18663	4255.636107	3814.041258	1462.064775	3032.807375	2779.826477
4.02_785.3780m/z	785.3780261	4.0166	pos													7860.231841	11995.19145	8550.691955	4167.619442	3494.007072	5009.748176	4222.212218	25281.42409	16163.25195	4433.028264	6784.64947	22690.55565	5843.934985	5306.505966	8085.835335	5362.703718	4653.174016	5155.119384	4640.785714
4.02_792.9820m/z	792.9819633	4.0166	pos													13284.33153	12129.69098	8026.80412	5055.753888	5781.845378	6070.739512	9399.997305	13151.18083	51218.83804	6226.357514	7997.833457	27163.87926	4820.074743	5411.585952	8058.139663	10551.0631	7684.200784	8811.439055	5352.915066
4.02_793.1813m/z	793.1812816	4.0166	pos													13372.0363	15052.30436	12399.84109	6988.494895	9066.091275	6711.810465	8432.470751	33603.34749	36876.28536	7436.584902	8252.751577	27385.45591	8213.956066	8765.770095	7089.259901	8297.570194	9502.09384	9176.682662	4737.563521
4.02_818.3954m/z	818.3954354	4.0166	pos													7490.395514	8648.757282	6668.568053	5572.754978	3891.049593	3242.270319	4881.873324	9856.404026	22538.63409	5641.724343	7145.214004	12741.73785	5162.252109	6468.884647	4374.100727	7412.101976	5655.534749	5907.325446	5707.910308
4.02_818.6465m/z	818.646498	4.0166	pos													8531.589469	7513.634626	7933.577148	3816.246309	4110.060335	2583.679733	4000.052202	5541.017613	16207.8633	3642.462498	7010.120883	12332.44926	4878.488284	4060.767723	4686.107102	5775.555681	5519.6557	4357.039732	6234.413857
4.02_855.8079m/z	855.8079023	4.0166	pos													6236.396343	11270.61259	10893.04633	6958.969054	6029.006898	4580.308758	4870.609441	16993.1996	16287.86383	6069.293425	7747.09965	13643.7973	5723.607221	3923.930942	4736.358824	6141.998335	4944.304826	5279.554379	2597.855676
4.02_856.0083m/z	856.0083307	4.0166	pos													17512.93176	13634.14801	15577.38312	10462.83679	12389.45731	11160.82827	14147.74338	27225.54087	30607.43194	6875.496801	7987.325559	26927.67937	7133.150851	6878.592209	11279.59779	7350.481658	11438.7162	9090.24665	6758.780924
4.02_888.7855m/z	888.7854883	4.0166	pos													13510.44112	13338.15885	12958.41345	7447.362178	10390.53916	9998.064998	6245.28273	17405.56991	33790.8977	7999.229009	10852.45396	31690.84198	6900.870613	7379.830853	8472.648686	10285.27854	7504.148671	11881.68315	7318.867861
4.02_889.1205m/z	889.1204879	4.0166	pos													8106.233689	12769.34982	9429.075131	8776.718499	4972.942412	10209.47969	6158.764404	18881.65228	34766.79798	5276.773488	6391.714955	24923.34288	5812.609548	6004.502381	8573.294012	6808.632797	7916.581501	7132.327421	5967.926404
4.02_889.4549m/z	889.4548639	4.0166	pos													5686.697374	8362.69056	6562.320251	3702.515557	5163.71801	5227.073915	5410.483126	10577.07931	10196.81795	2405.192697	4729.121037	15999.55278	2748.115599	4067.061457	3383.705409	4861.8929	5932.711493	4540.758543	4768.128389
4.02_931.7995m/z	931.7994682	4.0166	pos													5181.444789	5368.591721	6048.798746	4161.7587	5152.720261	4668.102361	1728.933253	5160.507386	17767.62743	5295.805759	2577.832369	6169.001423	3367.944696	4798.446253	4372.360261	4606.293924	3664.934105	3135.706361	4608.616038
4.02_932.1340m/z	932.1340003	4.0166	pos													5335.660355	4246.971689	5028.817026	3971.157261	4920.487989	4623.640091	5048.182375	10909.77512	627.3736045	3301.546205	4920.751943	7623.143157	4591.528013	5967.771008	3124.210623	3042.681035	5619.30485	4353.973575	4075.225861
4.02_962.4407m/z	962.4406866	4.0166	pos													3085.507629	2547.229594	3201.163452	2955.63714	1988.242799	888.512365	789.2576073	0.000297236	12063.30856	823.7499764	2258.768631	7953.691315	997.0996856	640.8903647	1043.981835	2708.909083	0.000297236	0.000297236	1226.577918
4.04_1034.4941m/z	1034.494149	4.038033333	neg													47616.57531	58101.07867	46080.82145	25529.85489	30675.60452	21980.24716	32805.26378	92805.00776	133620.0358	28630.62291	41551.09639	72576.77693	26719.72532	31292.37938	19645.45775	26699.61213	28089.95733	28320.21847	31684.64527
4.04_1034.8288m/z	1034.828847	4.038033333	neg													48888.89553	53936.59206	48525.16913	29393.0774	31150.639	20405.86446	37012.33578	105495.8092	121857.4834	27272.19844	41341.99394	71971.74531	30544.8556	31783.10632	24739.51388	30991.84602	26495.89307	28169.58886	35335.70014
4.04_1035.1633m/z	1035.163283	4.038033333	neg													37422.40045	41097.639	34261.16801	21279.81257	25825.64057	16202.59655	28742.0894	90444.11712	90445.51149	22598.26952	31235.88563	57778.50849	24119.05676	24760.3019	18823.89205	22170.49631	19950.93951	21423.61659	27446.65765
4.04_1036.5070m/z	1036.507013	4.0375	pos													92814.68273	114163.0419	84730.00647	65486.33801	66332.67996	52002.78157	75224.29368	162654.0442	150609.4174	60307.66016	68191.99838	163305.1139	60077.25398	67356.17809	66045.60132	70880.1234	60685.52998	67053.70887	76479.07272
4.04_1036.8414m/z	1036.841434	4.0375	pos													105515.7987	124283.3384	103146.1769	68079.30243	72222.44194	57323.6618	77039.57357	169635.5039	213103.1813	65779.61336	85060.29077	177231.3346	63462.74091	77469.15342	77484.26989	80028.3106	67172.64803	75236.57556	81831.07156
4.04_1037.1756m/z	1037.175582	4.0375	pos													75567.79346	86743.34006	57458.39402	54909.94287	60631.10963	47233.73472	54925.32207	135976.3281	103146.8009	45006.89379	59274.67572	123065.816	43891.22492	59245.09718	51513.87104	54783.65928	45290.0978	55933.11744	55835.35769
4.04_1041.8220m/z	1041.821958	4.038033333	neg													16599.06125	21863.00636	15349.7762	10882.89785	12930.64937	6860.178318	15613.13398	37844.05959	47561.65838	10019.93124	17503.89601	29965.4544	10890.24451	12231.72971	9170.251389	11039.26969	11984.78198	12898.29867	13302.63019
4.04_1042.1560m/z	1042.155979	4.038033333	neg													18744.60035	26430.67589	18533.96445	12639.38513	15343.11816	8677.990009	15965.0775	46526.52725	57386.48125	10222.18022	18676.12866	30560.79364	13767.86018	12037.32878	10000.82205	14055.55547	13892.14047	13970.38888	15575.09492
4.04_1042.4901m/z	1042.490118	4.038033333	neg													14507.87766	14121.29532	16525.19215	7844.057604	11696.8747	8635.213243	12161.9094	36015.06665	42431.5146	8754.844714	12507.44098	25577.82083	8891.217604	10878.42402	8629.272116	10966.86389	8097.226115	9489.722859	11977.54421
4.04_1043.8342m/z	1043.834208	4.0375	pos													17710.21715	17722.83843	14164.91065	12551.02566	10897.1289	9694.675886	14003.0835	7803.795841	0.000297236	8357.419722	10825.21599	26022.18172	9887.358981	12112.83017	10117.22955	13615.07757	8195.091479	11902.79089	14476.09011
4.04_1044.1683m/z	1044.168332	4.0375	pos													11176.36557	16299.83938	14033.91328	12894.62608	14583.07082	7580.92719	13866.15234	20810.79188	20288.09987	8956.423972	13836.68776	27703.12753	9327.975706	12376.31662	10024.99977	11380.95447	12592.14461	12946.60621	13922.75404
4.04_1044.5032m/z	1044.503196	4.0375	pos													10396.73658	15353.07576	10072.45599	9308.274727	10398.69059	7329.624389	12932.00102	5399.693433	12753.90131	9350.033031	8763.949102	15157.58934	7351.43274	9514.020147	9149.808468	8359.380821	7481.751028	9043.251156	12600.48734
4.04_1049.4835m/z	1049.483539	4.038033333	neg													11576.53511	11748.68546	10906.47605	6184.434982	8432.550659	5304.425612	7778.421513	18124.85904	42146.43873	6855.588528	10208.60161	18143.00426	7421.793379	7425.332562	4411.601777	5815.613262	6472.182784	7148.794857	8453.255127
4.04_1049.8175m/z	1049.817546	4.038033333	neg													7552.094614	7100.373603	7588.613342	4785.677891	5486.355431	3688.620357	5767.692263	13103.27584	20356.01385	4906.581451	6838.548948	12915.14223	3093.762372	4901.76325	4255.388612	5728.055549	4748.414041	6424.151819	5640.33551
4.04_1050.1511m/z	1050.151097	4.038033333	neg													4658.633766	2838.367202	3648.632477	1356.707123	3280.599965	2420.339764	3427.393524	5189.783593	12106.28079	1970.584556	4232.641303	3731.960451	2451.501141	3126.488807	2269.548271	3324.63178	2112.933072	2706.424795	3237.470511
4.04_1054.4788m/z	1054.478783	4.0375	pos													2689.273124	3534.725945	3300.458496	1976.274027	1824.500817	1353.529805	2587.226725	0.000297236	0.000297236	3495.179964	1656.82129	0.000297236	1022.19441	1527.582293	2309.790424	1280.044323	2331.112172	2077.690325	4692.015826
4.04_1056.4763m/z	1056.476292	4.038033333	neg													1880.675258	2189.0426	3135.037506	2348.252825	1965.32886	1845.079729	2438.477719	0.000297236	5593.761846	2282.264237	2183.457344	3316.770779	1490.477993	1669.716961	1107.709828	1991.974517	1368.97248	1759.85842	3200.483308
4.04_1057.1448m/z	1057.14478	4.038033333	neg													3656.629064	3630.151843	2394.21936	2067.465253	2529.563378	1527.412739	2434.156009	4058.284287	8390.45541	2272.471048	3283.990609	4902.627	3363.210683	2951.055127	1163.158606	2867.477586	2980.905421	1743.215448	3652.856896
4.04_1064.8059m/z	1064.805886	4.038033333	neg													1518.654646	932.6340384	1108.157959	845.0605687	599.077408	289.7309269	1203.842292	0.000297236	2135.38993	1352.667206	1704.753642	3033.284901	0.000297236	1248.280173	391.6142579	852.8438142	1161.451737	1285.069389	658.1955112
4.04_112.9609m/z	112.96087	4.0375	pos													854.8769354	950.5500696	899.6533279	0.000297236	18.3323594	0.000297236	20.13301359	3166.659266	5544.429209	0.000297236	0.000297236	730.9249395	16.48297303	0.000297236	17.54154349	34.26951231	0.000297236	0.000297236	15.39498342
4.04_145.9325m/z	145.9325068	4.0375	pos													280127.6973	304573.7909	289893.3453	0.000297236	0.000297236	0.000297236	135.1020189	1432889.601	1724584.559	32.97829681	0.000297236	649001.0807	291.0374044	63.75051744	0.000297236	0.000297236	0.000297236	0.000297236	55.97428213
4.04_147.9293m/z	147.9293489	4.0375	pos													271294.7133	301624.1976	285490.1765	35.3535329	0.000297236	0.000297236	48.51581922	1402294.315	1686469.57	70.9343795	0.000297236	637090.9717	339.114205	89.96506417	0.000297236	0.000297236	0.000297236	0.000297236	44.84259893
4.04_152.0419n	133.0240203	4.038033333	neg													84907.69941	88802.36714	87134.08627	2719.439182	1426.396515	2403.130328	1371.103269	334156.4871	412812.0554	1518.859933	2053.118753	175573.8634	1605.245586	1245.661268	1646.871674	2251.875298	2029.675036	3123.164563	2248.997857
4.04_153.9757m/z	153.9757344	4.0375	pos													8023.79928	8719.798033	9089.34556	859.1293126	745.8963274	809.178623	782.7686178	13433.2528	13735.61082	891.6949114	568.1087869	11209.69534	830.9390797	894.1727026	965.0587357	900.9885168	921.2640556	876.3515902	833.0887455
4.04_170.0811m/z	170.081055	4.038033333	neg													455.3460639	518.8872003	426.2028122	533.6151459	332.748595	370.9814452	309.2519842	56.2225748	0.000297236	300.5536629	399.2361789	187.6621953	345.1595498	270.747142	439.5510922	378.115104	381.5645258	513.8648416	466.3811895
4.04_172.9563m/z	172.9562588	4.0375	pos													40687.69157	39477.16966	41718.62394	18857.66045	17330.671	18204.70951	17573.05787	62214.01503	65988.66386	18127.34015	19557.87492	51593.43897	17889.01727	18953.5782	20114.61728	19822.49269	18859.3826	19819.52693	17478.22831
4.04_188.9556m/z	188.9555865	4.0375	pos													6828.725251	7975.791934	6822.188909	541.212179	449.2799616	439.7945539	441.9791182	30147.98315	39413.71753	405.2505613	568.0244219	13620.62325	535.2541292	520.9892772	540.6772957	476.6595533	682.7050342	648.4940268	458.6541573
4.04_196.0942m/z	196.0941638	4.0375	pos													985.2312561	967.9730336	1069.719593	950.7326403	1324.828311	678.9970186	1115.385407	1252.085763	281.8947814	1109.595227	938.8174753	856.5585371	850.6315506	688.2580082	1285.629826	1027.364806	760.863048	771.9054383	670.2113283
4.04_204.9544m/z	204.9543683	4.038033333	neg													1405.928511	1183.643328	1298.523935	115.3009723	166.2164702	163.0147758	84.55985377	1409.868716	3335.455388	163.7140325	168.5286725	970.0031065	70.34226531	113.6507068	96.38729535	108.0717026	112.8547904	97.3502047	122.8020773
4.04_207.9377n	252.9365071	4.038033333	neg													425500.1929	443622.4652	434599.1902	105.627499	147.2640504	136.6819982	422.0036604	1621918.768	2049084.613	209.0107703	76.02143958	848321.5804	1187.572851	293.6436351	56.28260345	94.6913325	142.8381325	124.5273063	292.0579943
4.04_207.9384n	208.9457119	4.0375	pos													250910.8831	272117.3396	260180.3531	855.3008975	899.399992	903.9994243	795.6646781	1299655.682	1543261.291	1031.419372	1082.92295	605674.9427	1123.277203	1160.277413	1121.358308	1087.463886	1162.027847	1152.189886	989.5585251
4.04_209.9355n	210.9427057	4.0375	pos													83920.97198	92560.64162	87846.32504	772.1658812	709.211362	685.0730568	786.6079357	430603.4941	517496.2526	879.6584101	732.5478741	200739.0743	677.6598087	639.3273051	604.9130093	833.8785831	707.4623264	873.1112594	768.2012505
4.04_214.0326m/z	214.0325893	4.038033333	neg													678.382964	689.7102369	612.9245625	1104.525877	558.7137781	971.194686	542.3018039	1502.700377	1259.524804	740.7695152	833.2914951	1288.972301	549.3383026	540.2337298	597.7523333	950.709397	877.4296801	1114.718892	861.650869
4.04_229.9411m/z	229.9410649	4.0375	pos													5403.337915	5302.803094	5575.718338	2511.24853	2079.363126	2282.702277	2332.778765	13497.02872	15135.31961	2261.393665	2415.52553	7510.807442	2386.605063	2463.927522	2444.878564	2514.863999	2587.616549	2537.213532	1955.512314
4.04_240.9105m/z	240.9105308	4.038033333	neg													70481.88451	70711.7803	73634.65929	4240.603535	4093.009538	4612.474634	4692.980094	212194.0099	253769.8684	4691.367077	4836.114712	121966.2235	4741.861349	4592.369075	4403.995985	4670.282527	4525.391441	4872.349533	4336.738144
4.04_242.9077m/z	242.9076869	4.038033333	neg													82024.46431	85611.85196	86922.11654	28.54286552	43.27515924	0.000297236	92.79650215	262521.7251	321693.6818	9.663148128	0.000297236	148530.6003	195.2248141	39.84548214	0.000297236	0.000297236	0.000297236	18.31282478	0.000297236
4.04_244.9048m/z	244.9048	4.038033333	neg													40868.69021	41161.72969	44004.58089	0.001902276	24.7814113	33.40420585	0.000297236	128370.0842	155906.994	0.000297236	0.000297236	74252.36634	96.97386786	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000793068
4.04_250.9396m/z	250.9395681	4.038033333	neg													427624.8323	445275.2761	442613.9483	1002.585292	995.200819	1016.270646	1357.002378	1613886.493	2055560.897	1321.949225	966.6207795	860098.2781	2280.993302	1260.613809	1019.992818	1132.117982	971.1267856	1114.291386	1303.845359
4.04_267.9298m/z	267.9298022	4.038033333	neg													87697.91927	89161.33887	92770.28802	131.926921	106.9680328	130.0158122	423.3540199	190861.3829	220378.0214	130.6499024	77.28837034	128631.5543	1244.968018	381.4436402	88.3282428	39.18053069	84.43009113	196.3832563	373.8406274
4.04_269.9269m/z	269.9268657	4.038033333	neg													86598.5267	87765.88235	92842.74363	130.9517834	161.8953678	110.8125347	493.9922604	187651.8459	216518.6708	83.77073166	51.54726562	128981.494	1300.804322	310.1521974	62.94475515	68.12361545	115.5342264	128.0509689	416.7415789
4.04_271.9239m/z	271.923924	4.038033333	neg													28407.95465	29241.01788	31594.48945	612.7998137	345.8443646	568.6029545	699.9303	64040.63155	69018.25492	480.7299523	743.8880664	41769.9234	964.7434583	645.020583	601.9474388	367.353188	449.940345	466.5946629	829.2178751
4.04_273.9209m/z	273.9209325	4.038033333	neg													3269.299665	3185.952399	2822.464826	109.5761042	74.92221811	35.41681496	158.4883202	5927.05038	7814.879942	84.50780732	168.0083968	4659.855335	92.37301085	189.8385489	0.000297236	0.000297236	42.34053136	0.000297236	46.29498327
4.04_273.9511n	254.9332973	4.038033333	neg													141707.291	142345.9435	144541.2915	134.3263626	149.9099883	132.7871248	211.9084498	522936.0054	651354.4403	252.1157774	174.9489004	286900.9	557.5220292	244.2182018	163.0350227	172.8193113	224.836159	208.1754482	160.275111
4.04_292.9502m/z	292.9502326	4.038033333	neg													3009.007868	2495.27396	3199.844687	1056.002422	1148.974211	1111.400188	1077.87544	7371.045181	7100.486326	934.4058308	1339.018804	4380.947625	1159.24381	1172.277261	889.1705433	1288.59442	1266.764721	1055.731099	828.9001649
4.04_294.9656m/z	294.9656448	4.038033333	neg													11926.34661	12524.09616	13341.45224	808.9322115	896.000963	1074.715526	1182.844619	28391.78491	33422.76499	1046.678544	1180.583577	19766.45001	1059.96666	1051.922655	1094.765384	1050.635318	1177.183055	895.7619273	836.1418264
4.04_295.9365n	340.9297207	4.038033333	neg													2112.960095	2134.941272	1719.743035	49.8411721	117.3049513	63.24910512	0.000297236	1347.116796	4564.670299	72.9105227	106.7829868	468.8885024	0.000297236	52.0012666	47.97155516	62.46862008	101.9307783	100.18597	112.9049089
4.04_296.9627m/z	296.962746	4.038033333	neg													10641.74976	10773.15035	11213.82752	1.164470443	0.320002973	0.186646835	0.277522493	26921.31945	28707.48097	0.000297236	0.000297236	15942.9139	44.22473811	1.394573772	1.266480803	2.191067729	1.501737976	0.763900769	1.315258758
4.04_301.8944m/z	301.8943682	4.0375	pos													21619.09265	23688.62138	22406.11679	87.18627947	0.000297236	0.000297236	160.0188814	73420.94074	85469.6157	14.83466144	0.000297236	41018.62402	0.000297236	0.000297236	0.000297236	0.000297236	85.00771791	4.662307144	0.000297236
4.04_303.8913m/z	303.891276	4.0375	pos													26095.80271	26087.05645	25696.32514	6504.429779	5445.561737	5545.410912	5558.666496	75902.0747	79927.57112	5473.210353	6056.351342	44613.16123	5664.554782	5921.286277	6463.320558	6421.93836	6504.572698	6565.564656	5141.148568
4.04_305.8884m/z	305.8883781	4.0375	pos													6445.413056	6030.908081	7159.678634	0.000297236	3.119412583	0.000297236	70.98006324	21294.10355	24893.09191	0.000297236	0.181849795	13617.25448	0.000297236	81.03512167	0.000297236	0.000297236	0.000297236	1.43640049	0.000297236
4.04_307.8632n	306.8559385	4.038033333	neg													9167.682692	7967.519208	8364.787722	2131.975667	2139.744625	2039.149042	2209.814141	13322.41425	19072.52865	2017.16799	2329.342194	12475.06986	2112.478763	2128.009405	2283.920671	2190.263443	2033.42389	2175.61292	2048.016404
4.04_318.9269m/z	318.9269378	4.038033333	neg													15710.77282	15622.46221	17334.80984	26.84945751	0.000297236	41.7850363	27.34011413	28398.33478	34073.0275	21.51913704	43.52115946	23885.92726	339.372073	48.69839231	0.000297236	0.000297236	38.81629734	0.000297236	149.9397836
4.04_321.9288n	320.9239655	4.038033333	neg													21666.0844	19671.43497	20425.78374	1.999817766	5.425319379	1.252114656	4.268304069	38877.33499	46818.0128	1.164126879	1.602270594	30084.38781	273.113555	5.37007684	2.866964233	1.999298746	7.648401233	45.94697302	57.61308658
4.04_323.9259n	304.9080664	4.038033333	neg													5162.757536	5480.166836	5961.461241	74.75992707	32.86262158	0.000297236	74.08632225	11589.49617	14526.56651	42.83722503	195.3933939	8555.45578	40.65451795	81.98295457	168.0679644	165.8112273	167.057135	202.8155627	39.06810687
4.04_342.9209m/z	342.920904	4.0375	pos													13005.05065	13569.24636	14144.24416	0.000297236	149.0895483	0.000297236	0.000297236	42298.45057	46327.90475	215.3511947	83.87877107	26430.74997	111.1105225	115.4165528	89.85682551	0.000297236	0.000297236	0.000297236	79.59753365
4.04_347.8410m/z	347.8409527	4.038033333	neg													2292.883127	2073.617618	2275.909691	0.000297236	0.000297236	8.760966715	0.000297236	2658.399303	6496.10229	0.000297236	2.58389508	1858.000009	0.000297236	0.000297236	4.635873705	16.78383955	0.000297236	0.000297236	0.000297236
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4.04_350.8646m/z	350.8645845	4.038033333	neg													7172.923795	6045.5512	6273.696136	1078.76669	1026.651815	1265.71009	1335.218717	12330.00212	14747.49205	1331.627859	1217.070444	9790.985376	1208.164604	1170.217315	1129.90404	1288.105232	1139.345497	1124.572225	1179.338279
4.04_351.8537m/z	351.8536712	4.038033333	neg													3452.854314	2911.537787	3613.844083	42.17593222	86.092654	74.46026113	66.41511785	2235.977467	3290.418029	59.4038606	82.87213591	2643.634624	70.2623779	82.33988304	66.4201343	88.14949823	87.60424244	95.38937166	75.67587244
4.04_418.8516m/z	418.8516462	4.038033333	neg													3151.868229	3010.304606	3014.686504	386.8944693	484.349929	382.8805387	526.4437168	3120.704976	7247.717254	341.4368807	610.5188852	2329.833158	338.4036844	520.0432228	373.6069726	500.472851	539.5143669	399.1111815	501.8513651
4.04_420.8480m/z	420.8479814	4.038033333	neg													1647.304428	1840.493907	1517.746193	512.8957659	494.2722015	391.7754295	418.3206052	1185.171744	5170.769517	317.1263544	530.4939771	503.0852296	473.3525328	390.8290466	407.8298488	556.5833714	379.050326	435.5036188	525.6031584
4.04_439.9882m/z	439.9882361	4.0375	pos													3457.85345	3300.48576	3252.838913	3157.474639	3995.612144	3406.275058	3086.95412	3470.891909	1804.576972	2758.271455	3566.062062	0.000297236	2343.078879	2404.034139	1832.556595	2341.989453	2034.049608	3382.029048	3182.87335
4.04_440.2390m/z	440.2390341	4.0375	pos													2987.088895	2225.251911	2614.091305	3384.422837	3627.468166	2486.989933	2802.123259	600.5475461	1147.864314	2194.479685	3233.593581	1952.377043	2047.642285	2228.29695	1457.349192	2317.768511	2315.579024	2829.043504	2783.326501
4.04_472.8012m/z	472.8011655	4.0375	pos													6743.768899	6128.472312	5012.731995	260.7859819	344.7211579	96.45530896	54.39274998	47645.67064	51242.46461	82.14006816	205.3297849	17386.5608	302.6067387	257.9426808	137.238052	158.3004284	0.000297236	105.6056982	137.2359124
4.04_483.1781n	965.3492954	4.038033333	neg													3084.893272	3131.513071	3387.623281	4483.194581	4381.571467	3312.322489	3089.862705	12589.53091	5190.650951	3947.793594	3421.276065	7342.430244	1903.024564	2652.935627	2643.457145	3069.824298	2818.601942	3651.616133	3175.04457
4.04_486.8393m/z	486.8393425	4.038033333	neg													13022.30859	12852.12443	12610.70604	187.6239484	92.64100776	13.57101582	67.31181944	19450.81889	24337.40036	290.6746998	126.9369141	15633.44608	79.37406199	157.8886467	0.000297236	408.3705698	103.2506909	179.1073924	425.5138665
4.04_488.8363m/z	488.8363178	4.038033333	neg													12091.24549	10781.94705	12440.99761	190.0778087	96.03544224	8.820481238	161.444529	21571.28987	25857.46056	113.5413932	95.05088919	16756.80238	66.61883534	80.17981785	81.81087392	228.4123656	35.94351568	36.07178737	104.8726037
4.04_586.3152m/z	586.3151878	4.0375	pos													2009.048807	2576.256324	1769.552897	1362.128592	2764.549993	1671.052083	1537.920504	2073.203728	98.51010551	1115.358499	1342.7279	310.5001015	1535.839421	322.3652648	654.8521484	711.4121677	1577.361226	1851.166565	1465.536505
4.04_633.2917m/z	633.2917098	4.0375	pos													6454.530666	8470.760867	4941.855021	6926.73007	8332.395214	6136.786513	10751.66769	2555.719085	360.5821841	5614.137274	9708.512319	1062.646631	6789.744518	10193.94437	7401.904919	10406.27154	7860.581722	7340.792346	7715.695391
4.04_755.3642m/z	755.3642397	4.0375	pos													10358.94931	13863.11358	10291.89223	6981.337833	11436.20736	7819.934517	5573.243661	20398.331	10668.41995	6076.386469	6989.189916	14955.62381	8856.582612	7516.376757	7205.917926	5832.058059	10209.92982	8979.757013	9803.367744
4.04_758.7702m/z	758.7702481	4.0375	pos													256881.3011	310802.0875	254234.139	185973.0094	215478.0062	140201.8391	201471.8456	680340.0539	834937.611	140268.3373	193027.4663	577238.4772	154937.8156	163777.6581	173047.3715	182215.6154	182444.8893	172410.6638	114112.3639
4.04_758.9700m/z	758.9700307	4.0375	pos													304037.6334	384326.3693	314447.6273	211017.403	241060.171	179885.0528	243889.2242	787616.4081	889183.0554	161860.2149	241779.2955	690897.2298	189496.0778	198376.1472	215884.7265	237151.6421	200091.5722	206080.0861	137302.1481
4.04_759.1700m/z	759.1699741	4.0375	pos													290983.1521	318396.8232	274070.5661	186418.2074	215800.9759	164933.1666	206744.8071	664248.8841	737939.1996	156000.9397	202699.8399	540707.3575	162907.0789	180425.3442	176670.7898	201550.6029	168120.3272	185287.0379	127149.9705
4.04_759.3702m/z	759.3701648	4.0375	pos													173619.5901	214081.6684	175184.5502	123827.0209	134241.957	110210.9213	141900.1112	444882.1822	502876.1506	101742.1755	145931.3424	385357.7417	105998.8938	112013.6183	125655.4407	132322.8726	125584.6232	125676.2095	84776.43232
4.04_759.5704m/z	759.5703658	4.0375	pos													102472.1596	118328.2973	91175.22824	61743.9668	69761.03458	58405.02894	68419.88489	211850.2984	234836.1788	49649.9404	74133.18068	177909.5608	60801.38366	59307.93008	59735.01635	61109.16459	64992.44193	71426.6758	42814.17903
4.04_777.6324m/z	777.6324248	4.0375	pos													485345.3486	533754.6964	439758.3011	332658.3307	361465.4624	309429.7541	374784.9645	765350.6424	776983.6377	275942.5478	409197.8962	785176.0481	310066.0266	379036.3365	349548.6171	360952.5827	329042.5308	360342.4524	388272.7092
4.04_777.8831m/z	777.8830637	4.0375	pos													597195.414	685650.587	573689.8591	427394.554	463840.7874	383693.8948	486411.8185	996002.8972	995424.9946	372553.072	507124.9905	934178.1229	405123.2187	476261.7146	410783.7479	454048.7468	403892.2844	469856.5816	476809.9046
4.04_778.1335m/z	778.1335465	4.0375	pos													489728.3668	574162.2683	453652.8693	345386.7594	380137.8157	298833.2143	408882.3248	831621.7956	787694.1798	296304.4879	403215.7439	784879.8904	313818.4396	382145.8335	347863.9702	373495.5862	334570.3395	384013.409	400220.6553
4.04_778.3841m/z	778.3840531	4.0375	pos													297445.1766	330257.19	274030.8009	202155.1441	219377.6068	186679.0207	238071.2692	439374.2568	415239.6627	166483.5803	243778.4632	487062.7315	190182.9231	240700.3515	211238.7886	226347.8227	204174.2676	216159.0055	231914.7954
4.04_791.1116m/z	791.1116167	4.0375	pos													10032.65213	12279.06057	10040.14527	9139.428275	8283.411621	8698.300999	10229.86097	22649.16661	23528.97736	8993.156056	13706.13316	16809.64243	8457.642478	13234.18087	13064.06056	11922.25369	9420.560222	7386.838297	12481.03244
4.04_791.6126m/z	791.6126235	4.0375	pos													12702.39657	11968.905	10911.30058	9378.70471	6714.150754	5227.74278	7446.757879	5046.901869	24529.17376	4865.427178	11116.99251	16035.93528	6941.231083	10543.0331	10289.10221	9682.858887	7599.525662	8765.38119	9931.274014
4.04_810.6428m/z	810.6427728	4.0375	pos													9030.676632	13674.06603	14050.7754	9904.479592	5669.568746	6135.766004	4648.121479	5323.703291	12614.00952	4681.095173	11239.65222	23902.06065	4356.053409	8343.197332	10490.57426	10486.07011	8719.117369	13400.25489	9427.651648
4.04_810.8926m/z	810.8925647	4.0375	pos													16422.77993	20565.7912	12735.95024	11883.22755	9392.734696	7877.661557	8260.66581	27838.42152	28774.54867	8964.265275	15092.26626	16161.64461	7887.275516	10335.41383	9907.059666	16250.34658	10698.21648	11180.63405	12006.29635
4.04_811.1439m/z	811.1439092	4.0375	pos													14374.78824	13801.7781	12520.60242	10804.06471	8270.531719	9052.585511	7182.966938	13536.6211	29462.06822	9716.710478	11071.53212	22689.23214	8709.239977	8392.992437	10115.47098	11145.21768	10380.75626	11049.76669	8679.794015
4.04_811.3949m/z	811.3949343	4.0375	pos													11286.83439	8564.622026	7101.130486	5615.952672	5125.170258	3554.397647	3823.435446	7306.054969	9970.77038	4483.070625	7738.833519	6967.183552	3886.929581	6832.305046	4970.15444	7039.394324	5103.865589	7700.156863	5503.902883
4.04_947.9620m/z	947.9619743	4.0375	pos													53599.15788	62629.80712	47826.74121	30130.87642	36271.11889	24395.8217	35379.21671	162401.8746	201052.799	26315.01399	32407.48884	120219.657	25944.39824	28782.16509	26622.56758	36915.71738	31350.34245	27441.83901	13468.99901
4.04_948.2108m/z	948.2108296	4.0375	pos													203649.146	221898.4324	171551.0475	134656.0048	146368.3677	93377.04637	139999.281	472543.5688	585532.9352	101124.1128	133238.1026	411837.7994	102285.1944	106940.8108	123954.9333	134467.8611	116301.5611	119948.2617	80021.20983
4.04_948.4605m/z	948.4604599	4.0375	pos													192384.7407	222067.8594	193478.4399	144699.6662	143880.5787	100278.5041	161387.0619	522167.6578	582702.9376	110232.1978	142505.3082	410781.4508	121821.5199	120087.6844	138903.4515	144136.4235	134374.1975	131633.5244	92207.44377
4.04_948.7106m/z	948.7106409	4.0375	pos													173325.0996	193202.4231	153227.0334	113829.0081	127241.2505	91102.22517	119341.3826	334834.6795	454353.8819	90698.51815	115410.8507	304138.6967	101797.779	97168.28056	115322.8422	121597.2096	110770.9067	104719.5425	81948.12477
4.04_948.9608m/z	948.9607791	4.0375	pos													110353.0068	118606.9633	99376.76806	74737.14214	81261.0651	52637.37316	81620.00147	256833.1521	280468.7709	56658.0658	78976.95729	215836.5228	63188.51245	63240.72301	69404.77024	76262.42788	65165.06273	67010.72298	50344.00143
4.04_953.9561m/z	953.9560629	4.0375	pos													15851.55205	15314.54178	16414.79034	12439.37992	9252.710285	8842.243812	12203.78516	41697.9023	27335.90067	10115.09701	12106.30635	25713.20962	9617.290288	9649.613267	12714.71003	9721.590092	9002.776141	9999.057831	9040.167373
4.04_954.2058m/z	954.2057718	4.0375	pos													12698.25372	15447.93355	12096.16187	8558.167635	10623.97851	7787.435525	11008.01378	18635.77545	18582.35146	7133.592004	11570.64042	20150.09627	8963.831221	4932.513449	11540.79943	6962.571037	10925.81801	9697.51884	6101.842116
4.04_954.4569m/z	954.4569219	4.0375	pos													10001.69442	6763.530964	9924.335259	6008.016035	5905.986272	5215.707783	9257.349621	0.000297236	12555.74518	5744.233039	5901.107975	22249.32744	4545.24989	4254.683215	4934.530889	4657.963019	4641.387635	6680.972694	1542.182013
4.04_961.9404m/z	961.9404027	4.0375	pos													6916.975524	5941.350845	5005.951782	2324.214992	2181.763685	1703.591505	4720.008122	0.000297236	18337.9312	4025.624544	4957.391897	17657.74156	2832.440461	4578.579198	4166.586587	3018.848054	3806.401229	2416.73791	2444.389815
4.04_990.9755m/z	990.9755002	4.0375	pos													2133.501853	2989.331806	1978.484375	0.000297236	0.000297236	667.9331235	2302.759147	12300.2375	9994.061596	814.4383158	0.000297236	7021.647507	0.000297236	0.000297236	1093.654121	792.3244155	1695.508072	1802.437332	1006.727154
4.04_991.9746m/z	991.974612	4.0375	pos													2869.063029	3699.494164	3471.737183	1234.814481	2404.244814	793.8317931	1780.520457	0.000297236	6005.662403	2083.870319	2300.537337	4417.246102	1599.438556	1091.373842	0.000297236	1333.275802	735.2857036	967.7418775	0.000297236
4.06_1038.0683m/z	1038.068286	4.0574	pos													15170.11956	19855.33389	20279.29916	12621.70529	19299.09276	18978.18761	16175.59395	34149.76273	21960.00908	13781.14909	17530.32644	43067.87634	16949.19619	19208.30517	11516.84828	17694.44746	11175.67797	13793.61269	10593.00891
4.06_1038.2337m/z	1038.233685	4.0574	pos													28000.39539	26281.01006	27111.13284	14809.05174	24926.98625	20664.97068	14563.27513	60197.7239	25224.73225	17246.86145	20436.43893	45182.51612	15019.7141	13742.85852	9587.327508	19563.51527	13085.00149	15167.94536	13071.54756
4.06_1038.4020m/z	1038.40197	4.0574	pos													16974.81048	19599.46673	20377.62376	12683.52696	18650.04965	14852.09635	16590.37236	43101.09634	34194.65936	15150.5518	14757.87507	34237.93882	14556.64663	16716.68923	12558.25058	16207.6476	12003.21773	18214.61754	15047.92955
4.06_1038.7349m/z	1038.73489	4.0574	pos													14907.68218	20193.88388	15287.90308	10666.22717	15762.20693	9359.302833	12151.5913	22887.88188	37385.11845	9074.533086	13110.73642	28743.24547	13526.63279	13412.10911	9081.887238	11367.12654	11003.74308	12568.49758	12248.69995
4.06_1038.9017m/z	1038.901697	4.0574	pos													13449.38713	12934.39433	14098.71061	7518.794684	9481.0842	5494.192792	7111.601751	12244.02149	18099.53822	8580.968578	9297.517977	19073.18115	4803.393208	6197.713613	5215.471273	8845.420991	6438.617	7395.537359	4114.689213
4.06_131.9297m/z	131.9297197	4.0574	pos													2275.626551	2326.809017	2194.862861	440.7651081	437.7840921	339.7207933	421.6007109	3216.068936	4253.536529	519.740411	455.3721077	1554.56921	370.0064794	447.2722191	442.8028086	458.4559238	435.8147376	439.9096892	377.6864887
4.06_169.9993n	150.9815078	4.057716667	neg													5492.568555	6042.949172	6526.541306	3741.601135	3801.07827	3758.178975	4100.749218	28609.53423	26600.67737	3888.351771	4243.351028	15423.60829	4241.957167	3857.724101	3817.440621	4219.178414	4003.654113	4114.062048	4001.683407
4.06_181.9776m/z	181.9775621	4.0574	pos													2970.924286	2757.368321	2911.503211	3201.493194	2822.682063	3253.973761	3066.707363	2535.483237	2485.943104	3070.791608	3208.739461	2986.691974	3357.479154	3276.263539	3528.151437	3374.69031	3237.694193	3437.505207	2958.395211
4.06_190.0499m/z	190.0499008	4.057716667	neg													570.3086184	617.5092433	670.3400879	775.9909857	872.1314575	776.4544644	971.1263828	508.357831	596.9220326	720.1252797	571.2041647	996.7393548	693.0096364	725.6923628	709.1694132	659.4452791	678.325835	727.6334065	649.4463891
4.06_204.0327m/z	204.0326942	4.057716667	neg													760.7801205	671.6855069	768.1539173	865.1239478	976.1977923	951.0971707	1145.060805	811.0752236	777.8527267	737.7214205	1113.393053	617.3706255	785.3330463	813.9047031	820.2676072	875.9599659	840.7031661	1053.398268	1168.069636
4.06_237.6495m/z	237.6494657	4.0574	pos													376.0417229	290.8971249	301.6640072	267.0129802	243.5380002	137.3859103	413.4982762	0.000297236	0.000297236	292.9445065	232.1095073	0.000297236	281.9847027	200.9682807	342.3505321	173.39466	229.9058806	328.6042062	360.9661359
4.06_248.0960m/z	248.0959683	4.057716667	neg													680.3360969	913.3411548	861.9691524	504.6508084	1183.326352	843.2026792	495.1689074	1690.646261	1455.108466	761.4984665	568.2428673	1023.834758	673.2764832	537.7872383	239.3340112	268.7577271	550.079341	492.0779152	652.6704364
4.06_282.9470m/z	282.9469742	4.057716667	neg													1255.184873	1458.466352	1003.73443	73.13731681	93.05460652	90.32349284	77.99036148	608.7459758	3469.676627	86.04777378	121.3773406	169.0581018	89.60733847	96.03616602	80.11391909	94.4051611	93.86010189	98.80642527	87.73837647
4.06_309.2033m/z	309.2032754	4.0574	pos													9818.96485	10308.71771	8911.20681	9693.313776	9864.508489	9927.837061	9943.142794	9228.454037	9765.664259	9445.076581	10735.2643	10244.51391	8913.493275	9362.020275	9223.295671	10379.5443	10631.73702	10442.71471	8548.576215
4.06_326.0258m/z	326.0257793	4.057716667	neg													569.1866469	398.938692	480.4805679	476.9664112	659.5212138	599.1660247	413.3437304	621.7797936	891.0454162	412.5122252	475.214845	818.0506005	412.2980823	472.0050121	416.8392091	409.4260141	463.5362976	398.0519295	478.9768456
4.06_332.9220m/z	332.9219636	4.057716667	neg													6347.577705	5571.822484	5962.566298	6581.393163	6409.632327	6702.501639	6591.389148	7182.61936	6993.532871	6086.36287	6989.904089	6140.157058	6282.596499	5883.260721	6423.006169	6750.308423	6635.24739	6147.360803	5670.105097
4.06_347.8590m/z	347.8589565	4.057716667	neg													1104.19464	1384.302177	1144.058641	0.000297236	0.000297236	2.918167461	0.000297236	789.1955453	2689.175554	0.000297236	9.255318817	198.3908147	0.000297236	0.000297236	5.334239664	7.998325478	0.000297236	0.000297236	0.000297236
4.06_354.8587m/z	354.8586969	4.057716667	neg													1740.890656	1763.122013	1885.395723	361.829251	333.9595959	251.7794492	230.3920026	3796.119426	3368.884775	248.8025714	358.6497714	2927.717794	355.9342646	298.8097423	354.4666948	324.6741897	316.7580261	360.8401778	351.8858036
4.06_418.9209m/z	418.9209137	4.057716667	neg													6752.832976	6628.873849	7404.12454	2188.308692	2002.17123	1765.217392	1860.413767	7262.238234	9988.874873	1836.641854	2336.076451	5646.687603	2057.122322	2147.395621	1928.287911	1828.859602	1917.20963	1893.986963	2108.060525
4.06_512.5275m/z	512.5274611	4.0574	pos													978.7090027	889.3032218	1364.803246	1615.972912	1698.818026	728.5962064	1195.810303	2808.483349	1953.824656	1440.903563	1177.576973	1566.564284	0.000297236	510.8023434	1073.92794	848.0530668	1208.614179	1338.245642	1144.45928
4.06_551.9624m/z	551.9624043	4.0574	pos													887.9796254	949.6160754	516.7166443	570.1530469	622.7462427	919.8709197	599.4288812	0.000297236	0.000297236	492.2094968	541.8942026	0.000297236	1038.500091	1005.330087	321.6988427	515.9237182	279.1550277	691.9131197	480.0785568
4.06_558.2563m/z	558.2562797	4.0574	pos													7014.77973	8206.17919	7853.821182	7642.480325	9210.100358	5028.206207	5636.016696	7222.509602	8023.997921	6365.710373	4616.604209	6401.814601	5504.014893	6348.542283	10365.95315	9595.71276	5438.540494	10819.24889	7788.743324
4.06_558.5905m/z	558.5905286	4.0574	pos													7207.778374	9231.650448	6582.117554	5407.759949	6591.056323	4604.678962	4588.909629	4138.695943	4355.596012	4167.881544	4709.839845	6817.363867	4274.713197	4073.310136	6450.827993	6791.098254	4507.866918	6584.875958	5357.319051
4.06_570.4667m/z	570.4666581	4.0574	pos													6818.748304	5405.613039	4533.664169	7574.700951	6283.474977	5367.678482	5958.556663	5522.336233	6859.826568	5209.979893	7358.087317	5403.834543	1733.124813	4252.328617	5819.707371	4014.380347	6249.552659	4184.442771	4747.707164
4.06_570.6338m/z	570.6338235	4.0574	pos													6063.365104	3505.977117	6151.989395	6223.63806	4935.588804	5776.849287	5529.780197	2731.333825	955.1104001	5062.12843	6446.759506	5593.738789	1162.010681	3612.920245	5321.73353	5127.884862	5077.097826	4377.290209	4407.606457
4.06_660.2383m/z	660.2382952	4.057716667	neg													3313.955834	3390.664148	3041.947431	3865.607946	4163.105409	2566.15726	2695.585644	8946.116001	6750.888233	3154.977861	2764.370537	7664.069716	1936.02137	2346.411613	2384.16253	3582.124257	2541.21083	3405.361351	803.4334614
4.06_714.8429m/z	714.8429361	4.057716667	neg													1357.684946	1110.943465	1135.597504	1195.264706	1356.536565	1292.585793	1358.161127	1449.642047	481.9942911	851.0293516	1860.545764	1125.989471	1159.771232	1376.221719	1189.247816	1506.79262	982.2432586	1644.374735	1337.203585
4.06_716.8612m/z	716.8612043	4.0574	pos													11803.43812	11092.43196	7549.457062	7872.764634	9386.121641	5988.71702	7363.326127	3475.91593	10542.35586	6003.017823	7367.267576	6920.323076	5117.831088	5045.893443	7895.246118	10929.71188	7994.821159	8401.056073	7478.141678
4.06_717.1120m/z	717.1119935	4.0574	pos													10572.03705	14332.1756	15925.64575	11654.50636	11112.75056	12066.06578	11548.08898	12748.65439	16110.05966	10288.94173	11514.76348	17462.59878	6370.323193	8491.975172	10551.81888	13922.86358	12576.56775	13362.40306	10628.17287
4.06_717.3629m/z	717.3629491	4.0574	pos													10584.19795	14775.39036	13025.9602	9642.846637	10247.77514	10923.11878	9678.663494	11044.76479	14406.93576	9716.104687	10996.88188	12609.77554	9891.345423	9732.187281	11401.91281	11124.90817	9264.03283	12336.50375	10849.71889
4.06_736.3626m/z	736.3625511	4.0574	pos													10358.54124	8467.718303	10494.29878	6936.662118	10739.88257	4592.583113	8270.335344	13079.65301	17766.62055	8405.80299	7732.319682	4281.854266	9215.720449	5372.657556	7414.643645	4550.458291	5985.205181	8053.74318	8113.648014
4.06_749.3727m/z	749.3727271	4.0574	pos													37802.97722	38272.13244	37205.36348	28155.48324	34243.77887	29651.1111	30220.85618	47888.16102	60836.83897	29779.2502	30551.1122	54998.9942	25082.44138	24277.51023	31315.82438	30157.65544	29781.04139	34209.67186	27690.59585
4.06_749.6233m/z	749.6233176	4.0574	pos													26556.47639	31297.05982	21289.32103	21433.82914	20225.93891	21649.568	19778.43895	23985.79535	41194.22825	21369.75501	22009.90383	47335.33406	17406.86283	20111.55351	26204.53217	25258.75247	22977.60997	21970.0182	22072.33115
4.06_749.8740m/z	749.8740483	4.0574	pos													16324.79361	19036.23923	17928.68079	12453.70847	16025.26978	11864.9411	13045.49118	15684.66933	29282.89583	13930.42503	12372.19254	19398.8146	12616.08499	9487.409789	14408.89718	15257.89892	13399.36453	13106.29589	13097.31828
4.06_789.8467m/z	789.8466941	4.057716667	neg													533.06611	591.2784385	381.8968704	367.2501708	758.3479748	211.0888493	1046.393386	0.000297236	0.000297236	398.6051286	257.0304669	0.000297236	1156.798128	540.5635408	452.305156	383.5205557	813.7050649	423.0097649	762.2524115
4.06_834.8665m/z	834.8664722	4.057716667	neg													2091.377624	1468.797752	1773.76767	1387.570197	2818.088049	551.7571896	2030.92263	0.000297236	0.000297236	1250.553875	1197.832848	1533.358647	1465.502994	1918.263006	2353.899552	1297.481298	1019.632609	2688.638702	1601.887092
4.06_919.9504m/z	919.9503624	4.0574	pos													7682.289274	8118.401421	4804.607849	4914.662868	6917.186697	4346.822996	5182.050767	5753.950913	8355.761785	4785.17815	3370.045518	8379.401282	4156.489127	4837.769604	4106.277177	5485.633609	4747.28377	4486.257762	3357.142758
4.06_996.4785m/z	996.4784814	4.057716667	neg													1335.884541	1395.66188	916.4456787	1111.513079	1231.306377	1290.498872	1434.490554	5096.440373	1725.138704	1635.479744	641.8082229	993.6372769	768.4924227	546.3992677	979.7097637	308.8194098	294.0098351	917.8665531	605.5135777
4.06_996.8155m/z	996.8154871	4.057716667	neg													1612.876454	2807.512325	2414.636578	1319.300092	2199.756845	966.2575846	1490.328146	3109.178962	1795.432516	1009.234167	1179.333952	2359.449773	406.7619572	1277.184557	874.6922547	2581.273067	600.0740145	1425.796282	1405.429819
4.06_997.1481m/z	997.1480727	4.057716667	neg													969.6429735	809.8814842	649.8312988	0.000297236	1556.351338	498.2751917	842.6598086	812.9786346	2514.704486	645.7554072	547.9182564	599.3429764	818.7462298	826.1090413	820.3581266	1025.612674	371.3209301	626.4952285	521.5228476
4.06_998.8274m/z	998.8273703	4.0574	pos													3005.740901	2313.013816	1852.03772	4521.770267	5013.160335	4660.758356	3652.143689	3187.819907	9143.009841	4267.587953	4448.503195	9164.245477	3050.787484	4377.563383	3462.322145	3733.422007	5368.04934	4756.611504	1941.568958
4.08_116.9720m/z	116.9720375	4.077516667	pos													346.5809023	416.2239623	371.4415926	286.3671713	332.1552416	294.9285077	251.4277949	332.9479532	330.1425994	353.9873697	306.9563962	436.7060812	441.8369701	340.2262096	421.2737007	365.7440066	387.4740134	398.5348768	280.8740322
4.08_117.0177m/z	117.0177488	4.078183333	neg													1569.853118	1358.194981	1498.795736	1017.797732	1081.795182	1092.635739	1053.839192	3324.350082	3235.958177	1121.795891	1079.019291	2000.516601	1224.876527	1205.99912	1206.920928	1163.000224	1048.039237	1086.373335	1039.678348
4.08_158.0810m/z	158.0809808	4.078183333	neg													6791.606789	7017.515943	7241.446557	4574.598911	10096.68145	7197.86498	5092.004035	8827.190457	7940.030946	8806.119246	5868.809616	3983.517903	7664.580702	8395.751919	7896.828933	6410.657706	10708.72822	8312.666769	5504.651788
4.08_188.9970m/z	188.9969776	4.078183333	neg													480.2752415	719.9168295	618.4423122	652.676642	671.8094366	668.0593192	791.1890542	334.1811645	361.1718221	684.6336042	680.7629484	493.4494944	627.2543903	685.8224674	720.8235825	686.2731679	732.8593288	611.1778023	647.4331664
4.08_189.9994m/z	189.9993799	4.078183333	neg													140.9165919	144.9950245	186.6643734	140.9189994	192.8869945	188.1405874	355.8614923	202.5101085	328.2686363	213.7475617	229.7095898	168.8196645	206.4824981	235.5123969	141.0639485	172.8749496	186.0009873	179.6490592	124.7713297
4.08_214.0057m/z	214.0057401	4.078183333	neg													110.371801	116.7860005	103.8501575	56.29703868	328.6155471	314.6786121	129.7473799	193.6465484	0.000297236	174.5776628	45.23382256	219.7791256	166.4030969	0.000297236	227.9690989	44.93309304	171.9509802	39.72613108	66.52624327
4.08_226.0690m/z	226.0690163	4.078183333	neg													2733.176907	2684.405149	2990.767649	1580.69806	4064.613469	2798.766676	2024.387062	3606.737908	3482.17492	3470.194038	2132.899136	1355.06353	3068.150949	3130.137314	3188.973812	2521.383877	4556.795523	3309.140228	2199.014358
4.08_243.0595m/z	243.0595097	4.078183333	neg													382.0113536	329.8302847	393.8686889	310.7026725	730.7666835	396.2232374	306.7038452	307.8352575	261.2083561	613.4619073	354.9278703	195.3960559	501.7406467	572.6419248	520.3875995	390.2275777	733.6012823	468.5668372	411.4806227
4.08_252.1571n	275.146225	4.077516667	pos													71682.00949	74019.72003	76601.17077	25424.83218	97640.41129	62618.68003	79822.05169	104102.89	70659.34688	35392.45747	58037.03106	75953.52708	29764.81806	74471.75423	29311.25905	58923.71032	56572.31332	38721.99452	73983.80009
4.08_257.9805m/z	257.9805055	4.077516667	pos													1476.308034	1686.989063	1862.489321	1274.586062	2551.442192	2229.596016	1304.772822	2491.119639	1115.952538	1897.484827	924.7488517	2232.40729	1605.028951	1177.395361	1975.61404	1003.411001	1710.312974	1058.233754	952.2884735
4.08_262.9268m/z	262.9268157	4.078183333	neg													1018.665449	1016.299515	1083.043335	6.583910357	10.86856065	6.300130664	11.22463152	7276.431105	6096.675189	6.930736282	7.548978009	1686.871464	6.242985655	2.145920715	13.54950325	7.620434462	8.313963595	1.420429059	2.56969382
4.08_270.9102m/z	270.910239	4.078183333	neg													770.6123823	712.0071431	737.9662621	35.94808667	0.000297236	9.911946665	43.68515062	3583.955683	2380.001741	33.51566427	12.95005585	1210.653076	23.7823978	20.23005615	16.55464574	7.053486555	25.36976551	35.48808434	22.71707092
4.08_272.9072m/z	272.907234	4.078183333	neg													1243.027785	1408.298556	1634.778963	668.9235697	672.7255439	815.8245637	674.503352	5143.853675	4010.80979	764.4355651	773.354912	2333.186604	652.6378583	507.8057519	770.0608086	883.4672835	802.6920983	894.4502123	669.3558175
4.08_274.9043m/z	274.9042824	4.078183333	neg													309.5634314	254.0057727	276.1222	0.000297236	0.000297236	17.48439749	0.000297236	1780.217671	1428.021808	0.000297236	34.19005713	599.0528697	0.000297236	0.000297236	0.000297236	32.57504668	18.15505999	16.7688382	0.000297236
4.08_294.0571m/z	294.0571331	4.078183333	neg													1213.861233	1387.847646	1268.582523	753.449083	2078.301231	1384.354447	889.9587559	1723.788263	1344.912416	1746.004358	1045.44895	513.5430709	1515.848839	1672.252415	1551.672044	1178.17376	2032.171248	1608.55431	993.2843541
4.08_296.9797m/z	296.9796786	4.078183333	neg													1121.211934	1091.679736	1198.693882	1461.210059	2738.426571	2503.916309	1379.237512	1493.423345	712.1672654	2360.389742	975.9253456	1305.440384	1923.46741	1288.299831	2012.19173	1060.778282	1773.921636	1054.237837	1166.471042
4.08_305.9665m/z	305.9665174	4.078183333	neg													595.5268501	735.2388825	574.3742256	652.1000177	691.4313172	400.7913225	231.6570286	1492.441758	1246.218241	381.8133432	271.5613839	1565.457697	303.3218025	260.5411553	527.9577827	477.2387163	566.1493714	633.9809598	466.948721
4.08_341.6976m/z	341.6976219	4.077516667	pos													2293.717879	2075.131415	2409.242163	2729.629732	1813.380287	2120.796735	2121.334173	1619.926207	1922.434372	2080.960454	2366.74278	1848.659472	2214.800506	2179.662598	2825.587282	2426.72103	2400.227847	2734.182945	2345.998708
4.08_347.9770m/z	347.9769773	4.078183333	neg													4303.572325	4184.697161	3954.039286	3118.486273	6393.648935	5836.017219	3488.621794	6404.749333	4020.47538	5133.025722	2381.230429	5165.631359	4153.313218	3094.336657	4394.776669	2448.993684	4098.319989	2668.96188	2989.112832
4.08_357.9325m/z	357.9325112	4.078183333	neg													622.5836539	396.3809038	411.0526787	498.3595118	898.0162913	733.081657	474.9350323	585.8717137	240.2867706	716.7381686	325.9467529	593.541807	550.9044143	317.8157366	671.7127959	291.3947422	708.6067575	283.2201697	265.1031943
4.08_362.0443m/z	362.0443217	4.078183333	neg													923.6188374	1011.210812	808.1466675	466.1814704	1191.071143	782.2135916	467.8887355	997.2360243	1024.959305	1008.154479	630.3289015	385.2775087	808.5945462	963.2491211	938.9226533	746.841984	1230.643601	1052.270849	511.7599606
4.08_378.9181m/z	378.9180576	4.078183333	neg													4559.838227	4570.6111	4774.890296	4709.469777	4592.7606	4465.720007	4691.961841	4953.865764	4949.006297	4586.827801	4912.32252	4704.982732	4603.457056	4436.281434	4751.140027	5152.785303	4549.896519	4576.450283	4593.257411
4.08_406.1620m/z	406.1620139	4.078183333	neg													839.8722461	880.5353404	840.7783852	925.8307693	1244.136786	780.2837726	724.6689254	1300.095086	1895.877693	857.7964583	860.4871425	1565.579122	702.8692616	600.6702203	646.3412027	885.8287609	763.1765872	794.0033663	1066.203053
4.08_415.9645m/z	415.9645143	4.078183333	neg													2361.691899	2377.899117	1705.560589	1769.640317	3321.557105	3031.626398	1848.911175	3353.664069	2054.066851	2754.257356	1581.610106	2585.753528	2394.469736	1613.897555	2637.172151	1217.119794	2577.453177	1592.545449	1312.186544
4.08_430.0319m/z	430.0318706	4.078183333	neg													515.4904451	551.3447643	466.7484995	228.0908725	815.1139138	440.1727093	244.2077279	678.3347739	594.230151	770.8644545	458.616239	194.464216	511.1135101	723.5604584	555.3272474	535.9643081	884.9161335	526.9669214	366.0336585
4.08_707.1465m/z	707.1464824	4.077516667	pos													10134.18358	9424.710955	9563.57912	12359.66334	9140.746762	8723.164562	10392.48316	8322.006079	9479.11745	8440.654613	12715.14007	5995.563137	9187.994865	9130.425628	7335.880063	10394.2424	8100.75181	7163.392407	7298.658409
4.08_883.4304m/z	883.4303581	4.077516667	pos													1855.412333	2116.991119	1426.703038	2547.987442	2305.971865	1387.314277	2508.137134	742.0098078	3083.694896	3125.640948	0.000297236	2160.770261	1915.868984	572.8686899	322.7299875	2479.690537	1397.003663	2360.669212	1310.504571
4.08_883.6815m/z	883.6815485	4.077516667	pos													2018.625562	1731.456784	2147.63269	4467.991368	2380.786713	2637.557834	2912.723248	1865.325727	2137.579243	3622.551672	2135.884592	3312.733318	967.5601019	2818.050072	2837.211246	3052.280113	1000.052558	4151.507436	3733.191552
4.08_884.1824m/z	884.1824405	4.077516667	pos													1624.79093	1698.217583	2310.319092	1429.630101	1824.801104	623.5189946	3359.542057	1329.650849	3190.182333	1584.555259	2483.24212	0.000297236	2167.794985	933.7069454	681.4771649	2059.326951	1302.894105	2388.820215	848.6272203
4.10_1074.0394m/z	1074.039378	4.09935	neg													2916.385518	3012.583737	3163.109105	3324.579822	3831.429388	2463.717195	4743.63121	1073.421716	2944.656401	3328.398402	2598.489981	2677.036981	6784.980962	4207.845331	2327.800448	1890.67421	2535.857852	2865.446748	3366.384373
4.10_1074.5409m/z	1074.540859	4.09935	neg													2628.124947	2768.702626	3188.834179	1173.640798	3526.850804	2949.853047	3779.994907	2457.141156	2544.224364	2417.268263	2748.701494	2928.143933	6222.793028	4338.238553	2994.47994	2143.00515	2472.427877	1517.371609	3551.697963
4.10_1085.5310m/z	1085.531007	4.09935	neg													324.8959422	400.5265611	494.6087646	1381.532553	2189.388436	1401.58597	911.1165884	504.8325233	1237.515584	694.6358588	563.1728043	81.0365945	2420.713085	1480.989503	757.0552447	743.7246996	1041.359133	688.9878108	1690.91259
4.10_126.0004m/z	126.0004109	4.09935	neg													1261.443622	1164.053716	1249.308348	1200.199394	1191.987205	1028.743464	900.405104	1883.996209	1600.514831	979.1076455	937.4965276	2119.022623	1013.916995	889.6448302	1212.565087	1138.592936	1132.223222	1130.789466	1043.138979
4.10_190.9975m/z	190.9974571	4.09935	neg													4110.271379	3352.264724	3731.081325	3603.120427	3990.050412	4459.047772	3719.69263	3948.260734	4035.154386	3401.157453	4075.215989	3791.986739	4046.499702	3872.935777	3943.719215	4054.421253	3876.306443	3483.380664	3698.06298
4.10_233.9262n	214.9083177	4.09935	neg													4167.292932	3963.565865	4174.960821	6.825310391	30.47017308	3.394048525	6.648166004	13581.26215	14473.94581	11.00790739	5.12066494	8691.639914	19.39618769	13.39091838	8.295810868	14.00244123	6.719429549	19.94114095	5.996621474
4.10_237.9787m/z	237.9786817	4.09935	neg													1417.904656	1449.82927	1357.766709	1376.431033	1547.093439	852.5412824	500.5242651	3551.773094	3099.560816	866.6395306	847.187848	4005.744316	720.6834809	669.8238598	1338.11848	1129.559805	1152.62195	1384.3673	1189.886959
4.10_267.9923m/z	267.992295	4.09935	neg													316.9227464	351.4944575	336.4930152	293.1724727	363.524139	332.3258074	368.3738162	210.525571	199.9892166	334.6265874	364.3211178	278.6437437	285.6370444	361.0920133	420.5267295	317.0613132	448.3626113	441.3374913	329.3329292
4.10_272.0962m/z	272.0961893	4.09935	neg													250.2544255	214.9096933	336.1059637	174.7940897	249.1779434	269.1208706	197.448891	774.8857962	677.912595	121.0115174	276.7417882	352.5363528	233.4655635	388.818071	340.0259877	213.9752807	341.2231084	355.0489037	215.5211665
4.10_273.1278m/z	273.1278374	4.09935	neg													1364.399794	1318.053108	1387.185732	1033.081277	1488.766884	861.054704	1367.170883	1398.86007	3651.052862	2586.424705	2147.050392	1213.591617	867.9643681	2150.03444	1968.767947	1372.207919	1496.011498	1161.669655	916.1181194
4.10_306.0423m/z	306.0422532	4.098233333	pos													848.2652609	1028.418526	995.9915424	78.32058847	98.24336377	110.7280504	0.000297236	7024.104147	7193.527256	0.000297236	0.000297236	2033.230877	101.8616642	66.48865778	104.256059	0.000297236	84.74856612	0.000297236	95.64837247
4.10_333.9116m/z	333.9115836	4.09935	neg													1595.805377	1481.014818	1608.5869	1457.683847	1323.561068	1241.798729	1494.41821	3574.260419	2631.399961	1326.01785	1424.234928	3815.021565	1422.491389	1348.010571	1348.055015	1325.343667	1453.945548	1219.36504	1346.256673
4.10_369.1903m/z	369.1902633	4.098233333	pos													866.6504071	1123.105093	807.1180115	755.5584107	755.8770468	926.7556932	1142.316276	1152.844829	955.9997412	598.8978174	914.7575157	658.8560627	1079.150814	840.2751909	468.4459181	559.6015428	586.6977422	720.5915045	1070.732127
4.10_412.9919n	431.0257434	4.098233333	pos													13528.07482	13882.23281	13763.29843	11381.2769	15121.05315	14391.04208	14459.51502	13408.66854	14769.39308	12863.60406	12614.98876	14103.24247	24841.30229	16715.05029	10304.64679	10396.41152	11744.80749	7683.870762	15246.02222
4.10_431.2263m/z	431.2263472	4.098233333	pos													13420.40537	13112.23975	13745.70908	11961.2592	15347.51847	15318.97911	16072.55227	13974.76023	14722.78461	14937.7257	10770.83192	8542.32856	25056.38405	19311.52661	8081.486136	8484.230172	12513.39589	9113.616088	16682.02201
4.10_431.4266m/z	431.4265728	4.098233333	pos													9124.513956	10035.15545	9191.344463	8162.198008	9800.192783	8659.221095	9577.790766	7768.361848	10978.55141	10132.41236	7337.148772	4550.651119	18045.70843	11875.76712	4331.616438	4280.764778	8893.025206	7459.763251	9580.626479
4.10_435.4806m/z	435.4805654	4.098233333	pos													998.2683574	971.8327352	918.468694	445.6642317	583.7941823	760.3635562	755.6748026	2056.669932	1808.300098	565.6169289	303.4157659	1364.720905	864.3710245	892.1910896	518.0788525	218.5322695	401.4060372	651.6248117	811.6814755
4.10_435.7313m/z	435.7312737	4.098233333	pos													908.5201785	841.6548456	742.9983975	947.4339491	678.0455522	1103.417081	797.7040692	1636.438518	1859.178307	430.2915242	191.2953996	1336.314732	949.5378553	645.7852761	215.1180434	240.9923294	217.3528774	689.4650364	958.030727
4.10_436.2430m/z	436.2430125	4.098233333	pos													3291.619607	2906.508219	3052.627434	2574.200595	3191.058744	3774.332738	3889.269788	1928.152197	1286.884572	4248.552273	4089.801153	682.852155	4713.597735	4237.411854	3408.038784	2585.721897	2923.715068	2465.853196	3951.909209
4.10_436.7443m/z	436.744319	4.098233333	pos													1081.745555	909.1216582	1108.768677	911.5197277	1802.314516	1407.548938	1986.993811	415.0218069	1013.594878	1426.697053	1059.854417	490.5527928	1634.730207	1932.630553	1131.201212	1073.106708	1250.137921	729.9278602	1532.989647
4.10_465.7571m/z	465.7570771	4.098233333	pos													1111.484583	1227.887379	1022.734663	1003.509839	1724.941616	566.4293245	1586.742514	982.0020246	650.9164423	2176.819676	1048.11354	615.4657005	928.126221	205.9991375	730.6762748	907.3549034	1128.053235	846.9073605	1374.092477
4.10_478.2357m/z	478.2356866	4.098233333	pos													8856.46267	11775.18561	11747.42904	7208.583136	12550.23323	9563.633487	14878.57357	6365.70538	9797.994314	10429.34709	11114.97332	7263.364633	22830.12172	19170.78575	11743.52162	8912.685279	8114.837432	9270.138048	13102.42265
4.10_478.4864m/z	478.4864435	4.098233333	pos													9449.254707	11530.70723	12444.77403	7065.750346	11855.04526	7376.45316	14570.4071	7086.084576	8810.573181	9782.50423	9171.993591	7891.235297	22527.58053	19037.15964	9989.546338	7353.748687	9409.407997	7742.491785	11923.18136
4.10_478.7370m/z	478.737046	4.098233333	pos													6223.859971	5173.896753	5908.199474	4322.41378	6765.891246	5516.188293	8465.942273	3600.67665	5291.556061	4999.956554	6180.852786	3497.884783	12807.77531	10192.74097	5274.216066	5248.163271	5055.643234	4299.761575	6892.193661
4.10_478.9874m/z	478.9873651	4.098233333	pos													1851.843941	2363.334247	2267.625839	1374.458009	2545.341818	2495.131154	3545.868271	1662.34766	2220.095257	1931.272502	2741.826988	1584.187304	5491.388692	3610.358077	3101.525247	1788.822768	2367.443008	1964.540913	3331.10982
4.10_510.5180m/z	510.5179809	4.098233333	pos													720.961383	950.6277435	830.1924057	872.7283147	1348.003954	1783.567668	725.935242	548.0461592	223.2778898	626.9023582	1108.58905	521.6080799	703.4071578	623.3225322	1180.457184	975.917111	746.7831224	874.1871567	436.8532866
4.10_516.1898m/z	516.1897566	4.09935	neg													469.3670595	787.3677414	550.5611267	420.2510726	310.6837321	337.4700225	262.5395862	1707.281939	435.1068048	151.6978663	367.8435138	1244.012401	0.000297236	224.6115114	399.4918401	324.9047211	297.471303	446.5688827	485.5416865
4.10_516.6953n	1032.385374	4.09935	neg													3457.796833	2829.79119	3394.216184	3625.517907	2469.255307	3285.171307	3121.748075	3090.078992	2940.665846	1918.39889	3646.891116	5022.803492	3063.059368	3657.368438	3407.11703	3580.484812	2536.206598	4538.634651	4093.351044
4.10_526.6790m/z	526.6790113	4.09935	neg													707.4976159	559.7286776	385.9900436	405.0464093	334.1234188	385.081965	556.5763832	1220.256128	1349.615215	351.8902683	574.0056331	1640.408409	421.8279681	296.0091574	521.2779944	335.573472	436.2124173	560.8827998	649.3422027
4.10_538.5305m/z	538.5305493	4.098233333	pos													13965.29496	17786.34058	18463.82103	13720.57161	20057.8744	15911.42757	15785.30388	15576.73573	18357.50674	15087.22322	14195.56063	17505.82781	27733.7247	21724.29175	15296.45179	12178.9355	15298.417	12788.37105	16732.94942
4.10_538.7812m/z	538.7812388	4.098233333	pos													13409.78917	17514.67782	18009.00351	13824.6186	18200.50501	16920.73578	17462.37946	14175.54912	14678.36457	15609.41732	14313.82112	16219.48135	30728.20839	20871.35001	15220.02005	14794.06489	15779.25914	10339.97259	17440.21833
4.10_539.0318m/z	539.0317884	4.098233333	pos													9569.368108	11529.27117	13199.32804	8514.085501	11193.79076	11947.85197	11270.17096	9803.633887	10434.09588	11095.45638	9943.487617	10314.79644	18552.77747	13094.60256	9063.239714	6795.029261	9301.552019	7590.967116	11286.73067
4.10_539.2823m/z	539.2822825	4.098233333	pos													4941.747057	5331.189977	4969.783211	4047.90996	5075.860165	6384.207244	5581.680225	2721.14286	5082.871532	4473.922723	4936.318076	4601.89273	11471.73462	7199.535796	5062.546137	3729.571322	5043.633419	3883.88391	5172.479579
4.10_707.3475m/z	707.347492	4.098233333	pos													10248.55538	6942.741996	10232.75264	12722.66147	8990.198023	7956.390986	10998.68846	9930.67956	9204.70966	9705.127751	13149.00705	6247.928165	10033.87875	7197.857035	6585.791064	9327.255294	7981.814716	9206.498559	9066.295158
4.10_717.7039m/z	717.7039404	4.098233333	pos													1682.842572	2052.496501	2734.711243	1819.019224	2235.272431	1376.675189	2691.903941	1849.461074	2199.989545	1708.18039	2547.123399	3281.605509	4508.401926	2910.770183	2254.133647	1331.565359	803.1712579	1406.249953	2731.92817
4.10_718.0385m/z	718.0384926	4.098233333	pos													1603.129069	2045.259675	2277.367399	1320.151718	2429.438914	2868.781703	1681.659736	1728.988998	1769.082441	848.7585158	3187.904118	2016.838985	3757.501219	2457.844021	2251.896853	1228.300085	1416.193907	1131.142804	1786.145449
4.10_821.8907m/z	821.8907029	4.098233333	pos													4968.433572	3145.552775	3782.246277	3552.893255	4267.01152	7741.759675	2155.071329	8449.372055	7148.308784	5177.981045	4633.477291	4665.945222	875.4153243	1459.142123	1938.238558	2973.824656	1464.769545	3423.030949	2731.930983
4.10_953.4492m/z	953.4491683	4.09935	neg													1730.362375	1033.816162	1160.059067	1035.190533	2051.855056	393.5789223	2920.151798	495.3817731	1240.30869	619.8641808	2422.395577	373.6494686	4513.341361	4566.833031	2089.188772	781.272806	1338.201929	613.5299705	1853.592304
4.10_953.9513m/z	953.9512677	4.09935	neg													1156.962971	915.928588	906.1242371	570.3144412	1335.970213	896.6514287	2607.603922	624.5087109	618.4995865	852.6850843	1849.123293	675.7493661	3525.609043	1977.218225	1678.599978	866.3229878	746.1002526	1115.990557	1691.657814
4.12_113.9793m/z	113.9792847	4.119566667	neg													278.5773969	215.0283594	348.8192562	351.1863905	321.2089159	305.6459137	278.8506504	322.3128818	355.3233623	330.1242561	296.2596179	405.5088167	397.2492807	370.3210173	349.431552	351.9549833	353.6491777	381.5128619	320.8672393
4.12_117.9126n	162.9113324	4.119566667	neg													1112.121258	1389.807899	1330.006267	17.62026607	17.84014268	0.000297236	0.000297236	5428.029829	7192.276471	26.70033182	15.99235595	2750.184866	14.9267983	13.28212211	49.17007657	14.13801363	13.24147674	16.16837785	0.000297236
4.12_128.9581m/z	128.9580686	4.119566667	neg													1180.174869	1072.924934	1080.992529	1042.499195	1034.606348	1066.930332	1099.530497	1399.600321	1911.369231	1069.872122	1063.705372	1197.981906	1046.976848	968.0138866	994.060833	1071.410199	985.9659247	1049.661979	912.8226063
4.12_133.0299m/z	133.0299167	4.119566667	neg													2993.3902	3107.679977	3090.198663	206.1780693	208.8736025	245.2690957	252.4489659	10420.00191	13028.8861	255.7142156	261.4899384	5776.782996	200.8287458	189.2147167	196.6231571	161.3489075	210.21116	236.3470703	221.3513513
4.12_162.9323m/z	162.9322797	4.119566667	neg													3007.042286	2831.286849	3087.908725	1068.764763	1011.208732	1083.919788	1049.918871	6331.436763	6776.281339	1076.910485	1250.946366	5383.534897	1143.855328	1041.70878	1045.258368	1210.404865	1123.88745	1062.269126	1111.628656
4.12_163.5434m/z	163.5434141	4.11915	pos													579.492199	561.6044118	693.1523762	742.3564719	361.2335703	829.8366062	397.0513048	630.5565557	482.4770397	453.3536545	374.2925541	916.1320652	606.2909923	581.4769164	725.6091907	492.2387753	604.5299907	678.9973545	995.2572611
4.12_165.9156n	210.9142834	4.119566667	neg													51642.9461	50192.03802	51481.32946	44.4757207	58.09251991	57.72437659	73.02229359	236217.0535	289888.6027	75.86998101	79.97351225	141261.6037	110.0511969	52.92042221	14.77862334	42.60405772	53.15691085	8.912174317	82.82277864
4.12_171.1743m/z	171.1742662	4.11915	pos													711.9190191	1131.673955	1028.448812	1136.181187	951.2258266	1200.420406	1166.009315	1111.633419	1018.995029	1178.06947	1229.944478	1095.143574	929.2121245	1110.692924	1015.460753	1096.855619	1251.850186	1088.667685	798.3904985
4.12_208.9174m/z	208.9173623	4.119566667	neg													50025.34196	48734.67367	51832.80657	727.0821694	637.1601404	625.1818317	759.9405426	227676.7162	276749.2507	816.1967473	735.4322725	138119.1969	885.0346123	747.1487078	901.0304375	669.1160752	573.5702768	765.2895104	716.6333228
4.12_212.9113m/z	212.9112753	4.119566667	neg													16670.25652	16266.79969	16945.19243	547.435973	379.1760949	542.0481249	565.4981188	77695.04169	94961.4194	629.0477778	653.2414849	46244.50628	557.1684092	497.8104097	489.9695513	554.7782577	568.965493	551.9628086	538.9037971
4.12_227.9046m/z	227.9046267	4.119566667	neg													6687.173115	6730.92862	6766.702916	2345.017487	2310.76665	2253.610598	2416.877681	15564.77414	18273.50438	2251.677132	2583.401006	12270.27452	2270.068884	2235.311184	2306.082894	2391.24998	2200.958613	2317.744982	2096.425147
4.12_233.1258n	232.1185108	4.119566667	neg													1912.056249	2011.974492	1945.86554	3526.490163	947.568467	5132.696706	3271.06301	2021.722437	877.2474078	1386.978032	1291.810792	1226.79772	2377.915048	1758.330178	1708.906996	1841.123461	1891.13652	2853.245995	2812.62709
4.12_256.0623m/z	256.0623001	4.119566667	neg													1014.983297	1106.667735	1028.042813	782.7293416	1010.378533	873.8984458	817.0344206	2893.856207	2182.107168	727.4651767	828.8154904	1699.345657	699.4711811	817.1541345	773.7557455	744.394884	759.4122604	794.8115628	781.3135008
4.12_256.0800m/z	256.0800007	4.119566667	neg													5266.943505	4873.16104	5291.916805	5540.241686	3762.466909	7383.746637	3797.765863	5775.446145	4449.904411	3891.546233	3446.816185	7852.291512	4841.232599	4364.857915	5888.635035	3696.874735	5109.806993	5566.386002	9118.081592
4.12_273.0704m/z	273.0703631	4.119566667	neg													577.3836849	550.7275922	626.1056881	771.0013877	590.7520601	914.679931	551.9579442	468.1400723	361.6358319	550.0247057	438.6633393	705.0732083	768.8231703	742.0297998	835.2371578	396.0325349	704.1082895	685.8542122	1437.227576
4.12_289.8903m/z	289.8903274	4.119566667	neg													2390.74057	2323.141567	2278.680394	1678.021182	1291.074818	1583.264157	1605.922372	3566.156596	3779.475791	1375.732358	1787.243474	3183.698386	1550.515983	1386.798146	1596.238001	1665.285347	1750.883775	1636.495092	1527.026259
4.12_290.1609m/z	290.1609239	4.119566667	neg													453.2326034	654.7585792	457.3525066	683.10988	493.1780845	374.3212449	448.4360391	754.0765742	656.492373	657.1987483	503.1441175	642.2063244	396.9284376	350.9305122	247.8412338	268.9976425	420.5030224	236.005657	323.9231883
4.12_297.9566m/z	297.9566421	4.119566667	neg													6285.705102	5581.62107	5706.692567	5449.483943	5210.617523	5372.034961	5719.430765	8968.366408	10000.31526	5664.618413	5725.405977	6803.448818	5653.724402	5546.678347	5909.25125	6083.000059	6061.964431	5446.510119	5376.805125
4.12_342.1668m/z	342.1668221	4.119566667	neg													1481.784782	1384.98591	1717.714857	1197.513092	1356.624999	1887.271604	1385.928046	2034.58712	1597.238893	1372.649524	1412.284834	1767.695311	1415.868662	1560.394683	1295.793737	1327.556552	1251.206171	1303.023117	1917.256894
4.12_352.0125m/z	352.0125192	4.119566667	neg													937.9886604	848.3166777	1053.27634	0.000297236	78.46781723	39.19367845	39.82354628	2900.891254	2370.477697	0.000297236	61.53223523	2657.524171	77.05197839	0.000297236	95.60476343	0.000297236	73.96852511	57.04006196	0.000297236
4.12_358.1484m/z	358.1484362	4.119566667	neg													1174.181512	1800.497513	1231.057092	1642.85779	1536.737711	1744.476323	1784.240718	2236.538636	1187.757285	2093.635737	1433.522908	1600.062189	1478.612403	1246.198319	1280.308203	890.4021767	1654.674764	1227.772723	1198.84006
4.12_384.7397m/z	384.7397208	4.11915	pos													1180.378867	995.646578	840.4851881	1042.998375	937.1037804	1179.736426	667.8701231	2231.047913	2350.572932	657.5668866	826.8370604	2278.468226	1271.248536	974.0678607	282.2651897	533.1784307	563.3764817	390.0198887	762.43229
4.12_423.8337m/z	423.8337312	4.119566667	neg													1593.684234	1399.845587	1663.109741	364.4305126	395.2129199	292.2393038	407.9706592	4418.087866	4621.716625	454.6970769	358.5019359	3456.825669	433.421834	241.3747162	313.1794123	528.3610238	387.7740978	299.5303201	365.8750895
4.12_424.8298m/z	424.8298406	4.119566667	neg													3683.390995	3791.09489	2949.179267	21.12471418	0.000297236	0.000297236	0.000297236	12012.05682	10372.94444	0.000297236	0.000297236	8295.328147	10.59269043	0.000297236	21.84873476	46.51577765	17.63760665	18.2644525	0.000297236
4.12_426.8267m/z	426.8267441	4.119566667	neg													3046.101373	3276.44437	2448.67673	7.906050292	3.556218357	0.000297236	4.840618332	10067.05374	9661.54926	5.341098817	4.539914926	7087.390552	8.269380427	7.232209116	6.007597804	4.523458024	6.054404044	6.579930911	5.271365244
4.12_428.8238m/z	428.8237669	4.119566667	neg													1617.151918	1769.137103	1240.36462	9.57335026	10.53570472	4.815221422	0.000297236	6701.904993	5460.248	1.443310485	5.495383545	4615.610832	0.000297236	3.985126197	8.199932513	0.000297236	11.63046804	0.000297236	8.356235048
4.12_457.7404m/z	457.7404074	4.11915	pos													697.9474571	1150.723931	1093.395954	1364.640074	374.6656684	1751.254636	864.9230154	386.5911909	226.6232486	233.310792	444.2840655	781.3948097	1463.26233	679.5107673	26.49457538	409.5807993	398.7217806	852.9407545	1533.077361
4.12_460.0425m/z	460.0424927	4.119566667	neg													879.2844529	822.099865	830.5396576	775.0816398	460.4308944	1152.898494	510.3442224	796.2075652	667.6703394	600.2606265	600.3883997	1222.204643	740.6837881	929.9523758	920.7138463	566.5610107	989.4751422	783.458899	1338.876041
4.12_468.2456m/z	468.2456478	4.11915	pos													1600.371886	1108.757035	1982.228122	2851.456097	1271.706815	1603.516185	1571.295123	648.4114865	463.0119188	2350.837604	1138.933046	947.9484794	1894.689184	1723.996108	1494.512603	1571.402542	1472.970266	1345.141368	1549.548622
4.12_500.2361m/z	500.2361496	4.119566667	neg													1981.696023	1704.852718	1406.915751	1552.466598	1479.905284	1954.419446	1801.837283	2908.768266	2915.634087	2260.822325	1880.398133	2373.014317	1346.321722	1312.060553	1177.799797	1119.897497	1408.941514	1219.68909	1395.334624
4.12_517.6895m/z	517.6895456	4.119566667	neg													895.4505632	976.0615632	756.3037393	680.7570164	879.5578771	775.8295541	423.0178218	3614.112161	3368.714923	514.7898507	665.9442804	1841.949472	308.3279679	363.6051376	477.6117503	370.5990422	588.6817632	719.481898	722.7966857
4.12_517.7029m/z	517.7029426	4.11915	pos													1754.91731	1789.689781	2151.232163	1870.354686	1328.000093	1125.715915	1357.94668	636.8874395	1046.801458	1091.376288	2040.224501	204.7176579	1635.559587	944.2515727	0.000297236	509.7867358	1441.860317	734.7807415	1468.675714
4.12_518.1910m/z	518.1909628	4.119566667	neg													409.2490226	499.8049197	518.69498	162.7523033	295.2146255	245.8819611	190.5314861	1760.631324	975.0112035	173.4725367	383.5224413	616.6651042	114.7561479	117.1119724	262.7969174	227.3833248	294.5673926	413.0020346	204.148982
4.12_528.6806m/z	528.680568	4.119566667	neg													392.4073907	545.6330521	386.6704025	332.5830832	265.1427884	299.5178032	368.0358531	1207.603074	888.8358189	225.2692098	365.98955	1108.478948	100.6107816	0.000297236	178.0836771	186.4300041	168.0945088	293.918479	299.97256
4.12_575.8085m/z	575.8084845	4.11915	pos													942.9953589	758.4443603	585.2344971	620.9699354	0.000297236	939.6919211	415.5483311	511.8248418	298.8055122	1127.705448	278.2154865	671.6867419	957.6919859	1293.410201	1283.388574	1193.556167	391.3787622	1692.749953	989.448207
4.12_651.2793m/z	651.2793378	4.119566667	neg													1126.739755	1062.478141	1020.382819	1714.187441	881.5243982	556.5537422	567.6209592	2486.4081	1291.728166	391.3638693	739.3138903	784.3537025	0.000297236	455.2282807	304.635899	405.5638181	739.9602878	1354.844752	476.8044994
4.12_822.1418m/z	822.1417673	4.11915	pos													4115.198985	2332.842426	3127.054016	2991.730724	3261.538369	6810.466956	1548.94329	4633.149383	7013.136132	2746.159892	5314.851227	5211.086902	2082.228377	1212.328477	1842.367477	2445.160917	1044.001625	2876.304018	577.1010976
4.14_145.0857m/z	145.0856647	4.140466667	neg													1225.384289	1070.785485	1152.815702	1190.941214	1140.064926	1264.673741	1265.493379	947.4258126	921.4100513	1174.284725	1235.234314	1275.441786	1279.823407	1300.901608	1234.671771	1230.470381	1249.102226	1280.332298	1296.985457
4.14_189.1122m/z	189.1121728	4.140466667	neg													1864.528241	1766.788909	1871.033535	2176.837499	2128.817238	2198.11504	2303.278929	2152.238459	2362.210007	1899.124376	1637.907288	1637.897865	1945.865748	1729.623077	1456.629532	1157.117633	1374.709135	1974.169605	2189.430928
4.14_197.9857m/z	197.9856816	4.140466667	neg													367.0713088	440.0039938	397.9376797	422.2950099	370.8314838	303.0361681	357.5634421	586.3177825	758.0845928	287.3606798	418.3486289	349.337493	372.114318	352.6236093	310.0985832	340.9891248	383.0595867	251.3335442	389.1879434
4.14_204.1551n	243.1201034	4.140633333	pos													5408.117592	7422.905881	6270.888608	4561.420441	5847.268353	8051.902039	7414.487203	7611.775549	6969.345348	4700.55581	8020.350798	7769.104986	9646.314524	7602.778152	5053.329334	5119.262125	4948.748899	5114.483245	8370.826246
4.14_213.1102m/z	213.110216	4.140633333	pos													2399.120892	3501.467564	2188.333473	2058.397307	2073.043988	1902.027792	1606.600627	2315.414786	2419.828464	3029.844257	2633.086065	2601.530844	2477.385406	2290.074912	2084.075595	2002.883304	1964.686108	2034.3356	1782.003021
4.14_241.9760m/z	241.9760287	4.140466667	neg													436.5019396	577.5035793	499.9328856	550.9322786	454.6367123	410.4850099	381.3873876	715.4448862	859.6408967	367.4877757	639.6188045	615.4879931	471.8150964	383.4349969	467.57892	493.5164232	435.3759974	420.3075016	446.0683479
4.14_260.0232m/z	260.0231972	4.140466667	neg													7248.487571	6703.390174	6853.751324	6135.936676	7355.140796	6817.992195	7406.150717	10138.41353	10486.99894	6381.062933	7347.746916	5693.693987	6687.418906	6020.893616	6353.522353	5248.969457	6873.292584	5481.925278	7302.636932
4.14_266.9944m/z	266.9944336	4.140466667	neg													2604.258263	2529.514738	2599.186868	558.7974049	3562.94746	7029.113605	366.5662247	1336.71952	1087.147991	22312.80249	449.6434874	449.1561032	557.3725192	378.4159438	798.0570589	811.607104	1067.13042	504.0114927	303.5729591
4.14_268.0015n	290.9907421	4.140633333	pos													598.9572628	494.0053454	354.5740967	0.000297236	663.4006917	1798.586949	0.000297236	0.000297236	92.29463306	6789.381441	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
4.14_318.1910m/z	318.1909614	4.140633333	pos													6824.873201	6713.996859	6960.812359	2063.444767	5000.640192	8610.975722	1776.131999	34168.37147	24664.74901	5222.67187	2934.835036	5518.039631	2215.57775	2787.424635	2140.176563	2056.278282	2149.818725	2123.475329	1283.211419
4.14_334.9818m/z	334.9818207	4.140466667	neg													734.9097646	986.0930886	772.7027931	0.000297236	1208.603149	3293.848082	0.000297236	195.9073897	251.5752507	9900.949386	0.000297236	10.633818	77.62809805	0.000297236	134.2722877	166.7427565	294.2498769	0.000297236	0.000297236
4.14_356.1827m/z	356.1827118	4.140466667	neg													2164.926121	1711.918725	1938.802519	2347.108085	2076.401345	1364.988792	3064.178587	2348.891364	1400.315491	1352.095685	2515.962961	1209.512318	2311.822607	2116.898651	2274.342198	1743.515173	1986.172909	2235.84105	2455.88172
4.14_400.2307n	423.2198486	4.140633333	pos													2307.315116	2178.186307	2564.203386	304.1967443	20.20112901	17.45356935	148.3450195	3.231288898	3.782110797	2.541762178	40801.0269	9.522559989	0.260887475	229.5696982	25.1819733	2.493281452	0.663248573	6.197982904	26.03781867
4.14_420.1875m/z	420.1875065	4.140466667	neg													282.81202	326.0771039	316.3354874	105.0882483	773.2704019	635.027491	95.32850127	1698.590226	708.4370939	216.0087882	89.08100674	96.76780818	134.6105276	165.534789	73.70832527	102.6496112	96.67665262	0.000297236	270.8914194
4.14_462.2542m/z	462.2542485	4.140633333	pos													1947.294099	1219.334318	1692.603271	1794.640732	2011.8154	2115.856174	2244.263665	628.3460078	507.3222494	1619.370804	1837.406073	736.2722232	2464.851232	2609.561314	1793.244727	1580.976877	1970.884217	2032.832036	2556.603178
4.14_498.5018m/z	498.5018218	4.140633333	pos													1157.980543	1197.842233	879.6380157	387.6182077	787.8139397	927.8070962	1006.864508	425.5821001	0.000297236	746.1605687	0.000297236	0.000297236	860.5660503	913.0107536	1183.239402	688.8284217	804.7078693	1245.600752	837.8597387
4.14_506.5876m/z	506.587565	4.140633333	pos													4259.52435	7304.014791	5367.342726	6107.674232	3975.138661	6474.35352	5837.407434	2674.93197	4494.543156	5859.621247	5462.660985	3632.25233	5393.78162	5242.682262	7212.396344	6984.967054	6944.644809	8586.239704	7176.659883
4.14_506.9219m/z	506.9219236	4.140633333	pos													3339.704561	4616.237619	4091.546722	4578.246781	2904.689822	4692.546271	4097.76958	2386.713364	3015.652132	4559.009126	3433.905836	3176.107645	4702.892412	4530.598401	5311.273549	5258.434104	4256.816422	5916.765899	6491.049727
4.14_507.2562m/z	507.2561822	4.140633333	pos													2042.784232	1778.739231	1417.878983	1741.065259	973.7104904	1775.928067	1520.966042	995.6033451	619.5417072	1424.234714	2077.59527	1470.543135	1934.269238	1313.948117	1505.614647	2168.853743	2457.825937	2782.468564	2183.310462
4.14_534.2852m/z	534.2851615	4.140633333	pos													1392.226423	2508.144269	2249.708668	2086.767532	1859.829489	1422.669978	2435.202945	1090.530466	1541.080765	1590.587446	1599.279587	1315.737809	2095.025086	818.0347657	2286.10061	1390.880856	2925.15962	1719.065632	3758.032211
4.14_553.7098m/z	553.7097541	4.140466667	neg													442.0517807	662.7408972	595.8282239	570.1001442	404.3346607	515.8138797	422.1127684	1490.444356	1087.331751	752.0207927	417.9729449	884.5717345	326.9127593	295.7478803	301.1066987	231.6957529	141.9558372	513.9440352	460.7455594
4.14_575.3074m/z	575.3074125	4.140633333	pos													3037.788049	2735.457274	2248.281004	2186.631961	2555.511145	3433.832396	2827.804432	1422.421794	1319.661383	3043.977038	2655.044028	4966.8767	4003.650083	3717.380285	3201.85046	3390.462658	3303.08688	3331.360232	4312.624278
4.14_677.3438m/z	677.3438018	4.140633333	pos													1175.980892	1128.427551	659.2604065	965.9286591	594.5391032	0.000297236	1920.87173	0.000297236	1196.267139	1232.703702	1467.281577	168.371593	1174.218808	1691.767448	1052.057157	1932.652113	1445.354036	1637.185351	782.2858699
4.14_677.5953m/z	677.5952579	4.140633333	pos													1508.78954	1181.452766	1903.692742	625.6587186	1170.631505	0.000297236	1955.922705	0.000297236	1254.064092	2077.435359	2341.443568	0.000297236	1576.06323	1202.619324	544.9900076	1818.527547	447.3488152	1913.360909	1763.465833
4.14_677.8453m/z	677.8453296	4.140633333	pos													752.2006047	1145.676837	689.20421	544.5086819	1956.655745	1566.19295	1850.842437	0.000297236	0.000297236	1240.991348	1774.101513	0.000297236	1425.978488	1390.780824	727.1929269	1972.008247	1932.631264	1848.759711	629.8935228
4.14_786.8741m/z	786.8740927	4.140466667	neg													905.9215774	871.8936212	663.5395543	241.1822349	602.5652143	740.431975	1786.520566	0.000297236	0.000297236	1481.800533	1232.599525	0.000297236	1008.190731	1961.458673	832.1343301	364.023356	1161.912833	244.188044	1824.837538
4.14_787.3759m/z	787.3758598	4.140466667	neg													797.1693625	792.2123775	581.4668918	0.000297236	561.8495635	375.907368	665.8338505	0.000297236	0.000297236	909.0523456	1085.03053	0.000297236	782.9819175	1034.837157	619.2236965	548.1193423	837.673319	418.7042431	1195.659613
4.14_788.8875m/z	788.8874902	4.140633333	pos													1355.389124	1301.266118	2149.199833	0.000297236	329.6183234	444.4907414	3472.980534	0.000297236	0.000297236	2069.700488	1889.103424	0.000297236	2054.086193	3005.43381	1822.747175	932.9941576	1151.108315	443.5619561	3550.414821
4.16_180.9986m/z	180.9986138	4.161483333	neg													511.1188728	575.1378512	488.9981709	1033.064226	369.5528415	314.6128328	778.6346052	0.000297236	158.7316073	545.8153644	700.7136249	257.1569354	1118.603224	646.0241901	651.1777082	347.8357601	482.4090373	581.8584866	491.2857716
4.16_197.1173m/z	197.1173442	4.1621	pos													4669.508941	5211.536635	4721.881281	5084.833435	5037.454081	5228.178358	5166.432013	4594.91362	4483.603636	5080.143843	5417.106295	5640.328161	4938.330414	5508.681893	5714.631791	5555.902491	5678.03616	5073.834552	4789.993106
4.16_216.1234m/z	216.1233621	4.161483333	neg													1332.071069	1333.409821	1286.02263	725.8052619	2330.912865	680.9653176	870.6261613	3365.879115	1412.304171	724.3598658	829.0370215	682.5644477	1231.631334	1497.300494	1477.692024	1140.897819	1130.190181	808.3034661	1463.6993
4.16_358.7129m/z	358.7129273	4.1621	pos													687.5544527	662.5004553	929.6592759	275.2603686	1095.260362	674.1301102	1421.419439	855.4457093	418.7491526	1226.440009	796.9843885	359.9645084	912.7766771	719.6273444	662.4159586	684.7657823	499.2852997	428.3117638	629.5563594
4.16_392.2294m/z	392.2293692	4.161483333	neg													67.30950217	77.84355197	62.30789185	60.15023864	0.000297236	574.3852978	0.000297236	76.5630493	0.000297236	451.4486281	138.9360239	86.95739743	0.000297236	55.31428681	0.000297236	0.000297236	57.2968939	0.000297236	0.000297236
4.16_498.2519m/z	498.2519471	4.1621	pos													1112.827764	859.2667677	904.6848747	563.1526864	1007.342689	1104.225175	1008.430047	361.4773489	153.9667451	1297.820781	868.9971009	0.000297236	520.699539	627.7269953	1612.935334	817.6631372	1362.716277	1394.170504	713.068044
4.16_500.0310m/z	500.0309955	4.1621	pos													901.9310093	534.4046999	985.2344546	1508.724641	1027.471864	2050.28447	1202.595631	1796.081497	1897.875448	1179.3914	1276.090357	1074.492718	200.9516072	707.2557955	635.9611834	473.9401123	957.0611981	714.7335121	659.3873847
4.16_533.5334m/z	533.5334325	4.1621	pos													724.3988759	648.1773985	400.8340454	804.7041349	557.1838654	847.700603	1079.467097	650.1447842	232.7874369	1145.081166	417.1751012	0.000297236	0.000297236	916.7157287	0.000297236	0.000297236	655.4810488	345.3545348	334.4594465
4.16_588.7270m/z	588.7269917	4.161483333	neg													1693.408802	1376.276054	1306.259377	1781.594724	1847.93563	1408.915179	2019.363711	2263.744039	2041.436604	1692.339365	1710.790528	1307.207279	744.8181033	1406.521168	1079.012669	846.9576546	1298.791283	1445.922763	2100.007653
4.16_615.8182m/z	615.8181609	4.1621	pos													2309.047758	3550.922576	3617.022958	2000.489578	5160.38488	3416.450063	4975.439231	2560.708589	860.0540421	6410.089226	3092.087121	1471.163129	4088.652459	4989.976726	4303.168341	2801.184377	3064.576987	2115.974269	2210.714335
4.16_616.3198m/z	616.319754	4.1621	pos													2377.11829	2233.671351	2091.15434	2157.248052	2904.583848	2353.650096	3474.907289	2126.496993	1371.195466	3041.499903	1862.251464	402.2112754	3421.145693	3296.914548	3059.296451	2492.450294	1886.45239	531.505114	1400.529963
4.16_783.8505m/z	783.8505251	4.161483333	neg													1706.524057	2034.297581	1983.666258	2401.542136	1798.508372	2518.193404	2783.989332	858.8574178	570.9815559	2971.930616	2147.058967	1052.485392	1734.780804	2009.361484	1540.347477	2046.66945	2502.348746	1487.847895	2304.246214
4.16_784.3522m/z	784.3521829	4.161483333	neg													1280.203551	1575.984629	1406.316719	1411.049022	1435.381381	1396.879409	1961.195675	715.5771596	766.4729863	1285.95349	905.2590667	529.2919115	1117.346198	1330.554774	975.5348462	1249.535938	1385.048017	1232.945107	1748.726928
4.16_885.1479m/z	885.147929	4.1621	pos													2943.756174	3308.684924	3577.041656	4161.737557	3820.483247	5264.651152	4285.582162	695.4257576	0.000297236	6496.818799	6333.271958	0.000297236	3730.119085	4780.560976	2141.764191	4944.736222	3007.024207	3760.544854	4139.875582
4.16_885.6493m/z	885.6493155	4.1621	pos													1101.73477	1584.12216	1991.818512	2175.034999	1481.0583	2766.563751	1290.364898	0.000297236	579.7243887	3506.082135	2406.599418	609.701689	3228.551362	5055.515633	1946.338239	3489.401982	1819.456111	1894.512605	1798.081912
4.16_910.4364m/z	910.4364295	4.161483333	neg													2531.911147	2445.281951	1506.365448	1309.614658	2312.606093	1627.593259	2402.177658	1456.130568	656.8127258	1473.94943	1068.714421	1689.231939	5921.667786	3830.583711	2342.866735	1445.429307	1891.646462	1595.667676	2932.232105
4.16_911.9482m/z	911.9482093	4.1621	pos													6591.059455	9237.229511	6240.187622	4345.703858	8730.977697	6454.732922	4809.639817	4586.550091	6419.783825	6167.208065	4803.296715	7088.112777	17227.34457	9984.802939	7504.013581	5544.63635	6423.064367	8231.344894	10662.77082
4.16_920.9264m/z	920.9263919	4.161483333	neg													961.424501	970.5042058	594.4274959	607.6208534	696.0200187	460.2034342	1534.102394	268.9668647	0.000297236	371.3585751	633.4861167	534.7662785	2110.059692	1519.552399	420.059188	548.3239619	340.5388598	449.5832156	1098.591503
4.16_921.4269m/z	921.426926	4.161483333	neg													462.0425235	283.8763815	286.3088074	416.9831036	476.3166416	560.540775	473.7743564	304.398058	284.1137201	0.000297236	310.5661098	861.006504	1146.41344	922.4008037	277.4950918	483.9562722	263.3804635	0.000297236	753.9792921
4.16_987.8092m/z	987.8091627	4.1621	pos													1815.437938	2197.555074	1589.90071	1351.621	0.000297236	0.000297236	627.2759513	3314.158252	6696.467247	874.49085	1265.812273	6532.066412	1246.21652	1028.834044	872.5207914	803.7301085	1059.986183	1643.666919	4337.606503
4.18_168.0654m/z	168.0653711	4.183033333	neg													111.2730814	87.35042293	118.3039665	0.000297236	198.6333897	64.3479843	14.24946303	628.3747688	214.4226778	51.92990987	0.000297236	105.4795018	54.55842514	32.9652978	60.43503256	20.77556662	54.59292416	26.43012013	40.26325406
4.18_348.2378m/z	348.2378318	4.1837	pos													1939.619037	1790.594478	2200.186498	1081.986137	1528.741556	8615.621396	818.9396317	1858.620988	1854.946431	5705.521718	1128.351346	1227.631547	1323.898407	1016.617828	368.2812178	554.1149611	1016.089818	1292.231007	482.7914403
4.18_519.7778m/z	519.7778109	4.1837	pos													735.420935	904.8769382	1145.850937	660.588307	688.7397644	848.7467126	0.000297236	384.547303	450.4160775	160.4750511	471.2992786	450.855426	553.0434348	499.7348359	613.7409197	897.0242562	718.3984241	1272.172601	571.2670547
4.18_532.2965m/z	532.2964659	4.1837	pos													2478.29537	1973.723226	1730.567973	2924.395465	1101.034329	1730.259389	2322.970657	4400.707	3707.052527	803.7636407	3524.709144	2109.646477	206.0681169	774.2602747	1297.131828	1419.613856	1352.102343	1519.019813	1226.552122
4.18_624.2448m/z	624.244846	4.183033333	neg													630.4141601	689.9039027	673.249176	1022.982545	1119.600026	665.2888688	893.7794771	1442.146786	1311.653528	1163.864738	1509.26504	567.4351658	332.1588168	632.4948176	746.6913	640.2734903	877.239047	1238.212533	681.4126736
4.18_687.6861m/z	687.6860729	4.1837	pos													3447.129841	5370.105293	4130.766347	3199.511674	4152.687436	5947.285219	5539.963234	2976.353007	2043.379356	7296.754699	6646.053634	0.000297236	3999.614167	4729.600561	4305.84277	2386.162044	4033.710569	2149.215915	7485.887419
4.18_688.0207m/z	688.0206919	4.1837	pos													2813.752138	2726.451566	3033.901901	2823.24347	4610.998932	5002.467939	5560.737445	2569.199964	1117.761349	5890.068489	4430.231362	0.000297236	2620.470024	4599.189495	2904.508304	2557.377282	4221.204817	2843.327714	4730.698218
4.18_732.8665m/z	732.8664716	4.1837	pos													676.9811193	977.4383373	576.00177	881.2539474	0.000297236	604.7619095	1062.086887	0.000297236	322.8092658	3372.259712	1483.200514	0.000297236	0.000297236	0.000297236	0.000297236	1052.257322	744.9150441	1783.332338	391.4084549
4.18_885.3979m/z	885.3978601	4.1837	pos													3444.638057	3425.790577	3306.809265	1493.109374	3456.96195	2822.759591	2396.460761	776.9951285	0.000297236	4327.029428	4166.579972	647.386127	4330.437215	4784.637919	3880.932764	4229.929434	4248.255865	3225.487926	2664.631258
4.18_912.4498m/z	912.4497927	4.1837	pos													6634.159817	5602.714968	5889.685855	3915.571654	6827.016566	2673.344825	4155.808991	5372.562289	4928.708789	5957.73763	4413.80667	3633.096286	15012.84011	9645.214196	6044.254995	5329.163491	5538.370948	6620.203903	7680.071957
4.18_923.6666m/z	923.6665818	4.1837	pos													6924.82832	5532.764059	6136.721019	4333.830814	6513.42265	6753.414425	8188.054993	1369.937842	2255.382582	9613.388547	8635.447141	971.7642634	11042.86355	14107.45326	5545.319828	6333.650502	8026.251625	4801.390338	4436.270761
4.18_923.9170m/z	923.9169801	4.1837	pos													4898.844717	7004.445366	3966.532562	3992.877772	5910.680046	5196.484954	7326.530706	3201.369243	3261.997438	7055.47401	7855.992037	903.8577455	8002.309666	8227.01378	7283.957377	4492.89011	7035.254509	4741.011996	6509.959098
4.18_924.1675m/z	924.1675096	4.1837	pos													4194.346731	3298.426802	3928.939069	2796.502694	4315.753804	3675.532332	6281.141185	1928.100218	0.000297236	5415.3008	4146.134436	595.7731584	6063.180272	7741.597036	4967.640627	3300.865969	4305.178571	3112.704344	5411.756382
4.20_169.0494m/z	169.0494313	4.204283333	neg													1148.809755	1088.722934	1057.301715	941.3825387	1108.860348	1001.974406	994.124049	1038.861729	1100.256305	849.092677	1005.154718	1239.356827	1118.80887	1106.59997	1012.579591	1024.981513	926.4036895	950.5018495	982.7019311
4.20_175.0964m/z	175.0964073	4.204283333	neg													387.5776687	416.3288705	425.4023444	242.8795046	607.6563308	328.1718968	317.5332989	1441.006271	1141.534831	382.4604873	230.8737273	405.1076102	348.946961	349.5274121	325.0256634	184.9386528	312.4850822	209.4870358	320.2657183
4.20_233.0952m/z	233.0952078	4.20385	pos													459.3042465	813.4426706	662.2081768	527.0046288	657.7493673	534.8219415	761.6730629	890.5886866	1108.273454	662.2151385	434.3827999	983.8951918	556.9215701	655.515006	662.3123873	536.9862273	577.6274438	590.5105041	492.479196
4.20_246.1889m/z	246.188909	4.20385	pos													195.717702	285.6317234	195.9659546	239.4653357	327.4167671	182.689701	322.6116816	0.000297236	0.000297236	445.5390539	113.2558035	0.000297236	338.2844887	200.9097483	282.1803185	352.9612903	297.4607974	208.4936027	342.001183
4.20_339.9396m/z	339.9396085	4.204283333	neg													444.6520553	451.9038746	391.968658	2.575574404	3.156682994	2.626880988	4.264365848	3891.97917	4399.965529	0.000297236	5.860425974	822.6338914	3.098004162	1.667676383	5.04166233	5.97957106	5.07233075	8.317897876	1.223086417
4.20_341.7157m/z	341.7157427	4.20385	pos													841.0641345	984.1392466	979.1556088	998.5329562	1210.572394	1293.478891	1151.002111	1308.047038	1175.005557	1560.568585	1348.899589	700.6043731	1126.332063	1290.083505	1080.18409	1423.8423	1127.225177	1263.805469	1156.118564
4.20_424.1159m/z	424.1158869	4.204283333	neg													223.6304865	244.9970351	274.0980377	66.86329966	116.6940205	0.000297236	0.000297236	2504.058348	1278.31646	0.000297236	0.000297236	1067.633302	66.83243673	72.7111505	0.000297236	0.000297236	0.000297236	0.000297236	82.71152079
4.20_545.6198m/z	545.6198175	4.20385	pos													399.5183637	263.5385087	475.3452454	354.8323606	501.0401425	1301.588735	544.6913955	282.802171	0.000297236	491.0525302	551.6644259	0.000297236	936.7956283	909.9293859	1052.844346	397.9121181	421.1455491	458.4663052	1207.261051
4.20_676.7972m/z	676.7972417	4.204283333	neg													2051.128541	2343.859351	2413.65071	2208.160274	1972.493516	2166.396813	2623.062091	2028.502425	1333.258061	1861.481938	2948.256908	2253.179225	2668.635577	2302.069261	2403.861789	2839.57232	2715.941568	2790.08723	2338.162209
4.22_214.0034m/z	214.0033505	4.224166667	pos													2261.752834	3459.000679	2355.934595	2902.358497	2393.090585	2285.295994	2102.244521	1856.787358	2317.373493	2215.184362	2030.155962	2838.313603	2682.848472	2648.607678	2538.638639	2606.753372	2482.928016	2555.323494	2158.093573
4.22_222.1465n	245.135751	4.224166667	pos													116716.5818	177126.4773	136987.8192	121576.6095	138853.0198	144485.1376	210189.2135	183859.8784	190743.3518	134142.9717	211403.1847	257896.7267	251009.927	193745.7721	177038.543	172977.6973	107671.2842	142094.7134	235931.4819
4.22_234.0583m/z	234.0582553	4.224166667	pos													302.5520963	295.6860299	395.7437342	0.000297236	491.0402141	327.8407282	47.63038777	595.0388573	1440.213581	221.309812	0.000297236	128.2902453	54.46392182	0.000297236	0.000297236	0.000297236	0.000297236	149.0304117	0.000297236
4.22_268.2116m/z	268.2116451	4.224166667	pos													27425.35379	36292.92902	30753.00037	23443.35177	27457.91904	28574.32978	44180.93928	40959.18411	39950.02686	28137.13927	44446.62691	50406.29586	50353.32683	38235.14165	35511.83491	35377.42102	21354.02915	28546.50464	49258.98657
4.22_427.7419m/z	427.7418931	4.224166667	pos													1507.707749	1913.403257	1521.719475	1554.034428	1628.572998	1804.914914	2237.411894	1421.705845	1020.497973	1859.918878	1900.908055	938.5731096	1700.008627	2042.276597	2555.170424	1888.325907	1636.318294	2100.929374	2754.76257
4.22_476.0026m/z	476.0026463	4.224166667	pos													1142.369029	669.5125446	1178.754389	1289.372409	1789.98507	2034.049784	784.5048217	1648.053828	601.2730507	1537.386233	1135.588586	900.3649665	671.4352891	560.7992527	751.401386	921.7158144	1053.038164	1710.168347	659.1962791
4.22_528.2762m/z	528.2761537	4.224166667	pos													827.4555619	1336.154112	1419.421837	1251.462341	1425.995799	2293.115961	1267.578983	1153.181572	959.6316593	2084.94982	1002.659826	634.8195784	3191.214043	1751.111545	1119.39186	775.7740566	1839.930267	1338.062986	2414.862314
4.22_557.6115m/z	557.611541	4.224166667	pos													1549.043616	1789.070509	1051.655647	379.4371384	934.1760981	984.3873757	1711.538745	244.1940936	0.000297236	1728.18722	1228.841131	0.000297236	823.9831593	1192.980399	644.5304215	1626.253642	639.9823862	851.2234288	1820.414668
4.22_557.9461m/z	557.9460982	4.224166667	pos													392.6172505	660.136137	710.1457588	0.000297236	251.7034185	229.2238879	896.0893375	0.000297236	0.000297236	795.8620587	0.000297236	0.000297236	401.8896094	927.1742682	574.2809547	298.1461418	277.0444539	0.000297236	0.000297236
4.22_619.0054m/z	619.0054165	4.224166667	pos													1039.931631	1700.000124	1326.335632	529.9556821	1116.845817	1085.707813	2013.453261	0.000297236	307.5345823	3692.147761	1559.988958	0.000297236	1328.660783	1284.647718	606.4009014	1087.177307	1378.644511	0.000297236	726.4272578
4.22_619.3392m/z	619.33924	4.224166667	pos													961.405995	1672.869244	1268.261208	1025.779092	1937.335324	1619.674458	2479.116494	0.000297236	360.6550863	3777.562656	1430.642378	0.000297236	2019.291016	1677.627725	1735.175027	1027.361216	1180.404744	848.8814541	1322.049913
4.22_650.0062m/z	650.0062368	4.224166667	pos													986.1342221	612.1854754	1022.988266	745.089716	636.4769734	1457.728417	1036.368767	1118.931684	325.6843084	1965.452898	1417.845072	134.0228564	531.6508134	1340.322125	975.3935011	486.1058404	638.7849287	282.0956717	2341.164599
4.22_851.6577m/z	851.6576665	4.224166667	pos													2523.10509	2496.427557	1878.419876	1846.223255	2087.390756	877.5460052	1329.469037	1095.656351	949.3894934	1808.679459	898.4309407	1653.87555	2477.713891	1239.934977	1113.406076	1272.253728	1192.521168	2014.425127	2902.304076
4.22_884.4254m/z	884.4254088	4.224166667	pos													1396.864077	1931.596915	2122.909103	888.3723153	1387.728081	2366.624614	1088.52158	528.1405533	0.000297236	1374.550016	2315.205454	0.000297236	2044.518346	3165.638578	476.8156831	1196.384862	1102.829684	981.134488	2901.870926
4.23_134.0597m/z	134.0596645	4.225533333	neg													118.8402221	103.1501307	90.46306419	67.91707292	139.0579644	602.0987368	84.84804502	70.28450142	65.48194924	251.7972958	48.50649397	38.47834213	43.08607953	16.61220294	108.1010055	63.54843196	74.08275128	25.9559611	46.66404903
4.23_246.0381m/z	246.038091	4.225533333	neg													4025.062384	4272.845357	4157.703559	2882.168163	4655.149264	19310.64123	2927.813718	3501.62676	2965.156812	8873.256476	1948.14107	1718.623472	1694.701429	1116.549662	4315.593774	2112.812209	2881.783301	1357.798173	1905.359236
4.23_263.0284m/z	263.0283731	4.225533333	neg													888.3847353	1012.689664	986.3108009	853.1613078	1508.909333	5055.613851	722.4991283	743.9116758	535.7012234	2098.765538	473.9461506	491.5400825	407.6395633	343.7055611	1144.196123	514.9571043	760.7788411	402.9410005	511.2634344
4.23_314.0259m/z	314.0258767	4.225533333	neg													1620.766859	1624.74789	1669.123075	1160.425318	1946.595424	8842.41096	1186.145143	1485.12733	908.367322	3863.69402	889.6987598	620.2525681	788.9058513	391.2075333	1982.636182	907.3037155	1314.864077	562.1785862	862.5826143
4.23_317.0575m/z	317.0574684	4.225533333	neg													174.7390256	122.8379627	163.6915092	0.000297236	162.9197395	71.96809825	0.000297236	267.87106	736.3281253	63.54982186	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
4.23_318.8713m/z	318.8712826	4.225533333	neg													2015.021112	1639.262179	1815.077513	1899.866974	1859.154529	1524.260382	1745.955189	1707.895008	1847.355825	1583.702238	1830.944778	1607.618116	1736.84278	1838.421044	1973.860664	1429.838697	1858.007497	1831.512057	1689.771631
4.23_355.1144n	354.1071046	4.225533333	neg													1384.63328	1557.879826	1301.676247	1108.360042	1773.010892	1437.712551	1756.640743	1571.446026	1682.916191	1849.754978	1453.545977	1659.169238	1535.714941	1623.184411	1249.511355	1160.31805	1293.0012	1207.828346	1487.433332
4.23_382.0133m/z	382.0132562	4.225533333	neg													881.6520599	1032.71238	1079.869961	739.5722192	1310.536243	5576.631923	776.6170075	1195.785544	597.7854188	2337.326012	403.0521055	424.3319852	398.7183878	269.4694473	1060.185338	661.3049235	707.580034	278.2875254	630.2828206
4.23_402.1337m/z	402.1337313	4.225533333	neg													1857.294369	1848.683493	1956.924549	173.4413849	487.9178738	473.7165004	627.9234978	12403.70839	7731.609063	349.245307	431.6989923	4948.868848	515.3449227	406.5242797	355.6268556	326.146474	381.6621715	99.89808511	290.7103367
4.23_422.0947m/z	422.0947307	4.225533333	neg													700.4723166	695.9208234	539.2260291	526.0840147	807.4631325	764.7809098	876.991368	745.5111474	988.53727	795.5477821	652.9061386	730.3821615	893.766773	658.8967007	715.405049	618.2278006	815.1871309	618.7809102	732.6195529
4.23_443.1670m/z	443.16702	4.225533333	neg													89.24222106	109.4921826	94.29753113	0.000297236	487.7236769	963.3023684	0.000297236	79.1085675	0.000297236	1225.712609	122.6790964	0.000297236	0.000297236	0.000297236	81.51845158	0.000297236	0.000297236	0.000297236	0.000297236
4.23_445.0624m/z	445.0623709	4.225533333	neg													1381.007436	1441.964949	1394.922848	1495.792203	1245.732456	1350.704085	1745.757686	1236.880705	1486.1023	1519.29494	1675.421636	1429.759623	1533.491066	1418.446286	1310.190344	1541.311273	1226.484983	1417.643334	1008.567645
4.23_450.0004m/z	450.0003791	4.225533333	neg													624.1317142	571.9195113	543.2407989	537.3465113	726.7108196	3467.516831	474.1886929	555.0010359	318.1544056	1309.024754	174.2954472	153.1263633	266.692641	212.455817	636.6374797	362.0829329	621.7436489	130.2233069	418.693206
4.23_503.1995m/z	503.1995377	4.225533333	neg													906.5965488	573.9698223	799.7561861	803.5022189	934.8044771	719.7634597	541.107915	747.0427606	777.0010289	831.297596	910.9519348	469.1439322	563.6777878	351.8431394	548.5724466	681.5618508	892.247838	731.3148357	417.3776445
4.23_517.9880m/z	517.9879761	4.225533333	neg													306.9549694	359.3801593	265.0879593	255.5817018	309.1315739	2287.454066	218.2699417	369.5259943	144.2773496	693.1278344	0.000297236	115.2995098	105.7855885	96.40146202	151.6266063	241.8702838	114.8234864	0.000297236	99.91596925
4.23_537.3042m/z	537.3042395	4.225533333	neg													2730.409429	2130.354177	2277.32777	2275.369292	2799.508912	2433.085458	3197.266507	1615.12582	1123.061023	2343.943401	2976.043702	820.2634861	2762.111644	2582.032786	2074.61355	2401.874665	2574.688479	2083.001375	3100.201068
4.24_235.6703m/z	235.6702958	4.243883333	pos													411.3420338	385.8628258	317.4786899	276.360825	477.8794468	541.7167566	741.7507425	255.4050528	184.855572	324.536855	265.8009016	164.4089384	579.5710459	395.3740615	522.0108221	330.1613702	393.8570625	299.8497783	544.9991446
4.24_252.1571n	275.1463248	4.243883333	pos													2619.097187	2939.993096	2646.988521	1162.968401	3469.451216	2582.655788	3299.684263	3924.637528	2361.617833	1525.176664	2379.275998	2239.553995	1614.047489	3379.487899	895.2196681	2329.872872	2517.589206	1612.003593	3254.428295
4.24_259.1150m/z	259.1149556	4.243883333	pos													1417.287941	1983.533018	1597.555072	1601.536613	2262.672866	1891.1749	2787.325336	2898.832046	2155.800115	2048.086329	2205.863623	2708.517604	2896.506125	2903.35195	1689.126142	2447.390731	1786.920164	1818.155283	3229.567382
4.24_444.2571n	467.246348	4.243883333	pos													2022.303644	1552.715382	1984.399023	396.2212678	69.33095838	108.4230101	253.3868936	102.0548041	154.0466109	191.8484625	40265.50868	30.81149083	0.548490957	37.6973533	118.7457465	167.7874883	279.9630813	164.5281713	415.9767474
4.24_456.7555m/z	456.7554505	4.243883333	pos													1868.199054	1707.712317	2255.657581	1836.192375	2347.108548	2124.920327	2382.490871	768.4278065	664.4404214	2044.122233	2084.387881	925.9700859	3218.776245	2121.949353	2425.69217	1816.248718	2069.194592	2131.386388	2974.522624
4.24_565.6026m/z	565.6025789	4.243883333	pos													8587.214192	7544.786093	9744.030684	6242.212651	5465.001773	5543.476293	7032.908184	6760.099465	5498.26691	8196.15185	3646.090413	8822.83427	9279.466117	8230.598415	7028.63587	8461.726119	6984.205773	6256.133032	7813.917303
4.24_565.9369m/z	565.936867	4.243883333	pos													6470.745985	5864.378271	5405.867477	4294.144528	5144.629112	3956.538787	5118.151745	4440.772118	3613.739927	5078.963769	3793.492648	8313.057104	7334.093932	6257.231544	5327.756929	6529.38446	6442.07163	6220.209405	6345.188116
4.24_566.2708m/z	566.2708331	4.243883333	pos													2544.000525	2299.980029	3776.491685	2167.473343	2701.816671	1523.885517	2186.235598	2068.898111	2385.986513	3276.338511	1670.240885	3088.897132	3844.27532	4004.910933	2206.926762	3956.652334	2980.171295	2134.761225	3382.845584
4.24_616.0851m/z	616.0850857	4.243883333	pos													943.7292283	1119.38685	820.9306183	1050.169271	2073.238339	374.5968055	769.6461325	2414.757667	2485.241719	1901.260372	2098.017669	1814.549796	694.3970034	0.000297236	1424.410169	722.610728	1182.369177	943.0777493	0.000297236
4.25_131.0699m/z	131.0699348	4.246833333	neg													4149.447309	4290.063785	4360.716828	3280.426904	3812.813834	3309.456277	3686.292262	6771.678607	8877.230524	3209.18263	4657.556712	4485.918775	3924.371358	5083.495094	4469.713608	3723.988219	3609.519748	3336.426791	4457.980491
4.25_199.0577m/z	199.0576793	4.246833333	neg													2786.602783	2931.856747	2937.324144	1819.8204	2534.456784	2043.491472	2471.978231	4717.501941	6798.22071	1830.379175	3116.841439	2868.758735	2548.738031	3489.535778	2997.268786	2217.398759	2402.872072	1762.414207	3265.795241
4.25_226.9653m/z	226.9653473	4.246833333	neg													14023.09888	12798.43473	13772.00269	14350.04188	14978.65953	15549.14496	15328.34359	14366.26829	16989.96144	13613.36541	17208.57877	12842.51487	14629.44815	14310.27569	15240.22397	16322.78026	15470.80545	14953.14245	12816.33567
4.25_274.1119m/z	274.1118663	4.246833333	neg													1169.393052	1625.260413	1195.48406	916.9873126	1666.165326	1055.622431	1032.89183	3440.416881	1909.355399	932.5936623	1000.729902	980.0520487	1182.957201	1282.128376	1241.202139	916.3442796	1099.491304	1394.596299	1143.247344
4.25_294.9657m/z	294.9657337	4.246833333	neg													1316.611584	1571.157938	1378.849907	861.5785011	743.487651	981.2980128	807.1186512	3315.516851	3046.373404	948.624172	1044.36586	2821.470825	670.2244732	785.6708565	1127.325763	792.804204	999.7173499	992.730478	968.2620932
4.25_320.9153m/z	320.9153171	4.246833333	neg													1226.426217	1186.137888	1167.061693	0.000297236	0.000297236	0.000297236	0.379341339	8863.547082	9378.933905	0.000297236	0.000297236	3334.993199	0.113346263	0.582032358	0.000297236	0.54289132	0.000297236	0.000297236	0.000297236
4.25_335.0337m/z	335.0336737	4.246833333	neg													851.1334535	753.5263383	865.8874612	636.9261408	741.799873	613.2858481	922.5274228	1515.574352	2273.056748	602.9630054	1115.101501	989.1649022	743.3478794	1207.381613	933.470291	736.2723108	758.1794799	555.1746995	1118.610582
4.25_388.9026m/z	388.9025605	4.246833333	neg													87.61519846	87.4820093	104.1155684	37.885585	90.36160275	95.6842921	0.000297236	1963.441585	2238.383901	31.22720582	45.03765819	753.3906929	118.9583108	50.32641225	33.07488722	45.536749	0.000297236	27.21673616	41.8267165
4.25_403.0207m/z	403.0206684	4.246833333	neg													500.7534427	724.7321634	511.3503036	318.7399688	478.7594504	349.1114015	448.4966789	1087.976419	1421.973955	292.5024662	607.802271	450.7011725	457.4487025	798.1067648	624.6388465	555.8367022	429.7879441	412.0077003	644.0900272
4.25_667.7849m/z	667.7849075	4.246833333	neg													559.9385086	787.336642	899.9042808	762.8151136	654.8183767	620.1860509	973.0497109	954.3204292	758.2656897	1095.943213	501.6062974	1017.2029	1330.582729	1136.905168	920.4675908	860.8521335	1260.081096	625.5298761	902.5774989
4.25_668.2860m/z	668.2859873	4.246833333	neg													467.8142489	457.1635709	497.6413803	263.9022845	345.4420148	261.5399343	696.0407154	372.3974963	473.8092402	700.086132	343.576225	943.9953226	891.497787	429.268278	527.8175825	392.1771093	619.2356038	179.4520416	522.9254545
4.25_845.8857m/z	845.8857269	4.246833333	neg													1591.666147	1081.296375	1118.163996	1081.345616	1211.170371	1045.349025	1401.910796	727.6741421	324.8758286	1210.903238	1020.640955	1455.31214	1918.517197	794.6015964	1906.099564	1797.245412	1518.773233	631.0058411	1236.574809
4.25_846.3870m/z	846.3870498	4.246833333	neg													873.295783	1091.700754	1101.676425	605.7293381	477.3929234	464.7755425	1027.007062	797.3689012	675.9579485	1294.175289	813.3101389	878.9861796	1138.371651	823.6830461	974.5717675	1228.185767	886.729946	489.9319777	1089.940434
4.25_889.4026m/z	889.4025941	4.246833333	neg													1453.349319	1738.449329	2282.04478	1571.000207	1802.45596	1946.626385	2836.339341	3075.453884	2416.821937	873.5895977	1290.232812	3226.78031	4186.331771	2454.9066	2494.866639	1401.663634	1923.203662	1535.73602	2404.030894
4.25_889.9037m/z	889.903708	4.246833333	neg													1210.009937	833.0640255	933.6267548	1070.536628	912.3884629	1378.451109	1495.791695	804.6606323	1638.582645	639.3544333	1261.43307	1906.005035	2544.807795	2093.938828	1605.880965	1429.973425	1514.011039	689.3150396	1134.615377
4.26_296.1832n	319.1725322	4.26365	pos													11395.73476	9111.354	10321.3363	2659.65772	23307.79238	10189.03844	16289.57274	27147.45016	4758.081249	6716.9951	5091.774731	11419.57754	3464.615301	6514.091022	2282.615808	13518.40804	3996.49778	7879.133191	40152.12012
4.26_360.2124m/z	360.2123903	4.26365	pos													6154.838542	6209.175975	5641.598292	6866.80524	5865.492978	4252.1898	7669.705566	3279.313517	4172.346051	4511.348063	7367.233376	6222.642915	6571.827514	7252.87198	7151.342641	7596.115496	6814.108864	7100.280865	7458.297294
4.26_478.7692m/z	478.7691601	4.26365	pos													913.7940854	668.8339142	775.5545044	244.1275029	865.6999322	711.6791322	1282.123063	215.6150773	181.1376422	779.8737163	318.6427239	0.000297236	845.7450049	1244.263157	1121.616308	1169.114562	879.8257003	340.5216173	832.362822
4.26_479.7183m/z	479.7183045	4.26365	pos													948.8677328	1171.956615	1380.539799	1030.758552	1262.203524	1128.172246	1054.159145	1656.999746	1503.000059	1223.487339	995.9312654	635.2158285	620.2187496	619.7861126	1034.942715	1504.793457	683.424484	1130.000546	1035.474715
4.26_493.7030m/z	493.7030254	4.26365	pos													1844.393219	2325.197657	2386.848961	1494.186685	1507.244031	1373.801716	2274.697553	2106.587606	3038.549404	867.4858926	2048.707712	4748.486559	1841.400351	1918.762415	2171.019724	1680.40977	1812.668544	1540.620923	1765.610959
4.26_494.2046m/z	494.2045574	4.26365	pos													551.5753855	950.5221744	634.4190853	587.6004292	927.7275732	501.4041829	450.9304337	1052.465976	1006.770097	506.409558	873.8771177	1847.249356	935.4030095	880.895485	693.7899637	909.6363701	948.1370815	923.2264632	799.8571838
4.26_516.6087m/z	516.6087455	4.26365	pos													2361.017159	1423.003459	1867.405118	2075.887919	1152.727479	2445.586935	2019.198683	1139.613543	711.0657872	1900.605042	1570.663531	737.7397313	2430.823623	3492.32558	1302.391934	1168.926363	2254.183893	1541.995107	1687.80543
4.26_516.9431m/z	516.943111	4.26365	pos													1152.032902	1185.231218	1700.521545	1367.040051	1397.25578	1747.498904	2231.921101	672.1841782	1284.453599	1843.633812	1735.514262	469.8196349	2074.907429	1717.643615	1552.690937	1154.983916	1202.845865	1168.58663	1326.47832
4.26_517.2775m/z	517.2775142	4.26365	pos													633.3888167	850.4161893	1100.445779	1127.324111	914.2856164	992.9948025	1243.25267	249.8631653	498.6367523	1153.807227	614.8003133	423.922498	1586.919014	788.6812881	753.151742	522.8051755	910.7366371	435.283442	938.1758133
4.26_594.6133m/z	594.6133394	4.26365	pos													12345.98296	10612.73602	12302.87238	10087.6855	8910.304822	8484.110222	9937.954824	9377.131458	11999.48115	5845.660043	8369.265069	16575.9672	18196.43558	16670.19328	9124.717118	8519.76022	9388.46298	8829.725838	9895.887797
4.26_594.9476m/z	594.947574	4.26365	pos													8927.065238	8490.295117	8227.476764	8377.020211	7035.757706	5733.654629	8023.532489	7980.435022	10275.1793	5249.546188	7017.245223	12976.83178	15176.5172	11717.96003	6604.528196	7765.260249	10105.10512	7480.221361	9007.740523
4.26_595.2817m/z	595.2816967	4.26365	pos													4687.836378	5147.273375	4943.539474	4594.696419	3593.916588	3412.019666	3833.976826	4815.831617	5826.706321	2379.234507	4129.556812	6295.59192	8078.554346	7148.634489	4326.005622	4063.791335	3336.101546	3768.983948	5948.390227
4.26_752.3741m/z	752.37405	4.26365	pos													4159.241738	2466.974701	4316.154034	1899.418002	4520.873186	3269.577815	4670.722299	2980.616425	1157.68003	4181.187647	6464.239089	1464.804587	1452.788143	1551.951506	2425.963244	1895.916549	3751.023493	2485.092309	2102.760604
4.26_752.6253m/z	752.625347	4.26365	pos													2270.361119	3689.467634	4197.888184	3700.446053	4500.388176	3955.497765	4096.407047	2482.166093	3448.391592	3496.076896	6387.323602	1156.912891	2286.621811	851.3305524	2026.666086	2815.536418	2530.198385	2626.286167	1873.301362
4.26_766.6305m/z	766.6305156	4.26365	pos													1358.905029	2068.257977	1495.161392	3663.652334	3146.948744	1883.035634	4218.500633	1495.354229	756.5919398	4364.477984	2993.04771	0.000297236	1935.028762	1343.99898	2004.651428	2490.191101	1542.806791	2206.680687	1163.964898
4.26_766.8804m/z	766.8804396	4.26365	pos													3097.884406	2672.729692	3313.33006	4601.837417	4223.999031	5352.925739	3985.803768	1898.501254	696.7160107	4832.308454	3680.549378	0.000297236	2748.218436	1855.884028	3871.434874	1842.520678	1813.490329	2285.841982	2480.249501
4.26_767.1311m/z	767.1310913	4.26365	pos													1983.629791	2781.305187	2524.087097	3010.854594	3255.882141	4552.809747	3227.346071	1080.902891	1036.27553	4237.982599	4158.091333	356.5758981	2311.754292	1344.277766	2623.897994	1784.066825	2027.256326	2364.77078	1500.15579
4.27_191.0373m/z	191.0373017	4.267633333	neg													224.3911291	196.556091	194.2366789	133.0036991	448.4558672	144.9211404	133.5859993	99.62530814	39.45385499	185.8468926	160.2419182	244.8923766	294.5350035	251.2204329	193.7539368	107.6673998	258.1706434	360.731268	283.0783774
4.27_196.9405m/z	196.9404994	4.267633333	neg													742.4628997	636.5288959	740.0403502	933.0743606	695.7458511	874.8810688	827.7436845	1030.617925	997.3383371	827.57486	825.5572537	1074.923578	915.5592591	795.5410218	913.6774328	789.0437713	731.8147518	927.9021899	912.4822389
4.27_232.9174m/z	232.9174358	4.267633333	neg													4925.97006	4448.997867	4773.635705	357.4047255	367.3956321	309.0786706	373.8443613	30734.48108	26037.37848	283.671466	372.5960786	19119.39846	245.5773297	365.880849	417.1439462	378.9952886	342.0975624	339.0515639	312.4455207
4.27_234.9146m/z	234.9145797	4.267633333	neg													4887.621082	4732.135885	4694.322155	31.59531897	24.33129223	29.59005049	96.9199212	30525.48631	25784.33785	72.33166979	25.20298563	18773.26789	42.44753591	27.21138463	34.55780697	73.72821336	0.000297236	28.48941757	33.04898332
4.27_236.9116m/z	236.9116341	4.267633333	neg													1460.501941	1314.495497	1492.211588	22.6098884	33.39560766	16.9878105	48.43755855	10229.60806	8895.106865	12.0490805	50.46599464	6256.050248	13.35227034	46.68395991	50.02848962	21.03555038	51.57870247	37.61492812	58.32353923
4.27_259.1298m/z	259.1297814	4.267633333	neg													262.138588	192.478654	286.4385138	62.76881604	205.1427569	141.1267507	287.1352523	1201.665082	808.1668817	148.6423767	95.34132924	695.7879205	155.2205228	169.9824176	94.6271577	152.1541051	54.51987214	47.48310508	99.27592605
4.27_270.8820m/z	270.8820046	4.267633333	neg													540.6293213	585.3255809	492.2949648	0.000297236	24.30356497	27.63882824	0.000297236	2734.402496	3408.121806	28.46325398	54.18009064	1392.731918	0.000297236	33.84561417	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
4.27_278.9708m/z	278.9708474	4.267633333	neg													12273.8213	12662.11159	12084.86363	14593.08802	14619.91608	14184.3503	14727.74085	10953.85202	10738.79061	15433.75046	16061.80257	11325.57773	14119.20666	14117.16498	14727.78498	15475.18833	15033.92387	15454.93329	13466.44623
4.27_300.9053m/z	300.9053252	4.267633333	neg													1751.752396	1828.332333	1517.440161	939.1066373	833.2850405	849.6142816	890.000707	7600.709603	6213.179166	741.5268202	972.0909925	5020.031679	985.7930242	843.8793198	844.9821267	891.0419568	856.1860704	890.7406121	1093.583278
4.27_332.9220m/z	332.9219936	4.267633333	neg													1634.294228	2042.145505	1926.96986	2132.20954	2172.208784	2306.092877	2108.693207	2138.870138	2397.783742	1907.276539	2283.70859	1983.214772	2026.45986	2087.071208	2249.490002	2044.214382	1972.133209	2119.988783	1752.363643
4.27_358.1983m/z	358.198313	4.267633333	neg													2331.82812	2196.703947	2256.590513	3003.044998	2169.38219	2048.351904	3949.68367	1476.982363	1456.069697	1566.253505	3055.649481	1970.573883	2800.52921	3010.340609	2343.831777	2392.256963	2571.301622	2792.523046	2763.165289
4.27_380.1805m/z	380.1804945	4.267633333	neg													453.63748	475.4607773	355.3535486	671.0585559	769.9323623	399.9844693	1009.909859	149.3270229	305.654345	461.6037633	730.5186139	489.9222218	809.4913988	521.2371815	536.0091327	511.9113689	669.3931005	697.103055	536.2783629
4.27_438.1266m/z	438.1265539	4.267633333	neg													1989.369626	1921.911034	2110.332993	2555.893818	1887.843792	2303.967705	2177.602001	1742.642573	1478.789771	2236.779608	1622.843406	1967.094547	2373.158986	1839.390312	2535.180812	2217.676536	2058.001651	2941.787828	2217.064277
4.27_444.1256n	489.1239421	4.267633333	neg													12801.15011	12687.62001	12819.09028	16102.53977	11382.29969	15958.34241	13085.8666	10501.05798	12466.35725	13243.36245	13407.78518	13543.51749	13351.57842	12000.90151	15404.77591	15394.8298	14914.14787	18252.70704	16152.88544
4.27_444.8907m/z	444.8907479	4.267633333	neg													5263.09917	5704.31643	5268.783107	5979.825068	5344.61363	5285.986931	5364.339623	4980.218049	6346.045589	5683.895692	6185.210365	4588.617509	4720.150831	5313.405748	5378.54094	5548.271565	5670.520881	4921.040472	4941.323251
4.27_512.1130n	511.105682	4.267633333	neg													5486.414506	5706.438255	5495.060622	7547.392987	5301.817503	7315.213469	5731.144473	4535.677906	5189.41823	5652.172693	6016.515383	6367.424754	6084.565314	5599.264902	7102.158797	6327.31002	6228.444909	8389.5427	7291.768933
4.28_1028.7476m/z	1028.747617	4.284433333	pos													4818.153643	5900.415681	3598.782776	2835.140923	5223.029917	1967.99697	3102.759453	6947.208895	3573.580222	3720.246632	2487.384652	4604.10442	3563.789083	4198.30343	2782.272454	4574.26587	631.6361042	3851.682883	2414.12331
4.28_1028.9140m/z	1028.914027	4.284433333	pos													11999.6673	12002.61406	10994.50256	9321.316182	10820.38443	7569.716526	10128.40022	19368.34893	17053.04922	12961.08859	11911.01649	17689.78045	8671.36252	8316.774895	6192.717547	10892.96116	10246.76274	7797.564289	7291.609228
4.28_1029.0808m/z	1029.080799	4.284433333	pos													14871.76486	15653.70515	16349.18465	10121.43347	14866.35453	14148.4149	15150.27512	25824.17628	17770.22685	13029.2779	12956.87835	17239.46871	10995.33651	12186.66405	9324.318505	14153.45333	11802.66346	14791.12846	8517.494072
4.28_1029.2482m/z	1029.24817	4.284433333	pos													10484.72555	15688.9406	10026.72412	10213.39842	13561.02548	9244.169405	12351.68213	19852.10059	16827.63251	9535.713272	13162.93449	16370.3279	12520.17459	11014.37414	11018.51283	14385.73801	9274.716928	12289.49991	9639.533855
4.28_1029.4147m/z	1029.414733	4.284433333	pos													12061.45769	13272.54542	9789.941278	10689.45111	15052.41349	10545.82112	9849.519297	19551.1128	13999.56031	15131.65693	13782.84808	17946.10289	12031.52129	10007.96056	8398.80463	12682.35597	8100.071436	11390.13039	4694.99519
4.28_1029.5818m/z	1029.581785	4.284433333	pos													10453.37588	10441.09955	6977.408691	7568.049527	7637.522913	6069.351341	12188.91519	13730.65656	11851.03156	9864.581029	11612.54989	14485.9425	6828.772912	7554.558498	6921.748894	9663.892582	8744.918713	5791.711868	6641.128836
4.28_213.9827m/z	213.9827153	4.284433333	pos													1702.962312	1593.697197	1502.971201	1569.273126	1451.546781	1446.80695	1380.249167	1531.759185	1595.88059	1677.83916	1433.390274	1652.918345	1541.078507	1660.947646	1539.488692	1798.823857	1509.76741	1615.389445	1506.48866
4.28_236.5491m/z	236.5490859	4.284433333	pos													2356.467863	2498.051267	2599.930885	3026.488667	2256.826134	2798.635862	2269.088805	2159.646938	2033.757622	2508.653658	2578.3079	2698.713911	2606.210981	2556.354996	3391.054305	3051.441853	2715.608714	3401.988403	3057.570153
4.28_237.0507m/z	237.0507355	4.284433333	pos													628.905945	376.0458188	598.0221024	519.3286281	495.914574	659.9337465	251.1321163	379.4540622	340.8244186	553.390232	621.4470959	553.1547614	451.1103678	473.0927539	536.7563225	764.401447	475.4993917	494.9958412	595.5901177
4.28_342.2484m/z	342.2483764	4.284433333	pos													3014.133741	1727.059315	2534.842133	474.037341	5453.010962	2653.525889	3566.495307	6710.085067	904.2299767	1583.148019	1013.464392	2582.152547	598.1416319	1533.689435	189.3620535	3364.01091	596.205216	1849.242464	9571.209956
4.28_379.1509m/z	379.150862	4.284433333	pos													2034.572109	2256.876014	2014.17613	2347.616143	1654.162016	2226.359757	1583.843534	1619.465694	1496.23417	1853.958388	1799.615998	2361.461616	2056.367539	1789.534795	2542.364656	2525.96857	2084.787999	2728.003098	2164.19284
4.28_416.2852m/z	416.2851852	4.284433333	pos													7263.811092	6298.324892	6988.506501	6026.797349	6037.371402	6939.943615	7021.061904	6280.805431	6211.732666	7578.048572	7854.991454	5780.934705	4924.021956	7576.652437	6436.731888	7314.374218	7799.622984	8458.728155	6280.854119
4.28_502.2623m/z	502.2622567	4.284433333	pos													2111.686159	2207.666154	1466.089865	2484.262883	2833.565235	1200.091661	3300.766783	1406.509112	1543.523392	1385.286534	1892.686763	2726.478198	4877.3841	3632.662869	2046.933185	2430.688186	2060.884054	1711.670029	1577.890456
4.28_502.5128m/z	502.5127756	4.284433333	pos													2385.361915	2338.494612	2490.152396	2454.428182	1869.577329	1674.226724	3075.336005	1548.829459	2004.073087	2147.069969	2284.863875	2841.821655	4302.615942	3175.302398	1637.267553	2011.497877	1752.523669	1403.831607	1636.69305
4.28_502.7632m/z	502.7631916	4.284433333	pos													1347.712	1448.386269	1359.979507	724.1620042	1763.999465	384.0574664	1678.813163	774.625835	262.8698357	1235.621628	1068.226881	1505.315544	3042.783814	2128.036202	1071.320035	1750.322766	985.1424662	1302.259467	1104.231821
4.28_564.6371m/z	564.6371112	4.284433333	pos													848.0999868	1217.608849	776.9499817	1792.726444	524.6084614	668.1338071	805.7548034	788.7082758	1105.329699	1337.528838	1078.032993	0.000297236	0.000297236	417.020284	0.000297236	799.8421017	0.000297236	960.9222722	676.9264148
4.28_663.8554m/z	663.855375	4.284433333	pos													1203.883598	1375.723571	1084.604858	1854.833025	746.8291052	693.2797263	1207.669938	4516.076768	2727.088978	936.9731659	1062.630011	943.0112127	0.000297236	494.8328594	474.1882772	1214.286259	811.2106893	531.2302804	746.8922811
4.28_821.7457m/z	821.7456963	4.284433333	pos													10270.7066	10359.55252	14797.63039	10185.78304	10127.45699	5922.358215	11859.19856	3778.693461	3734.027554	9524.072452	12150.80434	5001.922444	16854.73678	16231.38051	11964.37246	15902.29494	10585.29306	11990.76979	23374.89494
4.28_822.0799m/z	822.0799419	4.284433333	pos													11842.939	10718.39548	10073.09674	8288.183113	9320.371308	5580.76679	10887.99354	4243.074811	1988.841334	8381.15607	12317.11253	5435.495078	19738.38218	14939.47823	12074.39505	14690.36307	11413.07199	14238.93321	18581.82219
4.28_822.4142m/z	822.4142125	4.284433333	pos													7501.252882	7612.703109	7579.464604	7058.438487	5005.19201	3462.964595	7513.701504	2258.282934	2691.510042	6682.439352	7493.503139	2590.15979	11701.60937	10306.73432	8346.072182	9207.910628	7461.965204	10022.34398	12148.48157
4.28_850.7563m/z	850.7563498	4.284433333	pos													2469.450196	1670.334759	1866.901062	1474.869793	1984.843646	1712.11782	3455.999578	652.9772614	540.7079513	2186.261245	3383.513723	626.4142924	3048.26364	3605.065763	1931.403271	3303.097112	3104.742431	2397.208202	5174.571491
4.28_851.0898m/z	851.0898217	4.284433333	pos													3720.055163	3758.900834	2506.153076	2858.73812	3260.450133	1210.015536	4129.25946	632.9923358	811.6044545	2049.20392	3361.634139	1108.792671	2881.276655	3053.70346	3668.771338	4909.753148	2353.820136	3914.471169	4089.776361
4.28_851.4243m/z	851.4243489	4.284433333	pos													2020.638791	1855.37201	2100.872179	2306.777535	1880.126984	761.9979052	3000.114371	480.0066378	456.341908	723.1918417	2703.684393	0.000297236	2982.12542	1294.746948	1384.106848	2361.125652	1960.564848	1891.034956	3464.9383
4.29_233.0063m/z	233.0063205	4.288083333	neg													2588.555927	3087.74428	2819.240842	2965.135152	2659.455666	2934.710557	3098.47334	3129.096518	2823.072134	2828.999538	3419.670134	2770.740552	2773.283383	2779.366567	2917.556552	2704.256496	2906.181032	2932.938816	2867.123923
4.31_150.0005m/z	150.0005359	4.309783333	neg													5470.370364	4817.011164	4961.887941	5018.256077	4709.41885	5257.038863	5068.0201	4867.147836	4698.524812	4743.308773	5225.877883	5244.984138	5302.44992	5477.462908	5406.156488	5603.047494	5126.934263	5795.117045	4673.820669
4.31_165.0181m/z	165.0180962	4.309783333	neg													19236.25745	18943.72849	19398.35648	19888.03749	18699.17041	18443.79291	19091.22687	18802.67664	18304.07023	18731.43041	23333.16404	18400.01312	18804.32967	18556.92876	19347.59209	19865.99181	18958.08587	20085.47343	18606.13939
4.31_415.2198m/z	415.2198174	4.309783333	neg													965.6651149	1051.791154	928.8522335	830.9812288	1240.747934	1224.2384	1449.025268	553.8569773	427.0029446	1277.557384	1206.354523	474.6994303	2056.6943	1694.031384	641.7653136	822.0252208	1186.451275	535.0932781	1175.355308
4.31_431.1531m/z	431.1530911	4.309783333	neg													326.2715973	375.0587037	246.7901306	64.59764341	144.981149	291.9023015	0.000297236	1865.617524	1169.878563	358.3885091	189.4047543	260.0330536	174.2950819	60.81976582	0.000297236	58.11293098	72.36569321	68.25980636	89.13387437
4.31_432.2098m/z	432.2097721	4.309783333	neg													530.3455706	297.7071869	484.85215	340.4638156	914.5028626	830.3889361	989.5815694	180.3420255	238.1406822	839.891267	608.8333343	265.2451026	1640.245136	1144.521201	343.9992156	401.7606584	948.2545195	244.9560168	709.2148126
4.31_494.5148m/z	494.5147822	4.306116667	pos													609.4133182	853.4802337	582.5018921	966.4765211	696.4260746	942.1946425	907.3395601	1469.09651	1006.018203	975.1849044	1136.937826	318.1920452	299.4684184	385.8714266	203.1446437	258.2952309	537.4741106	950.8019971	184.3731518
4.31_506.5068m/z	506.5068292	4.306116667	pos													5043.270316	4574.270347	3631.871117	2194.922991	5074.373045	3728.933048	4235.319063	3734.5602	4794.149143	3882.431315	3115.757461	4986.369831	9261.690148	3597.212038	5003.186547	3463.861999	4340.588452	3112.078079	4091.536459
4.31_506.7575m/z	506.7574727	4.306116667	pos													5361.374256	4489.477108	5203.291084	2521.257518	5244.720077	4082.086654	4967.091926	5269.964261	4681.151373	4440.931864	4095.448671	4953.182395	8810.265687	4027.413653	3810.108898	3303.944414	4016.357527	3233.802041	4196.907119
4.31_507.0081m/z	507.0080567	4.306116667	pos													2727.632999	2255.53999	2466.786316	1583.330512	3126.841613	2589.025578	2522.299845	2514.689677	2402.580021	3169.323812	2449.471991	3114.896056	5739.361271	3199.022129	2604.117234	2262.795642	2481.508837	1376.692599	2784.996155
4.31_518.0169m/z	518.0169288	4.306116667	pos													646.087349	698.7250083	1064.559807	539.5141497	413.0976743	667.8680903	565.4788828	202.1621633	292.2944822	916.6868716	367.6492902	975.1905708	449.4955748	429.9417058	706.2613813	856.0162182	1093.914532	599.0822988	1169.946759
4.31_606.6545m/z	606.6544703	4.306116667	pos													932.770245	1122.182339	1406.706887	678.660088	871.3257189	519.9085895	1115.743367	851.8779096	307.6251362	1563.987302	678.7056436	343.5562327	3369.070587	1394.271724	629.7189227	637.9802838	710.6831624	493.8681377	623.874699
4.31_606.9883m/z	606.9883169	4.306116667	pos													647.9580464	913.1680736	628.4246216	302.9558406	962.8884587	986.598975	1023.889992	797.4368149	441.9219594	1065.13411	697.1618662	381.2581749	2048.98604	553.2359037	1526.757371	800.9102328	1187.715973	648.9180963	571.6091837
4.31_807.8969m/z	807.8968783	4.306116667	pos													2898.421631	2508.468019	1968.490295	2380.730951	2961.944545	6018.498664	3124.954986	4154.444548	2059.325576	7188.267892	4960.150159	976.0183544	842.6182075	1441.538613	1658.40702	1442.406766	1473.486436	2167.953914	489.8346569
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4.35_176.9718m/z	176.9717696	4.346933333	pos													2062.635453	2643.997594	2381.230695	2405.897532	2103.281147	2221.307524	2474.666404	2205.130512	2174.518211	2363.552006	2265.400429	2620.939526	2538.931085	2554.737853	2815.683639	2774.81672	2423.10435	2628.129783	2185.195302
4.35_242.0915n	241.0842452	4.351383333	neg													51343.62533	55622.17498	51630.49927	32650.04273	28950.09274	28705.75885	40439.77689	27443.16251	145805.2998	36418.86569	36057.2389	86050.34524	149016.6664	30859.50851	30202.42004	33047.98454	59436.28627	38748.19056	50350.78498
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4.35_287.2213m/z	287.2213369	4.346933333	pos													7846.726689	6313.371638	6170.086785	6819.060409	6397.898566	7281.31588	6562.958775	6730.251006	6521.060031	6128.704034	7108.245998	7218.8279	6571.911818	5716.666018	6623.55942	5920.906258	6714.063905	6633.421967	6324.34266
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4.35_314.9323m/z	314.9322621	4.351383333	neg													1809.802034	1996.199283	1826.151225	2001.379114	1799.439362	1791.153442	1716.590007	1944.813147	2111.137633	2039.032867	2473.338185	1978.121692	1751.724802	1339.316549	1836.102789	2214.465542	2031.451229	1850.621309	1629.187563
4.35_356.9730m/z	356.9730144	4.351383333	neg													1103.612771	1178.855992	1097.514336	95.84001194	0.000297236	52.12616671	50.17018588	11239.87741	4650.61312	46.72123652	0.000297236	2794.767437	0.000297236	102.3474696	51.62940526	41.29715892	50.71908865	0.000297236	58.78768413
4.35_358.0013m/z	358.0013317	4.351383333	neg													418.5800146	619.5677465	536.7245978	981.1909073	580.8254932	411.0311303	1587.657876	130.5974152	183.1239673	607.5943822	1185.523675	454.9465842	1005.229496	490.9386758	434.0208483	280.9974633	388.8538526	546.5996071	762.4773301
4.35_358.9699m/z	358.9699105	4.351383333	neg													395.4553154	487.1564582	687.3773775	151.6664146	189.7933235	152.8744575	153.1574153	3773.591482	1684.988202	52.39885848	86.5431796	1088.000717	165.0664254	191.147299	91.38621572	160.7202839	89.66473244	131.2178309	150.2171108
4.35_377.0594m/z	377.0594004	4.351383333	neg													4599.383303	5239.526855	4990.4921	3119.400224	2648.399194	2394.387143	3763.490531	2597.404738	15196.92526	3226.713768	3509.519126	8881.299123	16309.82823	2522.53761	2589.964109	2781.795054	6007.697869	3573.240537	4885.92691
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4.35_408.1412m/z	408.1411709	4.351383333	neg													4929.575639	5751.844055	5400.284156	5314.959881	6139.313844	5989.93514	4366.295043	7534.76184	4993.435339	4610.936317	5505.302467	7087.763421	4719.470667	4565.873096	4713.729812	4161.664372	5473.026519	4916.177349	5862.536206
4.35_445.0469m/z	445.0469227	4.351383333	neg													1394.362416	1751.783869	1835.412471	742.8852558	687.9236573	737.1227794	1263.912903	827.099227	5556.411661	783.4504706	604.3057152	3295.04639	6283.115366	802.7822163	929.9396582	863.9842203	2299.943845	1184.539365	1579.221117
4.35_452.2420m/z	452.2419628	4.346933333	pos													589.456195	769.8901627	521.7759399	614.1244327	752.2414604	750.2057443	845.0970945	0.000297236	0.000297236	891.0926839	321.5006092	152.3253993	665.9130917	898.8580127	1284.953963	759.5362276	1064.435511	542.8542368	1133.81667
4.35_608.3039n	609.3111672	4.346933333	pos													3118.350712	2765.357436	2381.610942	2056.087627	1770.472805	1792.210318	2210.681502	1664.917317	1222.527829	2722.197473	2243.215491	910.378884	2941.884253	2041.396042	2982.263791	1612.042881	1155.474222	2047.990686	3530.045861
4.35_609.0616m/z	609.0616141	4.346933333	pos													901.9964632	923.7422676	723.6229607	988.317899	740.6593612	680.0848166	220.3770134	305.4407312	417.1624291	294.3199897	654.645872	943.8758856	615.5912648	391.9087343	1182.673108	0.000297236	0.000297236	874.9938997	796.7185821
4.35_622.5708m/z	622.5708332	4.346933333	pos													1126.705084	939.8959856	846.2922821	1864.383437	629.0103996	1607.847759	439.6981571	447.3207253	346.165989	680.8403157	774.4268603	1535.945694	545.9092665	1183.106251	0.000297236	858.0885956	610.2532627	527.8183899	604.8047892
4.35_672.3601m/z	672.3600584	4.346933333	pos													5075.260425	5239.593218	4725.044002	2348.348446	6922.7083	4153.84994	9206.125644	3053.261509	1489.733585	6863.167425	2720.218358	1554.052629	7441.081832	6531.750759	7735.784147	3052.063651	4739.605033	2749.506554	5455.229241
4.35_672.8616m/z	672.8616052	4.346933333	pos													2838.768293	3248.857018	2132.402043	1179.705465	4314.32603	2410.333894	3347.487741	1800.793159	566.9494887	2934.075289	2779.192919	358.8005037	3360.903384	2566.456963	3860.490662	1227.341552	2497.477136	1942.079901	2456.03459
4.37_169.5261m/z	169.5261233	4.36835	pos													499.9781365	457.6329709	459.2339785	218.8124848	181.4386933	216.4812782	289.726853	142.7436862	1585.605352	249.3441628	234.9043535	466.2836772	1522.676312	143.1506682	178.097785	174.4671737	704.5095822	228.1331766	533.2727369
4.37_200.0377m/z	200.0377334	4.372916667	neg													732.5023333	798.7304761	815.4482505	127.7394913	86.21957346	123.0840686	60.98407229	4421.367839	5119.729054	118.3283216	65.28580546	2653.314798	198.3288834	124.4929024	169.578549	133.6366965	103.0005645	77.70360531	151.4871669
4.37_202.0534m/z	202.0534083	4.372916667	neg													214.478743	179.9226517	240.1009589	180.1316073	666.9320797	162.8781381	156.7873161	78.18836149	0.000297236	158.9030777	141.8280338	99.80368784	228.3270566	76.70588725	105.6203467	119.8147267	172.6582927	646.5502053	130.1084853
4.37_235.1316m/z	235.131617	4.36835	pos													668.0213181	609.2588118	604.8604143	610.8095254	498.0326756	640.5291316	359.1799185	805.3811175	485.1038233	517.526731	566.6333171	416.5101698	269.3143698	404.9630949	686.1530128	449.5673909	625.3813556	386.8022191	623.0579631
4.37_242.0917n	243.0989889	4.36835	pos													34085.30931	36951.55972	34563.07832	20506.02658	17289.78676	17880.74219	24380.32776	17928.21772	101277.2928	21915.64716	20580.69719	66973.84014	106741.1867	20292.22484	21314.50183	19562.38053	40541.65947	25146.07319	32224.2932
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4.37_299.0431m/z	299.0430851	4.372916667	neg													538.5941463	437.0232787	620.8775015	291.1230832	162.7080407	200.8844673	260.3052543	105.9496928	1701.114972	295.8632067	189.8037675	776.3034259	1860.015416	167.1434095	162.0187055	153.9889134	620.8839202	292.5950606	374.3726459
4.37_318.8713m/z	318.8712666	4.372916667	neg													2578.226138	2644.567463	2404.874697	2618.434852	2471.596558	2566.643604	2369.000017	2310.702919	2443.758892	2418.664455	2931.678869	2396.444875	2620.585804	2124.916212	2382.106647	2827.409007	2467.976442	2410.244835	2118.275844
4.37_326.0620m/z	326.0619685	4.372916667	neg													488.5219976	418.1686784	347.8093665	228.0382799	52.74695099	59.6956799	108.2716544	46.30449963	1222.002702	208.9251814	219.1303272	337.7469054	1168.05359	0.000297236	0.000297236	61.90637156	358.4054015	178.3680965	53.99261454
4.37_374.2214m/z	374.2214444	4.372916667	neg													352.5869681	330.0378443	259.1160313	72.54150026	0.000297236	74.61183146	50.34586213	433.1614687	261.0933789	142.9598061	78.81471005	2260.632047	204.7494612	60.26160135	0.000297236	98.11353169	135.9549037	98.72769922	60.67530211
4.37_384.2504m/z	384.2503519	4.372916667	neg													636.8462143	632.1665318	498.9656393	276.0050795	124.8791854	197.0952607	71.00570918	721.9873461	456.0294162	93.95463021	261.241103	4365.148031	189.9438787	107.89814	247.1995932	159.028038	208.1156141	211.2641151	253.3131993
4.37_391.7474m/z	391.7474144	4.36835	pos													1572.038333	1290.47154	1383.018814	948.7700212	2101.48788	1363.02412	1037.004761	3232.165261	2776.050648	1097.388024	1235.702313	2965.542842	834.8062886	1207.293908	696.1910157	945.6308318	977.723347	981.5049167	849.3758273
4.37_392.2491m/z	392.2491421	4.36835	pos													389.7951772	301.7716365	321.1530419	291.9108618	817.0436626	749.4068258	359.695413	1010.241462	982.4364622	189.1537283	391.0347858	1119.604716	347.394813	381.1262733	308.1782228	440.6401135	178.5757953	234.3913346	341.7604352
4.37_400.9092m/z	400.9091905	4.372916667	neg													4604.228646	4986.090772	4770.298075	5161.496775	5002.466639	5100.532128	4938.053078	4625.854455	5030.224911	5058.661903	6065.103503	4417.658425	4824.03658	4280.628462	5015.922771	5905.794722	5386.071205	4783.492277	4382.851523
4.37_443.1749m/z	443.1749174	4.372916667	neg													417.2225315	514.1206855	492.8200983	482.3635864	203.2371998	305.021552	475.4994424	115.5552411	0.000297236	275.3672991	752.6794254	383.3774942	450.3259349	565.4378378	841.6585673	456.2075553	683.130188	778.7576847	246.2324881
4.37_488.2832n	511.2726233	4.36835	pos													2049.319909	2971.781328	1706.554593	535.7344598	806.8144924	652.3578714	778.5913396	671.2362264	398.154849	412.5942751	32349.66255	544.703164	963.8447974	1044.546562	475.2219723	131.4211794	860.3754387	760.7025387	373.7817502
4.37_622.8225m/z	622.8225157	4.36835	pos													1272.990745	1064.306896	1217.85144	2984.973456	1206.73111	2203.314316	1974.631944	572.0439003	1887.886525	480.4752458	969.5995075	930.5793691	953.3901097	1333.693824	1278.676077	1109.685922	679.1328755	1465.507151	1804.642842
4.37_678.8080m/z	678.8080206	4.36835	pos													2553.823559	3620.788713	2746.576111	1380.782317	3879.172418	2106.40499	2257.140493	4229.266442	3018.262066	3005.308245	1515.672941	1176.235674	2025.38725	2935.753468	3290.709478	1325.099008	2654.483552	1434.22518	1043.80072
4.37_679.0588m/z	679.0587837	4.36835	pos													3648.039667	4311.308944	3314.418539	2597.930303	4897.428268	2180.202396	3664.656971	5919.632961	4805.782998	3135.090664	3270.828786	2688.490064	3165.100861	2732.438319	4411.400058	2702.342906	3490.008863	2286.476919	2387.644848
4.37_679.5603m/z	679.5602702	4.36835	pos													790.1777137	1031.31975	1290.757828	940.0587898	2310.573104	1067.769627	758.6251322	2641.196134	997.8785655	874.3526642	311.0026423	1716.002101	0.000297236	1311.267055	1167.093876	310.8202131	1109.194251	820.0707234	528.6234155
4.39_189.0989n	170.081045	4.394533333	neg													4081.288398	4456.874351	4426.966518	1804.621553	7105.165474	2102.851149	2248.520725	15700.63147	8688.733305	2514.662121	2105.892475	3510.576799	2811.856162	4194.597037	3693.948682	2870.845834	4819.011185	3404.860678	2945.19189
4.39_238.0692m/z	238.0691823	4.394533333	neg													507.4032102	597.4008187	490.990591	127.5742025	1099.048235	317.2870004	171.1895572	3606.216413	1367.01723	436.420249	170.7439741	571.3924471	204.4261949	309.5655458	335.6367974	267.3174323	325.3276765	214.5687386	306.7383494
4.39_240.1803m/z	240.1802669	4.3899	pos													2238.243535	2693.058081	2399.981378	2629.237194	2514.078705	2909.115169	3022.225995	2943.865601	2981.558008	2568.902489	3334.215618	4118.02665	3694.996048	2902.813257	3292.285814	2983.321842	2244.794479	2664.220373	3152.909326
4.39_304.1223m/z	304.12234	4.394533333	neg													577.3715733	481.7788743	559.0533673	551.6872676	446.8512763	526.7143515	773.5058016	607.2098056	281.4483778	523.3369989	561.724025	300.0824816	390.9634743	566.4495855	426.1245978	429.3980449	416.855592	592.058778	619.594965
4.39_514.2992m/z	514.2992146	4.394533333	neg													561.0109771	391.1781518	607.8986511	334.1546573	263.4472663	274.5536422	500.2273688	2611.296414	2411.885685	476.2271753	365.2038367	1424.051617	222.0404698	313.5811987	327.6929146	369.7223266	306.7525488	195.4120587	166.0423196
4.39_545.0298m/z	545.0297832	4.3899	pos													1218.111295	859.1174525	1028.648716	1364.945519	1062.693088	712.0899648	976.640585	1078.177316	750.8100562	1003.888613	876.7013617	0.000297236	492.606873	1035.349142	497.9495592	443.7768062	912.6064847	892.1753563	986.0668927
4.39_545.2839m/z	545.2838845	4.3899	pos													2614.599404	1505.539554	2325.598877	2803.303996	1386.686923	1168.109305	2119.75565	2312.555444	2217.947943	1315.263776	3333.881049	2596.765477	2442.578765	2981.801432	1892.747217	3075.862328	2160.903199	2852.116834	3204.80872
4.39_603.3006m/z	603.300629	4.3899	pos													1218.129055	1270.072401	699.2668915	674.9042381	1573.628187	978.5019272	1793.915738	632.9127382	1017.460146	889.9049442	2743.398315	622.8436138	2493.38644	1761.778829	2518.113917	978.7948619	1656.983728	315.7305593	819.1685715
4.41_266.1727n	289.1618088	4.410033333	pos													88773.6065	92761.73666	90951.02108	32913.21796	117358.2423	70530.48975	97163.89858	113969.2251	73152.77566	38691.3333	76090.88925	79502.3288	40273.15608	98728.58957	42097.46163	78473.6568	72815.81937	50378.39027	99040.96109
4.41_414.2462n	432.2800654	4.410033333	pos													42083.67875	39812.71015	38757.88001	36446.81695	36474.74893	34465.03222	35028.406	38455.26515	38791.64455	37034.81314	39430.14487	36580.31061	37630.68564	39681.83708	40694.13035	38837.55259	44338.576	37460.77613	34689.15232
4.41_420.7214m/z	420.7213869	4.410033333	pos													1688.339698	1639.558155	1730.707153	1709.983743	1265.238784	1208.03365	1012.90297	1190.020643	513.6029619	1103.210465	1397.230599	2136.735319	1148.327956	1524.740233	2021.935802	1663.296015	2182.851122	2099.348365	2994.705168
4.41_516.3143m/z	516.3143277	4.410033333	pos													1382.236686	1591.074992	1398.901778	314.9074604	1166.905154	339.3169257	862.057616	5972.338894	5822.870172	798.0151911	980.9081095	3186.481243	566.7357929	438.3634112	1133.720891	978.323243	690.6622211	498.2236363	329.7579069
4.41_519.5280m/z	519.5280265	4.410033333	pos													1950.236861	1606.751684	1470.595728	1766.8759	1496.948725	2074.359461	1259.426587	1946.451294	541.8510601	2233.654562	1622.403656	1729.555282	1671.884278	746.1581034	1687.362965	987.672566	1561.410839	1755.400811	1679.78591
4.41_519.7787m/z	519.7787175	4.410033333	pos													2540.103251	1904.111274	2465.14389	1432.984157	2161.541798	1890.10447	1427.680305	2184.570374	1884.560916	2221.930954	2103.373663	1120.775546	2282.75215	2051.618735	1687.382449	1344.444557	2164.349371	1702.790814	1800.051203
4.41_520.0296m/z	520.0295991	4.410033333	pos													753.7418433	1049.286482	769.2041168	1108.020167	1456.11692	1659.565561	1326.298427	1222.662919	927.6594303	647.4737534	1190.053498	1503.386668	715.7815609	732.9058481	1172.856363	877.4986533	728.9816911	968.0920141	1321.51395
4.41_520.2799m/z	520.2798759	4.410033333	pos													532.9635488	696.8791698	393.8000059	0.000297236	0.000297236	783.2083685	469.9866093	520.1216976	450.7935947	298.9281703	384.979463	424.2364195	290.6357798	428.9152003	0.000297236	605.4377723	502.6890391	780.1384527	681.0859142
4.41_606.9741m/z	606.974067	4.410033333	pos													1266.307352	939.9323109	1060.029831	926.8137899	756.0518755	238.8004581	795.8548278	1093.753664	575.0096068	1079.94019	1320.035107	1054.161302	1977.962544	1193.921986	1224.355193	398.6963453	1162.609444	953.6920302	2050.555507
4.41_658.8457m/z	658.8456559	4.410033333	pos													1817.023034	1791.960426	1548.630219	2138.128115	1708.20282	323.9939741	3014.08704	1737.378326	0.000297236	1699.201679	1809.740532	1253.929137	882.8904939	400.7447447	1104.029144	866.2038084	1820.458022	1128.810839	927.2196055
4.41_691.5912m/z	691.5912322	4.410033333	pos													859.6781255	1079.673534	1069.00499	993.5212	794.1975206	654.93873	893.11358	816.9000481	470.6742757	781.2707666	1641.141643	0.000297236	1374.896695	473.4618401	1379.643097	774.8975377	902.7770418	444.6789478	1271.306366
4.41_691.8424m/z	691.8424463	4.410033333	pos													2212.168339	1222.718153	1621.623199	1770.810113	2365.216425	2617.649127	2192.622833	1272.111597	1235.210206	1873.702564	2198.109491	609.8985509	868.6108242	2017.920849	931.9712431	1082.472482	737.4350464	2567.143543	3922.503233
4.41_692.0927m/z	692.0926672	4.410033333	pos													1178.20168	926.820449	1071.027638	1731.101047	990.031414	1510.294106	1826.326457	649.925766	689.0322812	1582.029811	2113.483724	0.000297236	1306.316778	963.7273265	1386.540984	652.6234566	1271.810074	949.9761221	1947.621886
4.41_697.5880m/z	697.5879769	4.410033333	pos													756.4196429	591.8473677	968.0365048	494.1637917	449.5981828	476.018142	1615.582798	0.000297236	717.0747186	1057.049617	521.8015706	0.000297236	1199.570812	1056.916851	0.000297236	418.0850133	581.2192785	634.8442178	1275.887962
4.41_735.8835m/z	735.8834831	4.410033333	pos													1827.128576	2053.601477	1293.752304	924.2532923	2630.238741	0.000297236	2848.583187	0.000297236	0.000297236	2740.185518	965.7929015	360.3116415	3956.533011	3571.362392	2681.562135	2675.167862	2058.864347	321.8046658	2742.911315
4.41_736.3858m/z	736.3857721	4.410033333	pos													1977.610808	1823.873718	1938.387482	1319.394781	1868.858521	1411.226703	1785.222998	1046.669937	256.4745736	911.4070122	1342.474493	70.49180069	4082.262603	3141.85337	2024.04316	2320.077589	1732.924285	0.000297236	2161.664742
4.41_922.1203m/z	922.1203102	4.410033333	pos													12745.33042	18464.43072	12006.46075	13307.01598	11567.57209	20457.49741	16993.85877	12850.9144	8438.988931	14149.02586	21158.62803	6353.060909	16818.71946	15583.41137	14922.83719	12272.31232	13357.51568	14249.45577	18748.32378
4.41_922.4546m/z	922.45458	4.410033333	pos													10926.39675	10738.1226	10405.0687	9832.502541	9996.19292	10329.23514	11100.79428	9690.532518	5741.713927	12575.39563	15012.89355	3871.377078	13066.76323	7598.608055	10477.03427	9292.815176	10619.58636	9254.505517	9692.439231
4.41_950.7959m/z	950.7958914	4.410033333	pos													4554.981981	6398.01758	4213.881744	2883.550529	4545.622022	5668.248618	5560.8163	2737.053813	2069.976819	5312.236471	6342.489829	0.000297236	5982.747203	3278.148293	2874.278302	4399.886743	4035.1854	3019.999955	4478.130017
4.41_951.4652m/z	951.4652159	4.410033333	pos													2479.579699	3283.132036	3737.982983	3398.496042	3267.659684	4622.788445	3903.764617	1740.140647	4071.739244	1910.963343	4487.386271	0.000297236	3840.993016	3141.719159	3359.112684	3147.529622	1954.667718	3539.221876	2673.00833
4.42_188.9970m/z	188.996993	4.4158	neg													2491.437897	2884.792189	2799.793085	2505.060625	2762.979556	2663.931416	2647.614587	2797.063519	2709.663476	2748.232696	3485.458998	2494.654851	2536.330197	2393.704579	2583.356626	2916.81644	2680.357902	2965.427015	2563.651291
4.42_216.1233m/z	216.1233458	4.4158	neg													711.2451426	670.3906102	623.0109215	349.0121512	1104.993762	798.2844632	407.5741973	1078.911543	1455.333676	1005.358016	683.3900198	396.356264	679.3780792	722.2285486	638.9736413	724.7873233	583.3564723	373.5575926	625.0602361
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4.42_299.0150m/z	299.0149795	4.4158	neg													650.3879581	777.4028324	756.2128529	503.3476791	488.5210752	516.1815279	510.4206741	1835.806576	1973.3975	481.8708134	579.7799477	1433.4732	554.6112114	386.7462798	435.4726869	582.1188134	507.872481	594.1595649	573.1272588
4.42_309.1070m/z	309.1069562	4.4158	neg													556.6121063	461.8094147	513.4458449	612.589889	293.9862356	427.3746257	320.9809485	651.568028	568.7618548	338.8897952	563.8499887	1046.910747	443.3397077	396.3774144	417.3169499	796.0034571	423.8872073	572.6394316	594.817119
4.42_578.2104m/z	578.210363	4.4158	neg													356.9133071	286.1626583	269.880025	0.000297236	152.8962769	209.5933772	191.9986057	2642.986317	1678.570414	221.1172712	0.000297236	1007.656694	181.381325	0.000297236	146.7227786	249.6429296	98.97096658	208.108081	129.0505668
4.43_155.0701m/z	155.0700942	4.431116667	pos													1825.913953	1907.529943	1961.378193	1929.233638	1755.280648	1678.553147	1845.82544	1796.811107	1614.660801	1649.327317	1989.631155	1705.068445	1789.405072	1944.713442	2283.35042	1864.807017	1813.462335	1969.986897	2001.389441
4.43_268.2115m/z	268.2115309	4.431116667	pos													3373.028303	4082.943116	3641.093163	4342.110576	4142.209681	4653.950492	6431.491895	5398.007485	6188.770527	4625.072046	6800.45146	6031.494005	6968.83362	5017.952298	4425.369306	4459.642776	3810.68111	3463.517455	6573.573764
4.43_340.2093n	363.1985937	4.431116667	pos													962.7379219	884.9077481	1216.164368	0.000297236	1674.754127	417.9226563	3251.830673	2480.722441	0.000297236	564.5464043	114.3196464	144.5864935	557.8365753	848.0461299	92.41996344	1226.879634	93.00009536	1042.670293	23078.61032
4.43_579.8074m/z	579.8074441	4.431116667	pos													1494.102345	1531.396989	1479.315979	1191.910947	669.0517803	1278.251949	1232.413564	1893.606686	1671.898292	721.6784117	559.0722729	1851.901192	1216.283742	1434.446855	1302.879411	1302.586371	1522.926488	962.5660592	620.2700279
4.43_700.8681m/z	700.8680552	4.431116667	pos													743.0112424	1109.725059	1263.501705	633.9248009	1028.380526	778.8831056	3099.03062	491.3174338	0.000297236	1608.562893	476.7297354	376.6756415	2306.465149	3201.240653	898.8086679	1190.659854	864.5956497	677.88307	1150.665079
4.43_955.1831m/z	955.18315	4.431116667	pos													3739.629534	4588.0464	3690.884419	4220.355591	2472.874653	2162.365243	4921.708934	2576.802684	2468.647847	4827.717686	4702.906647	836.8194887	3780.930551	3671.192467	4853.433257	3005.714825	4908.008641	4233.531639	1415.561455
4.43_955.4355m/z	955.4355	4.431116667	pos													2013.698218	2250.255348	2356.683642	2361.8473	1105.473351	2682.964877	0.000297236	0.000297236	1092.263504	2277.596561	2221.00383	935.6411437	2432.557139	2065.076693	1468.909546	1624.380762	1501.532916	2850.470832	592.6563623
4.43_960.6814m/z	960.6814063	4.431116667	pos													1445.320981	1751.98619	1901.904755	3258.942997	950.2466559	0.000297236	0.000297236	0.000297236	535.4681401	1359.555608	1615.904951	0.000297236	2377.14959	2321.8489	0.000297236	1365.884534	18.04893617	886.5036865	1004.578093
4.44_130.9911m/z	130.9910706	4.4373	neg													4789.288838	5030.073677	4805.675336	4845.854818	4771.359251	4925.09539	5149.127837	4936.30104	5014.411559	5047.661858	5729.739715	4384.653025	4546.328494	4583.059742	4836.566064	5183.065482	4847.164015	5320.603732	4407.912071
4.44_339.9396m/z	339.9396083	4.4373	neg													166.883217	180.3936065	125.7527899	2.946112591	0.213834859	0.047465635	0.748395056	1721.607058	2659.413526	0.780562635	0.420413787	295.8613454	0.067057746	0.166560008	0.145653805	0.164833209	0.000297236	0.07408086	0.000297236
4.44_377.1354m/z	377.1353707	4.4373	neg													336.7159681	420.488555	433.1298029	228.5922975	854.2174696	598.6756634	349.3500176	389.5549528	280.9605062	515.4437733	240.7092012	509.3813014	221.6319787	250.3334823	431.0244596	430.4455298	310.1888283	628.6792149	395.8445713
4.44_459.1619n	458.1545829	4.4373	neg													6873.945791	6487.922836	7018.368387	5145.709254	6832.114926	6633.093684	6609.808796	9614.502229	9312.496451	8444.818547	7523.765946	9710.20506	5602.76298	5390.895245	4966.113871	4811.517682	5214.990231	4852.27224	4395.412341
4.44_526.1419m/z	526.141869	4.4373	neg													2860.720175	2327.377648	2624.082464	2029.73425	2342.957748	2813.590824	2889.899953	3571.441804	3772.133089	3592.921131	3021.166829	3993.141125	2072.393798	2028.029543	2043.491042	2089.009784	2337.299686	2205.843576	1913.842876
4.44_537.1839m/z	537.1838583	4.4373	neg													784.0227983	695.067635	596.4550591	674.3712833	541.8166076	503.3600217	761.578317	679.874466	990.5489384	563.8494812	814.4336187	1281.342146	838.8890179	778.2613808	540.5592191	999.3373649	634.5545151	386.9386562	537.5773504
4.44_594.1295m/z	594.1294526	4.4373	neg													1344.393523	943.7226249	1409.809773	889.4433229	1308.534432	1108.826582	1332.55398	1725.622659	1485.784392	1334.37602	1229.203998	1683.988804	977.4157003	905.3926188	774.3817038	731.1301554	1145.152147	857.4946986	803.6825412
4.45_246.5567m/z	246.5566511	4.451533333	pos													968.0941949	744.4781174	776.7757607	742.2402798	589.589782	666.4045563	697.7635558	1160.194915	1077.675047	800.4392844	793.4405655	1167.810088	697.4442632	680.9188849	593.587744	559.5538677	535.5896211	432.5449137	527.0091318
4.45_437.1796n	438.1868341	4.451533333	pos													28647.40263	30650.72609	29574.2924	23566.69733	27485.30162	28935.4285	29441.49286	44203.21975	41581.06283	32034.75484	29715.15189	45490.74139	23747.59473	25755.45978	23932.06497	24243.58977	25027.1476	19438.09407	22021.18462
4.45_532.9628m/z	532.9627737	4.451533333	pos													2891.272655	2285.067146	2739.571365	1416.231538	3690.829421	2700.208745	2972.806424	3453.005901	2756.488951	2103.343706	2897.129589	3509.17248	1651.041063	1263.929409	2495.490473	2179.170697	1762.048205	3252.446832	2510.070087
4.45_533.1300m/z	533.1299906	4.451533333	pos													1766.632075	1911.937536	1568.959328	1581.748048	1187.778581	1578.708769	2349.25632	2576.057532	2120.868913	1891.045866	2801.153106	1311.021645	897.8525865	752.0543867	1844.244439	1683.121895	1809.580531	965.027982	1758.303264
4.45_535.2754m/z	535.2753974	4.451533333	pos													1062.696517	670.86252	1059.013462	955.7684507	493.2103934	1138.665395	625.7003907	895.3831492	593.5129913	1320.662465	1033.396403	307.6715794	1309.316819	1135.539568	1327.174756	887.6993059	1601.9669	1998.181252	1146.035414
4.45_535.5262m/z	535.5262174	4.451533333	pos													871.4269712	989.9202824	1380.519128	1142.908056	328.3827604	1940.165409	1150.795307	518.3788761	1006.719593	1405.666393	1149.573788	741.7294476	1654.612042	1353.044648	1701.402153	1073.642146	951.5287879	1199.873438	1689.822916
4.45_544.9540m/z	544.9540214	4.451533333	pos													1351.177002	1113.288273	801.6867828	1578.010423	671.327516	942.3392412	380.7751012	432.1563747	713.3345825	587.0286909	912.9643046	1851.526977	1540.692682	818.5287947	1055.90578	2116.911784	1064.371694	1669.431787	1765.489902
4.45_574.9804m/z	574.9804418	4.451533333	pos													972.4899242	1275.355126	1128.031355	966.6425974	1511.004121	645.1018835	226.6665684	686.0795646	586.3888215	958.1497993	1286.92067	332.2624738	1218.536569	1235.016061	1609.766537	1076.094649	895.67173	947.3903394	1098.092478
4.45_575.3141m/z	575.3141098	4.451533333	pos													1128.862556	1299.614117	1415.747953	1214.795925	1249.930804	932.6326014	686.4466739	1088.219975	446.2413771	1219.542395	761.4308745	491.1432734	2035.314537	1962.218716	1150.78423	1518.044827	1505.623435	1074.912375	2085.402381
4.45_650.3235m/z	650.3235449	4.451533333	pos													3142.383035	3196.15917	3373.201027	4771.261159	2164.726503	3540.572568	2634.138446	1672.010349	1631.028203	2282.574495	3139.874019	4120.519733	5207.483634	5875.940665	3435.796631	4917.65914	5047.233855	4574.574259	7834.887064
4.45_657.3172m/z	657.3171521	4.451533333	pos													1298.650572	1574.941255	983.0270081	1989.218342	876.1187189	1014.569238	978.0766716	314.3931334	308.1659387	303.8590899	955.7582285	1788.353601	2685.857353	1272.94759	1095.164408	1760.531746	1881.459013	1469.820363	1704.005909
4.45_657.9851m/z	657.985092	4.451533333	pos													1006.985889	1049.804598	853.2862701	1019.318533	819.3350147	642.8525185	516.0972202	0.000297236	0.000297236	0.000297236	1163.027926	965.3165682	609.540012	624.5096729	947.821896	1199.832199	391.9545583	339.8511824	1078.342426
4.45_974.4796m/z	974.4796264	4.451533333	pos													4260.135749	4088.181424	5453.84321	7553.87859	2795.608647	3281.114053	2663.759371	802.6609943	3380.721167	928.9209627	4689.943617	6584.892387	4087.274759	3960.229157	5324.871936	4902.779504	4043.174005	4906.864537	7354.149827
4.46_235.0067m/z	235.0067365	4.458266667	neg													973.1478101	967.675906	960.0740716	900.6412788	995.157928	712.7874173	762.8432318	738.2884324	837.7124638	880.3110944	1308.824651	770.3998365	869.7336461	833.9387029	843.4544293	1096.47051	945.9387868	1115.427709	826.4766727
4.46_300.9740m/z	300.9740297	4.458266667	neg													1146.818449	1625.889881	1423.136564	1162.056803	1245.317589	1265.160572	982.1874649	1173.98878	1208.300509	1473.4872	1823.567312	1093.477586	1355.683652	1000.174157	1291.708627	1631.337514	1350.598311	1429.146853	1260.15118
4.46_376.8858m/z	376.8858319	4.458266667	neg													1106.721561	1474.784924	974.7760417	1239.506929	1004.866817	1006.168799	950.9560021	914.5574915	1006.095262	1240.489074	1758.619972	973.0284571	1087.605682	756.8059748	1013.468803	1433.847586	955.6191583	1478.791181	1199.361195
4.46_404.1925m/z	404.192489	4.458266667	neg													12257.67668	9848.851115	9457.719371	8656.922869	13703.73548	11595.00972	8530.27203	11667.67611	13019.59689	9816.218991	7885.027529	7640.899127	10836.80874	8008.270797	5962.925246	7385.786981	7929.827369	16856.12285	12212.57776
4.46_414.1745m/z	414.1745372	4.458266667	neg													551.1786376	520.5056139	450.572937	218.2669618	211.7093932	319.2110662	224.2897528	3205.075492	1730.741913	378.5706592	343.5906379	943.9283625	142.1523313	255.6236386	135.8909742	93.04271691	64.2911336	156.970717	245.7045019
4.46_472.1799m/z	472.1799435	4.458266667	neg													2634.906506	1957.578545	1980.967605	1587.156444	2693.591211	2332.851482	1663.001856	2087.249625	2633.164798	2277.853313	1674.65368	1380.543476	2251.700381	1382.299555	1255.39711	1608.612256	1518.899381	3377.289483	2277.760203
4.46_781.8390m/z	781.8390056	4.458266667	neg													1523.340796	1990.843735	1694.47563	1098.420487	1649.964422	1476.852176	1452.770845	1574.778499	1775.330163	1565.062077	2775.895623	2004.070446	2982.357239	2440.616406	1605.382268	1675.959851	1851.280379	2431.557193	1683.832737
4.46_897.3848m/z	897.3847836	4.458266667	neg													2539.39549	1969.458786	2116.65383	1445.194266	1034.12675	1352.336624	2531.35303	766.1985651	789.6442039	2491.538109	3072.006184	4850.066901	3428.65897	1719.943875	1248.589921	1608.108262	1563.095678	1824.305584	2391.504921
4.47_234.0081m/z	234.0080573	4.470883333	pos													1755.71334	1888.058885	1894.197544	1758.625508	1813.285633	1682.524449	1420.565154	1706.993988	1391.878374	1750.526256	1673.423301	1420.174877	1759.513924	1497.677018	2038.729143	1867.465536	1641.493652	1513.609228	1739.649803
4.47_236.0051m/z	236.005108	4.470883333	pos													1110.305301	1085.858491	1097.607849	1074.821411	921.9449246	1127.243067	864.7143309	957.4186164	944.1752962	1050.1518	989.0034175	992.8308127	1041.591635	1216.939949	1246.996755	1157.182193	1089.838007	900.9179546	874.9455994
4.47_560.7480m/z	560.7479655	4.470883333	pos													928.5030627	765.4313839	617.7668686	1776.579207	733.3818445	661.8924733	966.7952288	1446.711903	1275.884184	709.007314	381.400286	1440.318994	1368.35116	1014.980591	889.9320409	969.0228984	402.181974	733.5331603	975.7932321
4.47_560.9986m/z	560.9985904	4.470883333	pos													480.0352209	523.0968954	341.3016357	566.915905	1306.318453	517.2305192	519.6520164	742.3402478	396.076607	566.0136953	1274.441432	957.4457945	189.0413261	538.6480761	327.1785844	1015.938099	868.7309598	430.4804499	1122.663872
4.47_582.3226m/z	582.3225879	4.470883333	pos													1680.082099	2204.785995	1640.025585	2149.378819	2297.371913	894.708351	1940.373848	1077.178815	619.456437	2880.473141	1264.074403	1009.099023	1327.818468	2218.157134	1897.042444	1472.719658	587.2533571	1337.883657	4894.771528
4.47_637.9922m/z	637.9921647	4.470883333	pos													708.7199297	900.6714554	728.5650233	615.8371886	491.520033	560.777589	2404.552716	0.000297236	0.000297236	475.0657297	631.1049501	0.000297236	1282.218544	1709.83136	642.2889323	340.9670667	560.3003397	399.6622104	1466.513693
4.47_783.8522m/z	783.85218	4.470883333	pos													4253.50833	3633.19134	2873.011483	2349.29495	2293.493041	3024.70215	2583.504942	2877.949681	2656.43066	806.9297507	1887.891758	4585.547009	4640.172618	3271.903812	1558.18283	2603.095074	2541.297136	3126.511754	2892.006608
4.47_784.3538m/z	784.3538091	4.470883333	pos													1490.207021	1555.812086	2341.342793	1766.807048	1676.862774	870.1227359	1656.050808	708.4686798	1712.524949	768.7196714	1946.655993	2167.3117	2316.074828	1307.139221	1400.763895	1726.770445	1480.697959	1268.203513	1337.303069
4.48_203.0010m/z	203.0009815	4.47925	neg													207.4676031	247.9633189	188.1800612	680.8303656	0.000297236	20.55216548	151.0657708	21.52489076	0.000297236	27.01176874	241.4098575	494.1512348	0.000297236	0.000297236	618.6535819	328.8048425	439.5887415	367.4992685	4.622110603
4.48_232.9862m/z	232.986231	4.47925	neg													1471.063106	1549.253356	1522.101277	1501.59436	1597.486803	1535.505793	1391.228489	1405.840582	1413.5762	1479.087141	2211.764783	1184.748765	1485.911411	1355.540574	1367.567799	1638.14797	1460.024749	1605.260222	1461.40901
4.48_346.1869m/z	346.1869143	4.47925	neg													750.2913857	691.0922268	596.5444298	251.172586	395.8658924	527.6857498	176.2582893	3940.277526	2050.06324	323.9199078	358.552082	867.6141574	271.8865363	236.9373329	207.1279836	89.31347985	194.5767008	179.4253754	252.0425626
4.49_220.0636m/z	220.0635652	4.4914	pos													1317.299782	1412.273209	1353.995766	1275.702749	1319.019551	1840.547944	1150.683399	1822.604468	1421.322108	1029.179932	1098.649206	1820.34873	829.3414308	782.3571245	1575.62162	1325.876242	1605.987272	2029.246718	1673.849823
4.49_535.7367m/z	535.7367167	4.4914	pos													457.6010119	409.1505576	401.6509705	650.1375654	961.1957041	887.4638323	1074.502556	549.3847852	177.8191452	435.104039	902.7287692	568.0554624	948.6200558	787.5605213	1183.319392	933.5008587	253.2514119	965.5285529	1287.54562
4.49_555.8000n	538.7966958	4.4914	pos													1163.915441	1583.204739	1665.831665	1761.097109	2088.476635	1451.033942	1006.406696	647.7192251	697.5383599	2199.746025	1211.444091	1127.708523	414.8106204	1127.317423	823.0075962	634.0463372	1216.302079	2408.920645	2056.590069
4.49_556.0506n	539.0472926	4.4914	pos													1753.653207	2453.820869	2638.77538	2131.057794	3637.939521	1609.814241	2066.52315	1404.217109	850.3782688	3920.900377	2772.201905	1640.816533	1293.701363	1199.641124	1731.600046	1701.366308	2007.578834	2831.558647	3470.389544
4.49_686.8653m/z	686.8653478	4.4914	pos													2332.878896	2604.39651	1400.575241	1314.259167	2463.049145	1520.274075	2821.537702	1071.104984	2253.503687	2004.598461	3391.616822	896.1068183	1570.702998	1465.221866	691.021991	1915.027609	309.4418742	839.0827348	1420.431233
4.49_687.1159m/z	687.1159351	4.4914	pos													795.6783129	824.454019	1197.226715	1792.008522	1116.58672	580.13829	1888.430956	2839.274947	1451.153625	288.0856291	1881.804797	358.9567146	591.437186	515.9651649	380.2015329	298.153279	864.5829283	1503.627913	481.6466663
4.49_696.8753m/z	696.8753421	4.4914	pos													1293.362559	2119.424721	2066.872253	3043.385191	2835.455825	1870.279193	2611.70991	2511.808488	2630.141734	2655.819902	3857.05635	2034.99398	1261.689144	1358.753912	2081.574798	3305.239642	3153.12151	2804.599214	3171.747477
4.49_713.3112m/z	713.311226	4.4914	pos													666.1407411	527.4182744	932.7372574	1811.008706	1218.40757	958.8004433	1416.469262	0.000297236	0.000297236	1637.800704	809.3043848	422.3262936	673.0658188	286.3443122	1051.384773	1763.547558	965.2610689	1421.611999	649.5186973
4.49_713.6458m/z	713.6457981	4.4914	pos													829.8237225	1323.205128	828.4609051	1994.992393	2375.507618	0.000297236	1468.977436	380.945216	698.8601842	0.000297236	1286.994643	912.5805368	554.7797501	0.000297236	1706.070048	1116.373182	662.9963727	884.7807483	727.424631
4.49_713.9781m/z	713.9781309	4.4914	pos													1175.045853	993.7589841	636.0496826	1531.274502	1121.031481	989.5277277	508.1988337	808.579972	359.3732778	1307.80982	947.7772361	1068.420616	487.1133721	760.0768346	952.3713043	692.0444516	999.5556652	0.000297236	641.8767205
4.49_883.7713m/z	883.7713383	4.4914	pos													4239.995981	4626.665356	5411.563782	4314.646336	4128.177544	5412.651613	6779.042772	2703.818734	2317.004867	4113.345657	4971.415166	2836.130305	8068.776134	4308.508739	4785.096127	4770.843027	4892.015952	4953.84745	8118.892582
4.49_884.1059m/z	884.1058663	4.4914	pos													3989.728228	4267.052203	5052.687843	5569.27414	3356.500436	6724.819054	7789.7741	4446.342073	2195.369424	4161.229887	5865.680555	3501.322413	6742.424814	6083.116173	6212.034614	6338.963956	4667.101683	7023.362522	9247.890511
4.49_884.4398m/z	884.4398163	4.4914	pos													3302.483334	4545.522706	3474.209955	4421.573828	3545.962004	5040.289611	5396.630165	2506.63065	2194.478286	4176.707974	5086.988165	2643.526155	6041.708777	4949.302966	2977.645914	4834.101952	3609.789506	4707.144196	7364.368889
4.50_194.9878m/z	194.9877785	4.49865	neg													13936.107	13695.40703	13585.40306	13898.89043	13760.95046	13048.12266	14874.41952	13526.37473	14125.8705	13957.77697	15698.39018	12484.31502	13321.53333	13533.66931	13569.49472	14333.10313	13428.69025	14634.81495	12761.91056
4.50_199.0576m/z	199.0576249	4.49865	neg													971.6476881	951.9684218	1002.574807	1182.391135	1277.067698	1585.4531	1156.949619	778.6115798	1535.113983	1632.609952	833.6127242	802.4194026	1246.42823	654.7354146	990.943815	474.7659154	534.0975462	1027.177162	973.2439372
4.50_218.0485m/z	218.0485252	4.49865	neg													280.3426653	153.3517586	241.2014426	246.4642037	250.2965031	355.0124082	173.613175	251.5672788	191.6847286	180.151125	276.3127599	330.0087933	139.2887684	124.0509219	319.8753412	258.4531588	268.9071358	432.6422947	240.7255441
4.51_1113.9996m/z	1113.999558	4.510966667	pos													4133.818309	5131.436562	3628.634381	2183.94025	2829.765906	3658.524931	2523.830429	2892.512184	3129.434438	2975.409604	4671.069268	2466.737997	4275.344416	2824.432354	4059.721404	4654.997803	3017.191619	2212.527004	1643.614175
4.51_1114.2506m/z	1114.250606	4.510966667	pos													8334.386578	10674.14561	14768.09829	9300.332512	10596.39381	12912.5805	8367.079795	12833.63642	8650.840127	14806.69182	12431.79441	10135.88005	15416.97188	11582.47332	12771.34886	13102.49049	11696.75477	9756.918709	7873.002252
4.51_1114.5016m/z	1114.50163	4.510966667	pos													12468.85894	16590.58408	15043.40435	8267.902481	13126.02884	13767.67272	10678.80408	11940.04006	8749.872909	16997.90388	15976.12081	8038.195681	15255.2331	14439.35685	11988.58839	14344.26508	16008.86781	13461.58499	9745.053671
4.51_1114.7517m/z	1114.751656	4.510966667	pos													8506.109906	9252.293617	10206.56493	6701.014031	9465.210399	9895.554586	10344.67793	10785.1341	4627.168474	11394.94497	9039.404726	7988.052219	11926.68926	9037.810893	9623.201385	12894.21585	9199.450595	10780.61833	6477.003534
4.51_1115.0025m/z	1115.002466	4.510966667	pos													6269.705069	6231.77374	6013.253758	3757.156102	6349.015382	7196.163287	5704.796681	8217.461671	4296.593798	7645.827872	6125.093368	2479.027703	6046.129602	7595.136336	5157.83045	8249.506965	7080.125183	4941.584642	5492.706885
4.51_458.2725n	476.3063237	4.510966667	pos													33125.55561	29166.31905	27993.2137	30365.09446	27369.70842	29546.85879	31382.65836	27905.20719	30017.47527	32635.08154	33996.41768	31027.29749	28449.09052	30793.03634	28801.8755	32182.08339	39367.00643	31335.44292	28554.61299
4.51_646.9346m/z	646.9346277	4.510966667	pos													1957.883309	2616.391482	2133.251037	1624.984452	1688.380473	2081.932589	2909.583451	1100.871401	1208.757526	4775.589535	2177.549612	1495.743029	2085.012019	1861.51614	1958.097576	2159.621104	1816.134469	2902.508346	2862.221333
4.51_647.2686m/z	647.2686242	4.510966667	pos													2209.283366	2961.029355	2380.861849	2224.925946	2612.190125	1768.703398	1545.892243	1093.554401	950.8318398	2778.459286	2863.28338	396.7760789	1076.175893	2349.406546	1485.2445	1876.538017	1192.087078	1550.942978	1285.051483
4.51_660.8547m/z	660.8546685	4.510966667	pos													1345.52329	1842.057096	1806.568114	1888.277577	1716.402499	2061.620295	2091.03764	1600.377649	1183.692362	2629.185122	1858.072826	774.7701056	1497.712269	1624.561311	1671.441598	2499.845176	2661.559619	1914.54314	2023.013143
4.51_948.6848m/z	948.6848013	4.510966667	pos													6724.842518	6512.800239	7588.144012	7278.930962	6124.410049	4780.511722	7324.373645	4552.169286	8191.628403	5972.888901	10397.15383	9417.077882	6097.61967	8041.583604	6012.461977	8556.130719	6976.399466	7973.365771	5304.604816
4.51_948.9355m/z	948.935511	4.510966667	pos													17705.13425	11503.57349	12862.4558	20057.79575	17471.83257	14318.16895	20721.35177	13969.80623	16125.58095	17129.28788	23132.85185	23694.97279	16234.10812	18010.7246	11737.50708	20225.54579	19799.9465	21670.12548	15660.5747
4.51_949.1861m/z	949.186103	4.510966667	pos													17018.24397	15896.71158	16309.27088	15962.38272	18463.02483	10866.47532	17654.99912	14027.56508	15693.64247	14971.43404	18594.85494	19530.86357	13427.43958	14418.5714	14352.52718	16203.79217	15674.23828	19989.83502	16070.57707
4.51_949.4368m/z	949.4367965	4.510966667	pos													12690.61315	11461.00806	10365.73896	13642.19166	10516.05988	9301.375891	13283.1438	10659.88533	12001.08289	8145.182705	15904.91987	18522.24784	11072.86231	10079.72285	9392.410746	11632.7905	13463.68522	16090.062	10087.93455
4.51_949.6873m/z	949.6873413	4.510966667	pos													4965.214507	6634.795036	6127.517456	8961.813616	7171.260086	4804.606846	6656.214967	5387.063512	7516.349582	6574.389001	10029.57302	11346.37165	4877.569931	8827.706387	5333.894603	8451.50724	9982.982496	6669.732943	6863.845413
4.51_969.8977m/z	969.8976996	4.510966667	pos													18189.75883	15697.44405	19269.96199	20682.15954	20312.03112	20635.40703	22033.09346	19290.63496	11599.64427	26013.05792	28541.17056	8900.560797	14770.96046	15273.65256	14808.03929	17074.62588	21307.74166	21308.48634	18276.39719
4.51_970.3989m/z	970.3988868	4.510966667	pos													14125.97348	13238.1636	13873.70835	13964.72473	16259.08097	16883.30822	16443.22733	7736.372038	4912.462414	18916.355	18535.82765	5940.216452	12573.25416	11513.06119	9771.920384	11498.20504	14539.11828	12987.02969	14418.41786
4.51_980.8889m/z	980.88888	4.510966667	pos													6711.71505	7230.110871	4284.163594	8671.528062	7709.08584	8863.294813	8532.842716	6146.43018	3630.492931	10062.61055	8750.080011	3987.940678	5520.562813	6313.38799	5009.163974	5417.468402	6132.811763	6071.138377	7820.955099
4.51_981.3899m/z	981.389896	4.510966667	pos													5424.226958	3169.61266	4400.920846	3845.385191	4216.761779	5834.206877	6465.380808	3876.326595	2262.446518	10007.30297	7106.000556	3405.319112	4248.519419	3822.998988	4887.471386	5775.921608	4344.4722	6216.498104	3621.273124
4.52_1000.8564m/z	1000.856409	4.5199	neg													2098.044917	1713.465032	1894.861322	1952.332675	2702.914314	1874.6223	1596.694961	1836.073646	873.3553576	2736.267436	3566.161217	336.0817878	1420.177947	1270.63006	1589.006993	1523.629474	2320.476045	2103.777552	2345.44752
4.52_1001.3585m/z	1001.358517	4.5199	neg													1481.26499	1271.679379	1487.351654	1405.706432	1834.662105	1093.957825	1433.256515	1659.72326	639.694658	1354.674489	2003.158696	389.1045706	1526.920758	790.6223811	631.9170905	881.1245556	1516.334037	1423.646986	1638.659704
4.52_112.9972m/z	112.9971795	4.5199	neg													797.7351139	540.9446132	663.5190594	937.8851038	543.7711111	547.4556796	694.0658051	895.0170459	978.3986128	786.2162522	960.7105914	1024.60549	904.1576112	675.2410818	623.2915396	1021.747114	546.9427585	772.6082293	986.9212964
4.52_155.0701m/z	155.0700838	4.5199	neg													718.7671127	861.7472529	642.6383806	597.5369623	712.4534581	663.6530933	578.5299152	601.0086511	594.9281795	654.3652295	667.4638711	570.1662685	695.1354645	638.1345667	689.5079647	656.0560058	659.2019526	679.9759804	613.0152108
4.52_193.0729n	192.0655775	4.5199	neg													81255.26606	83681.35449	80855.32357	148619.9998	78355.21545	51470.0866	81656.30215	90862.05864	88030.86993	39842.97441	81929.00007	108846.7317	67977.53233	81253.03522	73310.27619	82685.42879	106220.179	92154.04856	55249.34003
4.52_205.0240n	250.0248861	4.5199	neg													4084.130467	4012.34205	3787.327237	6440.460132	3800.653866	2794.945672	3825.761732	3801.026512	3932.371834	2317.356138	4412.179544	4786.341147	3330.047766	3943.360047	3416.392049	4067.336759	4896.447963	4341.23458	3105.062348
4.52_228.0427m/z	228.0426894	4.5199	neg													550.74023	487.5429804	649.6509266	1014.52316	558.1319447	287.6902781	561.934244	706.6343203	638.6074109	240.6051358	665.858454	719.3829266	489.2593906	604.6358296	582.3589027	559.0676514	858.570904	639.0710864	284.0711479
4.52_292.9986n	337.9969105	4.5199	neg													2979.717622	2772.10898	2358.702198	4422.938969	2307.566561	1355.557486	2470.340483	2377.78547	2245.173167	982.5431757	2428.998786	2984.596621	1938.21373	2509.353107	2032.364101	2469.735291	3260.245373	3044.505755	1719.544403
4.52_304.0803m/z	304.0803013	4.5199	neg													471.4510388	255.5993614	382.5632401	835.1521217	409.8718806	286.8116513	325.8565938	331.9241247	410.0363471	214.4468397	360.5023863	483.3640908	279.9976508	319.8019175	269.815311	361.6132914	538.0582087	345.3224804	252.8639848
4.52_318.0125m/z	318.0124553	4.5199	neg													1493.229892	1245.556768	1295.37938	2832.886698	1177.747386	896.2988115	1222.49997	1577.077039	1422.860288	588.2843319	1486.980136	1551.131804	1211.736532	1053.317349	1017.075098	1224.598983	1936.877037	1636.191429	872.301309
4.52_328.0413m/z	328.0413428	4.5199	neg													17423.12442	16154.55902	16214.20638	28952.42132	15564.76909	10033.36611	14992.00622	16864.82788	16050.21099	7833.35455	16483.25607	20427.14294	13090.37618	16234.55106	13528.78277	16393.86633	21917.11943	17467.58104	11108.12019
4.52_345.0313m/z	345.0312749	4.5199	neg													1861.184628	1437.864916	1644.112588	2743.560304	1393.076279	1086.721601	1415.011932	1776.256048	1540.208043	677.8367846	1620.558043	2031.183693	1073.958349	1529.240931	1353.063396	1500.32992	2002.797254	1982.430271	1062.559082
4.52_396.0287m/z	396.0286545	4.5199	neg													10370.23331	9942.236502	9490.742296	17547.75328	9307.44964	6362.196835	9045.742287	9917.480501	10382.72572	4454.108902	11006.96605	11318.47047	7924.807956	9777.430967	8878.626544	9106.604395	12952.0219	11708.43207	6224.908868
4.52_405.9841m/z	405.9840569	4.5199	neg													2561.490521	2537.293979	2142.180305	4383.078933	2188.485458	1415.519954	2000.689535	2675.444385	2267.691859	894.6040975	2197.350026	2606.529555	1888.274468	2310.225178	1778.911112	2271.471428	3331.995309	2475.166926	1775.967839
4.52_427.9659m/z	427.9658897	4.5199	neg													3479.060862	3519.976137	2949.202769	4430.724259	3221.743007	3257.545559	2851.782183	3040.383461	3257.831309	2797.720076	3359.486775	3218.955312	2959.686985	3348.966115	2943.811576	3657.501342	3968.788854	3439.437381	3008.62159
4.52_453.9876m/z	453.9875784	4.5199	neg													1020.793395	696.405105	805.0817566	1689.002374	791.7460122	329.3809056	807.6046148	712.5105454	1064.869848	166.4215134	1012.702965	870.0842488	718.4989745	918.3706442	555.7637795	828.8452593	1262.981207	998.5933649	578.7888256
4.52_461.0314m/z	461.0313953	4.5199	neg													2015.228676	1643.954318	1794.798735	1826.119993	2157.582758	1672.733499	1658.264	2057.347045	1774.236249	1755.680564	1982.396433	1895.273535	1896.509443	1883.864482	1970.805756	2002.575731	1772.516858	2223.263022	1659.833211
4.52_464.0161m/z	464.0160802	4.5199	neg													6381.104227	5959.271114	5992.96083	10039.90456	5962.953429	3615.723425	5163.265482	5836.630616	5650.728157	2716.405451	6300.909655	7404.371727	4646.335508	6242.820948	5555.747403	5740.674295	8134.647135	6939.824091	3922.238349
4.52_541.9591m/z	541.9590978	4.5199	neg													1750.909223	1359.141403	1326.769387	2604.677184	1361.581808	865.2846416	1144.888459	1235.340258	1422.457173	497.960851	1564.015825	1576.793098	1081.862518	1242.44803	1168.79548	1538.918486	1497.478597	1883.030477	1187.427998
4.52_599.9914m/z	599.9914023	4.5199	neg													2312.044617	2526.998225	2158.940721	4359.688931	2111.973543	1074.732159	2256.593281	2782.666954	2508.67316	873.370782	2449.643519	2699.519912	1273.583092	2194.056056	1875.040261	2323.610989	3087.01546	2990.654695	1356.779335
4.52_667.9787m/z	667.9787206	4.5199	neg													1683.538065	1878.818391	1329.699089	3333.230314	1504.145359	983.9558872	1526.58529	1918.087843	1568.462984	549.6723135	2030.396898	1726.830144	893.0552318	1452.200792	1153.210793	1524.326457	2499.82205	1761.868972	1175.155526
4.52_735.9662m/z	735.9661957	4.5199	neg													961.0980872	796.9609925	1051.030896	2198.511674	1265.559303	824.4920935	964.1561492	862.8937759	1266.816867	392.1415848	1292.55644	903.6220624	680.8997274	981.5709199	876.7071908	997.7129183	1994.482784	1578.946873	676.1628148
4.52_967.8847m/z	967.8847435	4.5199	neg													42963.976	41319.46915	43334.6311	45561.37253	56240.76651	48986.24292	54031.44787	42448.39626	26440.23367	54921.06962	62257.74589	19793.25716	41066.43986	45050.29304	42090.58103	41480.80943	44794.34483	47912.57688	42270.97535
4.52_968.3863m/z	968.3863061	4.5199	neg													34888.28772	34400.66531	33538.85935	32989.6847	42633.15868	37755.95074	41134.98841	33140.24619	19018.55925	40440.07815	46341.81798	16343.19604	29352.83112	32629.27169	33253.07909	30511.76665	33925.0847	37666.6899	32434.55298
4.52_978.8758m/z	978.8757621	4.5199	neg													13334.89663	12577.38883	12984.71366	11528.96196	16930.82335	13160.97769	14292.57113	10998.00556	6712.827668	16704.08248	18691.28846	5019.198166	11798.10187	12433.4741	10518.00399	10749.15298	13744.52144	14858.95189	11566.15061
4.52_979.3773m/z	979.3772546	4.5199	neg													9380.833687	10239.15414	8709.460068	8617.939356	11556.071	10637.63445	10403.08248	9077.978585	5160.396031	12001.311	13690.3736	3813.298068	8107.745105	8494.249792	8127.692775	9227.357384	11332.28441	10217.06526	8661.021259
4.52_989.8664m/z	989.8663644	4.5199	neg													4403.608685	4390.644434	4856.704241	5059.351082	7075.099653	5940.794876	5162.269027	4382.930447	1054.450985	6498.910855	7595.391813	1641.151824	3772.674156	3862.363904	4980.748544	5897.26539	4983.123995	4497.410835	4481.419903
4.52_990.3681m/z	990.3680764	4.5199	neg													3720.109652	3383.678393	3570.075012	4010.694833	4338.194231	4322.895894	4645.849358	4741.255813	2416.905432	4543.366889	5341.472587	1337.154241	3136.863662	3441.358329	3134.447596	3373.209862	4408.076599	3896.444841	3626.877234
4.53_1137.8651m/z	1137.865143	4.532133333	pos													1429.673749	2023.255809	2205.914429	2193.065586	2073.962034	2630.116622	3644.221805	0.000297236	0.000297236	5721.506134	3306.202153	0.000297236	3151.295796	4957.701754	2817.407257	1086.46265	4842.733866	4343.593555	3612.163738
4.53_165.5303m/z	165.5302558	4.532133333	pos													1329.269032	1347.511863	1537.201033	2993.34191	1207.424042	894.722722	1479.088019	1525.660819	1481.198308	650.7497737	1333.34697	2668.98004	1331.320059	1544.096856	1394.433898	1457.699205	2015.292985	1626.687487	1101.946553
4.53_166.0319m/z	166.0319307	4.532133333	pos													945.9676159	1101.12857	1067.470737	1103.154574	938.9694124	911.9526683	912.191397	683.5088386	877.3188688	687.0089377	819.0852355	1052.431874	900.5913027	806.9243095	924.2498566	1073.819034	1017.802492	954.0610608	808.1271422
4.53_238.0447m/z	238.0447312	4.532133333	pos													2619.337831	2866.062978	2852.470451	4567.630805	2353.390717	1595.524422	2756.367149	3124.701069	2889.055627	1338.488875	2340.996541	4192.855053	2347.126905	2783.151916	2603.58314	2806.489339	3840.251095	3098.219271	1760.285305
4.53_533.0469m/z	533.0469495	4.532133333	pos													439.9705381	398.3302811	617.3989739	293.2073308	644.176886	698.1632133	990.6455538	0.000297236	0.000297236	1497.914139	1380.609793	0.000297236	451.1908521	663.8685621	519.963494	216.9320843	326.4439288	177.042925	180.0248377
4.53_868.1599m/z	868.1599006	4.532133333	pos													790.4332117	923.6008943	1366.103394	0.000297236	0.000297236	211.196567	1632.276691	1570.689037	991.813805	431.1262038	1709.724321	1672.009136	683.8498615	1316.839142	477.5376548	863.4926007	512.640618	2645.557936	0.000297236
4.53_912.6718m/z	912.6718422	4.532133333	pos													4729.758681	4102.157552	3628.814239	5593.803323	4074.02815	3666.434986	2626.476724	2830.034378	3644.147289	3240.055926	5895.015033	3532.439414	3801.861303	3609.998866	5557.81338	5200.036178	4422.421255	6220.539497	3763.381894
4.53_912.9224m/z	912.9224207	4.532133333	pos													3355.40163	2418.265949	2395.146729	3015.026147	2746.921547	3707.952285	1974.12545	1649.484204	1950.216558	3588.031312	4919.274618	2771.251187	2792.270666	1731.395169	2109.880667	4804.988291	3033.530448	3207.469351	4434.075394
4.54_276.1273m/z	276.1272723	4.5414	neg													1559.351177	1958.579464	1774.688477	1723.07175	2617.625289	2031.470683	1642.158731	1383.894948	1103.494859	1847.385033	1547.572237	1526.953506	1648.916275	1435.896122	1774.252099	1869.634571	1943.318202	2127.27332	1910.332775
4.54_280.9666m/z	280.9665671	4.5414	neg													765.7343764	1092.567585	995.7759519	958.767658	1038.71127	1126.934028	882.8935183	1151.728839	724.4297961	964.0510475	1148.135535	799.1105127	1086.532508	1093.975605	1142.506432	1069.248687	1116.847166	1005.69635	1167.034368
4.54_281.0274n	326.0258549	4.5414	neg													221.1027952	305.5493659	221.8687325	0.000297236	327.7444561	3025.740148	0.000297236	88.51132141	0.000297236	1192.634355	0.000297236	145.3350216	35.43416508	0.000297236	97.79757756	54.14938103	481.7279032	214.8892152	0.000297236
4.54_372.1775m/z	372.1774771	4.5414	neg													1229.315241	1158.996551	1082.434638	100.4053163	292.2757969	459.9260235	329.032745	9327.883251	4893.657447	522.1334891	261.7952286	1836.285155	245.3416804	129.4148275	180.4027217	228.9949556	280.1838345	240.0992851	228.4115574
4.55_279.1682m/z	279.1682211	4.5538	pos													172.3732966	192.3002005	295.3114319	1731.249857	327.1630348	474.1660397	286.6055406	592.8081912	203.9263649	232.825739	157.1358865	0.000297236	1568.538185	2192.133354	1339.898461	214.1300594	1367.71029	1170.005612	2901.600138
4.55_466.5892m/z	466.5891888	4.5538	pos													1591.118578	2140.742954	1703.165043	2545.38118	2957.635276	2071.466242	2799.275528	857.9613914	935.687613	1587.430492	3533.570729	1988.275943	1567.297899	1606.665206	1951.09788	1616.297986	2523.422827	3091.680383	2230.884015
4.55_466.9234m/z	466.923434	4.5538	pos													1565.110312	1458.917293	1194.510243	1785.587062	2112.667184	1023.329597	1430.665697	1054.351058	1602.485663	800.2829393	1894.572579	1654.795247	1268.202314	1562.02776	1442.00293	1235.275058	1384.651075	2509.363558	1486.927227
4.55_618.8337m/z	618.8337074	4.5538	pos													2294.390938	2276.381047	3078.75531	2653.839299	4153.206352	2318.755931	6772.756005	2015.610745	941.1698182	2759.528624	3036.3285	444.5146007	4821.482188	5856.580313	4200.478916	4018.988894	2480.057529	3035.319546	4954.09274
4.55_619.5882m/z	619.5882447	4.5538	pos													331.1734841	615.6702159	504.6147308	298.0030319	509.0140945	0.000297236	1865.762906	223.5480162	0.000297236	1120.683114	1161.521845	227.576941	705.3806271	1499.67079	834.642233	215.2239713	1096.162073	316.0136809	1300.41225
4.55_650.3852m/z	650.3851732	4.5538	pos													5345.365634	5526.722249	4101.460867	681.843115	4777.32638	4663.082623	14469.02092	0.000297236	0.000297236	8851.783988	2754.1211	0.000297236	7891.300177	8446.337215	7005.40749	4508.540489	7174.120589	3448.88153	8923.575269
4.55_650.7194m/z	650.7193913	4.5538	pos													4695.180215	4021.945162	4144.167585	2011.046569	4314.47837	5475.281772	13251.82592	201.2287979	235.0355974	8961.980061	3802.394094	0.000297236	7757.203716	7305.031445	7058.668779	4417.428388	6535.206219	4756.436646	9459.786469
4.55_651.0537m/z	651.0537284	4.5538	pos													2143.312736	3200.551843	3262.236934	876.2074986	2567.006406	2439.901521	7174.040347	222.4717855	0.000297236	5217.625516	1644.25644	0.000297236	4052.243552	4172.453408	3799.408082	1810.776952	3771.206456	1417.211073	4839.844435
4.55_666.6025m/z	666.6025234	4.5538	pos													429.4000339	514.0518288	650.1282196	245.0564289	721.2400351	640.2792358	324.6304906	1277.824286	241.7364434	2160.950587	0.000297236	236.3620762	703.4658328	0.000297236	0.000297236	496.5156531	2092.207134	459.8848376	738.9410535
4.55_816.8892m/z	816.8891837	4.5538	pos													8396.02673	9329.545659	9311.290949	11969.16046	12719.57198	11155.06658	13172.02779	7612.452866	8252.435282	10504.91349	14083.51278	9526.031572	9835.132491	9230.825118	10378.51689	15181.41949	9857.577454	13984.36627	12303.49227
4.55_817.1401m/z	817.1400965	4.5538	pos													13109.01087	14381.99331	10149.90964	13404.92379	13191.95463	14176.7616	12565.97286	12565.73342	9592.406902	11745.41428	15844.89215	11103.05944	11838.57717	14926.64307	15412.57953	16254.05999	13851.19266	16320.83249	12038.68386
4.55_817.3907m/z	817.390683	4.5538	pos													10463.54681	9227.231371	11248.03467	15068.51868	12276.45807	10103.9367	13655.96305	12069.78931	10775.33193	11251.84749	14594.38472	11846.66697	10937.88497	7934.44489	13578.08718	14475.31996	11982.69551	15395.04971	13906.90131
4.55_817.6410m/z	817.6409769	4.5538	pos													6780.069565	9444.982071	6234.945763	7405.016242	9428.944735	5670.694715	9813.136401	7056.131851	7257.196299	6320.259152	9527.935842	8325.388678	5597.212971	8222.672662	8712.566696	9760.920027	7175.885411	9245.678259	6700.705148
4.55_872.4032m/z	872.4031692	4.5538	pos													4749.706394	4726.585131	4898.988434	3468.869614	3791.701049	5270.756515	5709.849295	0.000297236	912.1575291	4498.769785	2544.897802	849.4861119	4982.649092	4772.30643	5356.776208	5162.5754	4580.578917	5544.720506	4969.628916
4.55_872.7386m/z	872.7385963	4.5538	pos													2644.910874	3611.408454	4656.911499	3072.820955	3854.635763	3326.477623	3728.39984	0.000297236	0.000297236	7216.658686	3415.594782	1346.867208	4862.467534	3662.821492	6138.380645	5701.448052	4492.253057	5180.603743	4269.90572
4.55_873.0731m/z	873.0731478	4.5538	pos													2820.531178	2883.723247	2591.643829	2448.081708	3408.578264	1750.311238	2973.11601	0.000297236	0.000297236	3208.79456	2600.193866	1151.859273	3558.626562	1612.410329	3398.367906	2972.552847	2487.78312	3846.071237	5146.397473
4.55_954.0985m/z	954.0984798	4.5538	pos													10840.59076	8610.207038	8408.080608	9093.164921	6467.207875	8630.426059	13623.07176	3884.553781	2332.771023	15146.48884	11410.42074	1970.87985	5325.215256	8249.539525	7603.803183	10031.46242	9922.621757	11652.95148	13418.85437
4.55_954.4330m/z	954.4330016	4.5538	pos													8448.162813	10429.59914	9534.891624	11756.98352	5466.235063	9212.979986	12498.51315	2925.950138	1082.295497	15465.63451	15688.17664	1486.681614	9755.339798	8049.671365	9138.266757	9347.077345	7241.532071	10650.73796	12280.99869
4.55_954.7676m/z	954.7676273	4.5538	pos													7585.688887	8274.44556	4717.252077	6524.073896	3032.796062	5640.72564	11294.5853	1551.836491	1890.529933	8871.416225	12142.56866	1610.148332	5493.293328	7355.067579	5378.461984	7187.864511	6382.069494	7512.986496	7243.508887
4.55_962.0945m/z	962.094491	4.5538	pos													3074.770643	2220.562281	1744.003387	3934.582343	2219.809469	2678.010267	3051.174819	1120.618617	0.000297236	3297.52727	4688.308639	792.109569	1530.357365	3019.764918	1992.450816	2002.602968	1841.148068	2420.902076	4615.02066
4.55_981.1963m/z	981.1962779	4.5538	pos													1619.717355	2828.537912	2275.995667	3708.110523	1942.907262	1298.484246	3196.107458	4321.313405	4687.062713	3685.43603	3465.227803	5647.14419	6411.864995	6112.086103	3703.209341	2107.169622	3356.331132	4748.61411	3244.092146
4.55_981.6975m/z	981.6975306	4.5538	pos													3581.413628	2929.098929	2332.013641	2877.918951	2851.355371	1008.455069	3198.972359	2047.463665	4067.168748	1049.652628	4488.58659	4077.982748	3264.729397	1694.549982	2834.497416	2667.788458	3251.173727	4160.819453	1882.864354
4.56_127.0750m/z	127.0749603	4.5621	neg													397.2802439	455.1106666	393.424099	253.0639344	346.947685	352.1372329	244.9013507	1935.431458	552.378545	354.5430024	297.539421	290.0532989	304.6604757	274.41841	304.2764003	260.1584097	290.3335844	306.7246876	318.3173888
4.56_156.8935m/z	156.8935095	4.5621	neg													1400.247752	1537.297396	1461.642803	1521.596194	1540.592479	1419.093741	1371.576047	1490.818205	1663.184219	1486.245747	1587.202947	1071.912311	1390.466053	1438.546333	1431.716086	1520.59629	1500.798551	1683.419675	1385.88573
4.56_174.0218m/z	174.0218218	4.5621	neg													384.9307682	310.9422129	270.7032459	288.544325	278.1251479	254.8873559	169.4593584	843.3002456	961.9917554	191.4842223	260.982169	791.2710461	287.6271092	266.9443482	300.7600193	327.6382777	267.3177034	322.7066233	218.4229344
4.56_186.1125m/z	186.1125211	4.5621	neg													4093.312213	3959.849976	3935.065935	5460.905632	4536.872071	3419.682738	4475.833446	5117.12075	4644.402342	5995.448881	4832.048087	3648.520153	3945.753836	4557.254437	6236.302743	5552.426891	3864.573643	4552.336027	4168.420668
4.56_187.0602m/z	187.0601537	4.5621	neg													2438.852964	2565.173644	2471.884423	2479.774279	2490.846024	2530.054043	2462.101043	2531.232077	2553.076661	2557.674	3014.413114	2384.442463	2557.017185	2557.833548	2700.359189	2852.220533	2326.387397	2872.553555	2303.067729
4.56_291.9374m/z	291.9374167	4.5621	neg													2549.747047	2366.733771	2601.994824	19.0455709	6.313192386	20.03372201	29.63804671	14677.78671	17510.08894	23.34586322	20.93415865	12116.294	23.28844626	25.25739218	5.749465315	28.40790297	10.41556565	27.71587665	10.24220687
4.56_329.0230m/z	329.0230061	4.5621	neg													187.8709084	177.9266074	170.9305782	0.000297236	140.5728453	75.14104036	128.2858472	2145.815322	245.5374153	80.60508669	69.49165045	112.9926507	67.83583877	50.62032221	49.35950873	0.000297236	116.2555821	0.000297236	55.83552015
4.56_329.1370m/z	329.13701	4.5621	neg													1062.257469	1293.532723	1194.312584	585.9987673	550.1676178	673.0321309	834.7540278	570.97719	3390.638438	752.1414454	634.5865215	2141.397044	3875.072113	580.0905967	495.5816486	621.689459	1754.264578	1003.913107	1102.144412
4.56_397.0100m/z	397.0100121	4.5621	neg													83.2100494	61.53528559	56.01191771	0.000297236	119.7142081	65.29034952	0.000297236	1248.088999	283.3272697	63.72416394	0.000297236	95.48807207	0.000297236	0.000297236	77.04274004	57.47185512	0.000297236	0.000297236	83.46618236
4.56_400.9092m/z	400.9091758	4.5621	neg													1894.206921	1899.884601	1735.522346	2135.454882	1921.109076	2107.41233	2014.283048	2104.397517	2095.381684	2021.426623	2385.571223	1643.995133	1755.268913	1980.213235	2139.80642	1980.928704	2314.035112	2320.768735	1805.989376
4.58_105.0338m/z	105.0338051	4.575416667	pos													657.6766896	686.7964383	684.959514	639.3562175	708.3699553	645.2188742	647.1185238	542.9618348	777.079853	737.2382453	706.9877917	639.4821389	589.1614298	606.3338766	608.5535642	732.0471282	660.1912823	681.7417245	655.4786474
4.58_260.1492m/z	260.1492022	4.575416667	pos													1130.337681	1345.720997	1127.323699	748.8531544	1678.230407	1431.075136	944.6464947	2204.899441	1586.897239	1138.481946	816.1046529	2656.637359	1122.673523	1441.479954	1733.032639	1288.74151	791.0079998	1195.546241	704.0112334
4.58_310.1987n	333.1879273	4.575416667	pos													18737.86167	19231.47946	18824.59678	2833.625505	36095.54977	15439.47506	24714.37271	37008.45897	9966.813615	10107.47332	8686.147029	19234.40832	4407.576525	11203.00642	2833.563947	19433.70651	8496.487789	10014.61094	49046.24876
4.58_348.0175m/z	348.0175392	4.583666667	neg													540.429118	464.4538883	347.429228	280.1995592	200.5987015	238.2265368	303.346427	1737.876362	2003.696171	306.16527	343.2459632	372.9618895	239.0454309	264.4575649	258.4863889	312.4605383	340.3651254	306.6396124	347.3116171
4.58_356.2640m/z	356.2639562	4.575416667	pos													2935.435242	2709.998845	3301.69889	424.0973634	6059.908074	2626.701957	4390.103116	5862.954554	1447.890085	1536.688019	1462.439547	2936.473668	510.2294005	1574.83688	310.2128338	3146.643696	957.208253	1522.292802	8243.389412
4.58_359.1249m/z	359.1249362	4.583666667	neg													2530.719807	2584.359923	2456.088454	1714.273513	5271.186972	2992.122217	2385.823956	1556.502008	1978.563517	3572.065535	2030.984066	3020.532417	1611.408388	1464.424576	2854.892444	2846.845102	2378.449298	2947.749055	3030.645636
4.58_618.3273m/z	618.3272939	4.575416667	pos													827.8016014	1539.426248	1331.978149	490.5274693	1251.85488	1012.980427	2272.93204	0.000297236	615.8926138	565.1628602	1652.471377	255.188509	1618.974302	1633.510382	1099.308743	1602.258928	586.9276072	1237.937955	3094.519031
4.58_618.6629m/z	618.6628993	4.575416667	pos													977.8123718	1512.900451	1504.797911	1636.683587	1507.574119	1533.806872	1811.733722	313.790013	182.9588311	2019.188639	1733.278881	512.0686757	1513.162609	2748.833222	1809.00852	2296.928403	1072.008261	1850.581876	2276.488373
4.58_618.9967m/z	618.9967258	4.575416667	pos													602.5310954	337.8234699	600.209741	229.4314149	843.9102554	188.8269952	259.7843123	1.459856879	0.000297236	1605.061345	0.000297236	0.000297236	1243.249361	556.4916058	1300.360995	265.3731362	304.9171658	1115.92243	1345.992466
4.58_628.0094m/z	628.0093649	4.575416667	pos													931.2792323	1154.310056	812.0044195	459.6083583	1476.101794	1061.157296	1674.785054	1606.292487	807.2987494	2108.028383	1456.245071	625.6138663	1366.776241	956.2817794	724.0651061	1405.264724	320.9803144	272.073264	911.3253782
4.58_632.9981m/z	632.9981243	4.575416667	pos													1107.2335	1861.562513	1987.927242	2534.315724	1974.210594	2411.453433	2969.086687	6709.838131	4796.437808	1834.687838	1877.205411	3978.970566	485.6053388	1816.763452	2142.99753	2156.173976	2089.380127	2250.396155	1152.33259
4.58_633.1651m/z	633.1651229	4.575416667	pos													5493.881427	3454.74133	4022.284846	3583.176337	2906.994264	4854.778625	5080.08655	12170.7195	7198.699472	3001.814426	4867.55654	5613.831668	2110.572208	2969.466474	4374.013809	3685.781229	2346.293934	3498.767975	2972.497945
4.58_633.4992m/z	633.4992324	4.575416667	pos													2213.604535	3912.948012	3433.322534	4220.748709	4321.823659	4767.891362	3513.73564	9284.216752	6724.949641	2714.601836	3901.55708	4983.896008	2530.630767	3759.785112	2453.204261	3025.4877	2890.073541	2131.782002	2103.708041
4.58_633.6663m/z	633.6662698	4.575416667	pos													2003.689361	2527.952468	1606.90033	3469.566987	2764.050073	4655.727301	2302.221633	5493.114622	2770.743573	1923.20948	1483.761743	3089.439908	763.5676687	1635.960968	1806.912993	1619.91424	1470.100781	1442.68833	1118.027019
4.58_802.8846m/z	802.8846322	4.575416667	pos													1751.809298	1851.592434	2310.814428	2823.706844	2049.651839	1765.252852	765.1565845	2653.197237	2281.461327	1911.726355	568.5186512	765.8194917	2188.300287	1195.746447	2295.721452	963.102052	1181.371191	2216.760395	1454.890107
4.58_803.1352m/z	803.1351955	4.575416667	pos													1592.562405	1997.921554	2299.137192	865.1970931	2674.274668	2273.691212	1996.467449	2140.752156	2877.399185	1908.586872	582.5995069	1113.133265	1357.095748	1711.591625	1946.556401	2532.772046	1173.780527	2692.021744	2062.450956
4.58_961.7600m/z	961.7599535	4.575416667	pos													3285.2331	2600.798835	2752.321747	4520.764215	2873.811939	1357.263271	4408.371249	0.000297236	504.6918449	6796.512028	5703.372936	1481.590424	3366.891945	3860.805532	3624.203359	3242.970752	2370.451911	2809.091553	5167.040202
4.60_149.5403m/z	149.5403072	4.595183333	pos													380.6779381	415.9432465	435.6608677	205.6117927	313.2605026	728.0669717	265.396171	546.986177	848.9933047	841.5271367	296.9235125	264.0209481	328.1310767	390.9308538	218.06418	156.3965946	373.6846396	236.1566867	208.4857855
4.60_188.0374m/z	188.0374098	4.595183333	pos													1321.083887	1338.460863	1516.43696	1983.44686	1177.339607	1700.214301	1289.007831	1241.789228	1243.248506	920.7636518	1519.824384	1151.547249	1680.481353	1442.180256	1692.161157	1284.228267	1908.467058	1433.862409	1522.956516
4.60_259.1900m/z	259.1900153	4.595183333	pos													3055.732859	2610.298384	3211.251949	3120.940357	2750.726816	3050.325508	2854.876361	2087.765845	3392.594187	3131.272052	3167.823663	2909.089039	2749.069113	2677.844789	3075.988302	3372.683387	3117.905592	2971.967447	2702.60234
4.60_282.2271m/z	282.2271469	4.595183333	pos													3783.452198	5663.109551	4125.896613	3773.072072	4342.846237	4901.276736	6708.751103	5624.087186	6320.884092	4562.030696	7021.546943	7615.096418	7414.582945	6944.694341	5832.847933	5944.324007	3029.183105	4285.157332	6750.14369
4.60_298.0734m/z	298.073425	4.595183333	pos													1083.762475	1176.360325	1213.603016	703.5327922	941.5835905	1670.414638	571.4523621	1690.444259	2606.461483	1845.212126	871.100635	1079.657669	830.8267673	1401.369493	908.6715902	424.422887	992.9183565	817.9658012	875.4301575
4.60_350.0321m/z	350.0320719	4.595183333	pos													930.4898506	1055.515801	1195.935956	0.000297236	132.0526753	0.000297236	89.41969594	6313.931101	8133.083658	0.000297236	162.3375297	852.9005535	102.0871996	0.000297236	0.000297236	0.000297236	144.9758394	0.000297236	107.8376238
4.60_577.3207m/z	577.3206897	4.595183333	pos													2201.806893	2696.420941	3844.931035	3070.432686	3479.939567	3012.974357	5065.103847	5843.429556	4136.644876	2653.30106	3717.925097	4393.639719	5723.94893	6805.021091	2646.199922	3656.777834	3826.131452	3154.990968	3963.5307
4.60_577.6549m/z	577.6549174	4.595183333	pos													3420.731729	3150.376674	2719.083496	2568.31925	2439.853501	1526.599406	3943.824563	4434.132684	3158.973087	2557.097143	3136.370882	3768.489118	3942.840885	4268.345433	2443.412165	2643.227592	3025.3042	2561.268619	2100.35229
4.60_592.3184m/z	592.3184272	4.595183333	pos													1872.492539	1273.568219	1439.330841	1964.978656	2202.455606	892.7765093	2177.219485	783.6441175	956.5799486	1921.423418	1598.286721	1228.414813	2286.690967	1385.174057	2271.214277	1659.529282	1579.458969	1393.72992	1099.08819
4.60_659.3563m/z	659.3562948	4.595183333	pos													2706.45989	4358.681673	3997.906823	3221.777494	5299.345163	2055.892446	3820.18965	4475.685465	2860.481511	4258.849755	2507.34569	1379.910632	4599.66157	5006.66385	1811.367261	3842.659185	2001.090637	2828.046711	3786.962653
4.60_659.6073m/z	659.6073191	4.595183333	pos													1579.550695	2506.108765	2609.446136	1610.846181	4465.396383	1103.451398	3313.028818	3339.939077	1918.781651	3140.702402	1795.091182	1869.123951	2583.179128	2714.832037	1659.022911	2966.764193	1130.414911	1712.063519	1361.001667
4.60_767.1663m/z	767.1662981	4.595183333	pos													400.2699795	346.0106247	367.8642546	1266.252752	1027.779906	1162.054863	1423.1917	1026.160201	1194.706867	405.6818953	370.2397674	1958.883796	990.5319707	0.000297236	434.593604	462.3744033	422.3906903	967.4778482	443.2976264
4.61_142.0318m/z	142.0318169	4.6053	neg													323.2714279	253.6915979	303.1846868	397.1268382	227.9487602	352.4287224	283.1028008	334.2662107	408.8617397	230.074385	335.8771994	244.8679624	364.2068271	294.3867916	276.1512992	205.6824422	381.6947988	237.8683235	363.473329
4.61_186.0219m/z	186.0219326	4.6053	neg													768.5024026	549.7776081	742.7857532	854.5743356	608.6113681	810.6901937	838.7613348	723.1700388	988.4188491	602.4858269	885.8066419	524.512355	744.7066592	759.4199992	644.4750488	553.3477174	979.883673	624.0507145	827.2147785
4.61_269.1006m/z	269.1006265	4.6053	neg													7306.917138	7652.200386	7915.868998	3660.600987	6163.749407	12467.58747	4750.088152	11785.65127	17322.88607	11190.42265	6105.113422	8967.008597	5390.462424	6922.047987	5313.361302	3438.867894	5244.91346	4384.305125	4971.151354
4.61_286.0907m/z	286.0907193	4.6053	neg													563.5534156	752.4901356	550.9720449	254.3512017	436.3896459	733.016285	330.8174547	840.577844	1002.016027	708.4573202	420.3592075	735.3164854	389.9856243	500.8934375	441.6011151	300.9841237	338.64156	364.9933741	250.7775986
4.61_317.1241m/z	317.1240521	4.6053	neg													2448.7371	2847.96529	2518.91954	2398.760296	3204.272757	3003.782224	2100.74082	1893.974741	1135.517031	2334.278515	2286.027383	2189.624626	2006.173028	1390.923232	2206.365908	2469.988689	1765.01386	2656.723956	1998.774303
4.61_332.0750m/z	332.0749628	4.6053	neg													236.4614329	165.9613093	223.2368584	0.000297236	249.3300146	129.3744858	110.5605341	905.2021094	557.0196839	71.34576591	181.9863734	745.8224961	166.511272	193.1650479	198.2832742	102.4063781	132.8452298	191.1709891	81.24756013
4.61_341.0406m/z	341.0406117	4.6053	neg													366.2821344	388.5887264	338.6135197	1359.982735	0.000297236	0.000297236	413.7864711	0.000297236	100.2082123	0.000297236	814.1808737	763.4769993	0.000297236	0.000297236	304.5575454	668.6432882	799.1403517	595.4422635	0.000297236
4.61_368.0597m/z	368.0597092	4.6053	neg													484.1341682	420.5104408	506.5483245	1473.504721	0.000297236	0.000297236	583.1566225	0.000297236	77.71083681	0.000297236	793.7825377	800.3419119	0.000297236	0.000297236	629.3159165	756.4263559	978.1758011	872.0803928	0.000297236
4.61_419.0571m/z	419.0571448	4.6053	neg													2526.545629	2752.342223	2888.573128	9744.570514	0.000297236	0.000297236	3958.942087	0.000297236	951.5346829	0.000297236	6085.751576	5558.277719	0.000297236	0.000297236	3739.311025	5026.95029	5986.687547	5874.560495	0.000297236
4.61_473.0627m/z	473.0627271	4.6053	neg													1404.535833	970.9630616	1223.82028	495.0963796	877.2703453	1691.742985	672.1685256	1841.648136	2673.127627	2002.41585	876.7163083	1405.215214	811.968932	1191.690539	672.2430991	473.638539	560.598892	425.7497301	632.7531722
4.61_487.0445m/z	487.0445299	4.6053	neg													1232.776652	1351.216794	1814.100525	4871.762813	0.000297236	0.000297236	2316.085519	0.000297236	245.4794323	0.000297236	3215.693421	3231.14279	0.000297236	0.000297236	1614.851829	2919.025163	3061.020672	2796.593972	0.000297236
4.61_541.0502m/z	541.0501687	4.6053	neg													592.4307791	614.4588268	604.2359962	399.5141349	569.7134133	875.0043217	382.9186863	970.5489936	1576.558308	714.9774185	447.2520919	852.0872839	347.0865732	478.062742	323.1444554	270.3995862	202.4499753	177.6535683	398.9503925
4.61_555.0321m/z	555.0321464	4.6053	neg													634.8929973	675.63159	729.4765607	2485.652254	0.000297236	0.000297236	951.0672092	0.000297236	0.000297236	0.000297236	1698.256678	1344.689949	0.000297236	0.000297236	721.8196328	1635.61785	1589.612471	2006.333632	0.000297236
4.61_860.3390m/z	860.3390233	4.6053	neg													1391.392659	1099.112701	1228.679031	901.0217142	2142.487296	621.6258857	1595.126431	1175.439739	822.099297	1792.893288	1336.892388	1827.293826	1232.065339	1588.50122	1940.541046	1360.791336	822.9384348	1313.848751	2216.600063
4.61_860.8447m/z	860.8446719	4.6053	neg													3663.587447	4528.08927	4277.227992	3084.067095	3735.996729	3654.192862	3334.674835	3909.203723	3510.281296	4196.038468	5164.681416	3008.012961	3968.837022	3827.504472	4627.599486	4602.002844	3961.939311	3997.931311	3968.433701
4.62_234.0081m/z	234.008053	4.616083333	pos													4658.738407	5018.738411	4579.85837	5179.409551	5130.283121	4730.679462	3728.187151	4657.086232	4390.783916	4551.844252	4603.015489	4494.399216	4685.730958	5305.94738	5181.75027	5649.291865	5143.727936	4572.536999	4971.403307
4.62_234.1333m/z	234.1332963	4.616083333	pos													2639.99068	2871.802725	2826.453229	3135.765988	3046.672321	2873.855633	3077.214275	2460.92415	3746.519546	3106.607688	3024.553135	3634.123492	2808.764762	2746.05086	3176.806922	3197.226658	3039.107732	3034.748675	2660.324642
4.62_236.0051m/z	236.0050649	4.616083333	pos													3298.832938	3287.83999	3498.112552	3477.481624	3758.662584	3561.317273	2428.571845	3352.718007	3034.1145	3361.714179	3421.222678	3047.448884	3547.061273	3776.830586	3807.683743	4049.32156	3851.215277	3528.69325	3252.972798
4.62_236.1620n	259.1513274	4.616083333	pos													39734.16716	61648.90611	47452.88043	37100.18688	43067.9408	43287.69183	64580.6669	58804.95131	58519.14836	45827.13643	63482.06172	81943.82511	74996.91806	66433.20898	59787.98196	54813.96236	34480.73007	42429.63047	69927.21647
4.62_502.2987n	520.3325694	4.616083333	pos													22865.4336	20568.57339	18839.7682	18997.27237	18007.23441	20613.17777	18114.03846	20219.18513	20514.45853	19698.43548	22064.83599	21256.08744	21062.27955	22134.00316	20647.15439	20929.21524	25692.17449	21080.64409	19346.02533
4.62_664.3509m/z	664.3508933	4.616083333	pos													2000.285374	1734.393875	2428.639374	2975.158989	3616.369969	2240.930913	4753.041856	1196.355948	1449.23931	2228.4007	1354.219503	1559.095978	3482.015252	4361.258898	1759.617833	2946.385223	1478.904996	1552.177449	2075.828272
4.62_664.6863m/z	664.6863458	4.616083333	pos													1686.928143	976.2915139	1465.134682	1545.71414	903.9505625	1169.352728	2261.491676	977.9287027	1416.080437	1079.001612	1504.706221	613.0152881	1809.865616	2009.919468	1148.00264	469.6145621	1040.515884	1106.395495	1411.290686
4.62_665.0203m/z	665.0203251	4.616083333	pos													583.2560697	534.0475225	816.2047818	476.1935209	976.6972998	787.4017124	1418.39019	745.2336459	0.000297236	263.9817564	0.000297236	395.2762597	1741.849047	627.1949077	0.000297236	510.7803403	0.000297236	411.5458948	0.000297236
4.62_697.8744m/z	697.8744286	4.616083333	pos													2758.852331	2988.587231	2858.235931	3480.926272	4658.00772	4927.509182	2091.691729	1126.765203	600.2715163	4586.374644	2998.838597	2471.517337	2890.069105	2154.681942	2097.629777	2937.889499	3298.264865	2599.198868	4520.681653
4.62_698.1247m/z	698.1246559	4.616083333	pos													1366.010213	2038.556815	1913.725082	912.1461127	4284.339319	2438.499191	1346.307187	587.893431	325.58229	1715.030165	1875.982744	1128.401132	1503.292863	2050.620138	2312.942355	2209.08661	1306.994689	2499.212518	2275.816765
4.62_826.7846m/z	826.7846329	4.616083333	pos													1094.485794	776.3199477	1228.808655	1169.863673	2625.820485	1864.185243	1363.202858	2637.479157	2696.554901	2151.559245	0.000297236	463.9637115	742.9671185	935.9976729	531.354563	1744.235722	1701.136189	1330.964046	1926.116338
4.63_107.0487m/z	107.0487035	4.62665	neg													487.4886668	588.14483	554.2695729	901.9118459	658.7846019	643.6468554	636.4990657	331.9301917	411.2562922	764.5293639	733.7319976	525.1037308	404.0671125	433.9616168	498.0696041	439.4166929	479.0218119	540.1179963	312.7674863
4.63_159.0650m/z	159.0650126	4.62665	neg													1731.770843	1754.734847	1673.114358	1726.664558	2132.042113	2497.531108	1445.94127	1410.059713	1594.050823	2631.921353	1781.382445	1459.456511	2019.182471	1678.88655	2067.549266	1832.368734	1740.584788	2088.729408	1788.34855
4.63_183.0651m/z	183.0651427	4.62665	neg													672.6662108	715.8663667	700.5028248	545.0134208	1184.332204	714.5328975	511.3095555	783.576784	747.901178	611.7109682	686.6867205	504.1068401	590.0568924	656.4558163	642.8383461	552.1680556	523.5332433	709.4789872	525.0415397
4.63_219.0267m/z	219.0266513	4.62665	neg													890.6824895	964.6282483	936.0848905	1228.482006	1316.826007	1260.27582	1016.056831	677.1449394	754.787257	1563.18234	932.7915137	744.0495094	762.5243565	791.1151685	702.3514797	657.9286305	569.3906965	653.1278077	622.4631914
4.63_231.9931m/z	231.9930572	4.62665	neg													1185.573974	1153.344754	1241.084435	1303.414962	1310.876818	1074.015311	1040.07081	1203.210078	1150.454436	1085.21099	1357.891762	890.9535192	1069.523455	1096.211795	1162.02711	1175.217843	1135.960837	1089.517074	1112.581168
4.63_232.9862m/z	232.9862057	4.62665	neg													1401.900032	1472.202472	1581.628414	1569.656289	1361.842446	1365.923345	1575.398552	1456.96159	1658.623088	1595.882012	1778.467349	1020.467066	1391.219995	1526.521818	1382.861509	1389.762188	1284.181435	1688.122174	1348.522833
4.63_233.9902m/z	233.990207	4.62665	neg													765.019062	951.4749998	907.3231455	905.6318548	985.8669671	743.086495	845.246386	886.8825161	741.6636455	924.3782333	995.5384533	644.0189235	777.0492588	833.5603039	864.2099705	1030.560411	844.1108114	853.6358491	929.2291694
4.63_236.0172m/z	236.0171975	4.62665	neg													466.4847699	459.525893	500.294223	522.9743981	754.0942899	795.197032	662.6344473	415.1991699	322.5249167	1096.661025	579.0964334	505.5674455	398.7881071	530.7409361	392.3280401	262.0978953	336.7134403	328.1919791	341.0476519
4.63_254.9944m/z	254.9943679	4.62665	neg													2448.198582	2509.407657	2495.327576	8878.820486	411.8866	419.2751555	4308.675082	580.6101602	914.7161613	527.340658	4689.255243	4027.197898	521.5068453	587.1419582	4255.226606	4551.186672	4439.013786	4194.107725	551.7897329
4.63_271.9847m/z	271.98466	4.62665	neg													1205.519674	1071.763735	1290.352234	4412.064569	0.000297236	0.000297236	2225.706865	0.113875844	353.4242371	0.000297236	2307.657684	2075.591632	0.000297236	0.000297236	1871.293389	2236.634668	2175.011705	2091.048527	0.000297236
4.63_300.9740m/z	300.9740267	4.62665	neg													1442.862725	1561.81949	1627.520153	1639.450849	1541.662978	1491.621028	1544.528367	1650.552436	1763.213651	1570.898366	1526.782743	1140.477149	1496.756789	1588.152137	1364.809302	1520.454964	1601.764801	1621.817839	1453.097144
4.63_322.9819m/z	322.981886	4.62665	neg													720.6515133	692.5032208	767.3133392	3443.756332	0.000297236	0.000297236	1654.435029	0.000297236	176.6994759	0.000297236	1668.618261	1244.103277	0.000297236	0.000297236	1345.353898	1451.216669	1657.88732	1336.235687	0.000297236
4.63_392.1464m/z	392.1463639	4.62665	neg													789.0201729	867.7034611	1012.117001	71.53834207	275.7541736	212.2357791	296.4624692	7062.567125	5126.226538	235.3868639	84.93929782	2415.574943	192.7003532	285.4302937	59.91412248	91.49080993	84.65190899	93.18057641	155.457647
4.63_745.7956m/z	745.7956227	4.62665	neg													2787.473233	2268.108893	3358.377762	2948.292688	2906.674987	3451.475212	3895.87932	3215.194349	1822.907906	3645.076782	4933.343819	1994.738118	2383.324354	2547.446049	2157.377124	1962.212833	2884.903348	2701.655899	3018.600359
4.63_756.2845m/z	756.284546	4.62665	neg													1212.50526	1128.240958	1118.739243	2134.270742	1365.425415	1346.680719	2085.935566	1905.543713	687.2642828	1703.848246	1793.023302	510.555098	1052.369054	608.37592	733.7038783	1118.597111	1204.272816	751.2306622	774.155053
4.63_756.7863m/z	756.7863334	4.62665	neg													430.5971774	659.4523956	777.2268074	1001.384935	408.3509862	628.7287913	1085.031168	1039.473535	0.000297236	775.6574137	974.0638011	178.3592995	514.4173499	712.1438408	391.1676355	0.000297236	722.8330503	903.3419591	468.0125583
4.64_174.1486m/z	174.1486044	4.63615	pos													496.6574528	569.7738727	626.2705724	720.3038226	597.5678971	482.2790256	602.101568	671.5064921	742.794818	720.3729291	551.6796492	624.6857017	554.6009543	612.7969698	715.2763648	805.9603758	598.7698258	635.6709424	541.8891015
4.64_266.1725n	289.1617066	4.63615	pos													6083.650434	6924.085855	6566.557518	3096.964762	7950.905572	6254.415001	8302.480839	9053.240312	6292.314006	3819.423859	6568.134839	6238.29562	4458.000377	9037.688888	3617.310403	7231.448034	6289.723813	4078.089496	10302.20423
4.64_668.6012m/z	668.6012472	4.63615	pos													1538.713891	1582.830055	1455.442507	1090.394335	1487.241642	2448.374992	1088.092566	1266.257294	1054.117038	608.6380825	617.390991	0.000297236	600.2340866	1096.237803	876.0737806	1396.824793	1828.449578	1034.503246	916.0996538
4.64_668.8522m/z	668.8522433	4.63615	pos													2415.858745	1553.63716	1786.636476	1700.450426	2323.765198	4212.333817	1480.812756	2232.447225	1794.926351	1088.529816	893.3627422	790.5122641	1909.415308	1809.631098	1555.735715	1100.539071	2540.449562	1903.885157	1130.935843
4.64_669.1026m/z	669.1026398	4.63615	pos													1003.239738	793.0337392	981.8395996	1896.84658	1891.550765	1772.288948	636.297621	1618.801453	1020.087243	1083.954917	1092.272387	790.0313229	513.116846	881.2635372	1409.488328	958.1504727	1185.109937	1498.049303	459.9919159
4.64_747.3078m/z	747.307834	4.63615	pos													1883.783462	2912.930609	2269.065758	1243.776472	2428.900234	1806.07048	3890.668765	4248.653328	2318.441	4232.137091	3798.242253	1185.552623	1041.495863	2122.32832	1401.25648	1503.722821	2550.300042	2915.630212	2700.08796
4.64_747.8096m/z	747.809636	4.63615	pos													1622.53896	1445.805539	2086.148666	2398.601323	1604.637967	2352.110391	2268.928728	3446.937234	2204.007748	2855.497539	2241.339422	722.2427903	916.8863645	1426.591811	2111.660159	1186.924659	1792.28065	1851.469674	2088.879434
4.65_189.0758m/z	189.0757852	4.647516667	neg													701.4371854	639.8048017	732.4043644	526.4043835	1739.358706	737.2597571	498.9140665	1556.921373	757.2394822	838.4948816	541.8143522	783.4502795	534.3084597	707.4485824	706.266744	631.6405655	679.6972389	758.4584213	510.7277019
4.65_240.0849m/z	240.0848778	4.647516667	neg													1181.776858	1301.360827	1276.095978	1523.612341	1393.47416	1242.959257	1145.686145	825.7527272	560.0196205	1281.921017	1100.112625	904.7123931	1382.366967	1419.676729	1345.734192	1178.277501	1349.853598	1398.917126	1665.016333
4.65_283.0029m/z	283.002888	4.647516667	neg													796.8868416	780.8737365	795.0262068	598.9156849	890.6045017	1009.773296	1180.42344	957.7661174	918.1063876	862.4571241	866.5202767	371.1607459	1015.564623	959.1368959	1021.27831	761.0378895	876.8312648	529.5267066	964.7701798
4.65_294.0231m/z	294.0230968	4.647516667	neg													4644.610979	4629.211289	4950.346805	4466.25006	4680.0943	4767.542497	4916.520514	4991.395066	4754.983157	5065.423388	5087.501195	4419.500897	4816.797623	5319.841812	4723.341605	4662.943077	4553.863526	4893.999427	4552.511869
4.65_308.0728m/z	308.0728131	4.647516667	neg													753.4794635	781.7501008	644.8729286	836.9456472	676.8970557	596.799203	764.0671295	449.7772812	1045.689617	740.2115911	534.9490124	633.2042546	1206.796759	790.2996804	635.2532463	729.1742521	840.2182453	875.2099683	763.5695853
4.65_345.0202m/z	345.0202063	4.647516667	neg													4934.322188	5175.653743	5324.178782	5473.576688	5220.352817	5350.044813	6083.221436	5556.828733	5373.600651	5223.737002	5576.897427	4920.59718	5519.123603	5481.650293	5764.054498	5340.815827	5017.688765	5293.809541	4644.99897
4.65_413.0078m/z	413.0077816	4.647516667	neg													2651.914506	2824.034967	3063.279605	2946.674615	2790.530165	2954.660421	2647.543919	3052.176838	2386.644408	2925.009122	2934.81375	2567.509573	2752.525775	2930.58264	2867.415837	2711.237343	2759.611669	2969.343389	2799.060781
4.66_173.1051n	174.1123524	4.656683333	pos													16366.16097	15367.62027	15918.61612	16903.38554	15754.93678	16253.64402	15591.29114	15680.96596	14862.02502	16930.38509	16906.33025	16715.27564	15292.86339	15860.09583	18061.42459	17218.06906	15782.97967	16912.0426	16118.59958
4.66_214.0032m/z	214.0032124	4.656683333	pos													5322.449341	7374.617852	6289.474694	7258.920315	5482.693231	5235.262679	4454.905054	10886.32247	11682.80944	4681.910364	4581.696376	14742.07686	4886.779016	4511.127814	5211.615997	5183.519958	4655.87065	5113.681327	4196.650636
4.66_216.0001m/z	216.0000584	4.656683333	pos													1035.487018	1318.830702	1220.809512	0.000297236	43.71212424	44.55854518	48.76428811	6679.110516	6447.796129	53.77503295	105.7830397	8339.242037	194.8786902	150.3421259	115.4054998	205.5531272	90.62518439	89.04377249	39.67342572
4.66_686.2465m/z	686.2464536	4.656683333	pos													2625.461383	2378.708043	3899.957771	3537.472339	3255.774741	1883.05783	1873.863191	2771.416261	3151.144684	3082.621525	4153.240261	3025.110672	2001.337662	3964.845217	1407.61267	3662.118024	745.3684263	1859.87336	2348.949618
4.66_686.3722m/z	686.3721829	4.656683333	pos													3151.996604	2449.264471	1933.865931	1691.084275	2628.578122	2437.260307	3549.214197	3336.931761	863.0971541	1270.347112	1764.12766	2227.310052	2908.002829	945.3411701	2278.711768	1622.596969	2331.966482	3059.905794	3459.026031
4.66_690.0435m/z	690.0434689	4.656683333	pos													1910.797681	2023.62879	2673.288567	1904.099214	2699.161059	1170.800054	2631.659455	1841.968445	839.8137849	2334.987687	2092.98842	1002.959869	1372.161245	1992.805704	3092.821693	2035.830435	2474.870656	3158.880406	2746.874212
4.66_690.3780m/z	690.3779713	4.656683333	pos													2249.37705	2408.836701	2313.652754	2427.834411	2868.762732	1609.340545	3424.603121	2241.117404	1102.114033	2723.415567	1503.24548	1419.117714	3064.409192	2861.637719	3956.740904	3320.084822	2392.128425	3850.8564	4080.724571
4.66_718.3768m/z	718.3768105	4.656683333	pos													3132.799696	3458.042637	4375.187912	3085.120327	4299.679479	2209.734696	2487.992767	1283.91033	1803.410018	3371.256061	4503.392971	2703.814433	4038.402118	3227.720142	2830.147172	2065.080737	2199.734279	2082.887488	3805.039814
4.66_719.0454m/z	719.0454155	4.656683333	pos													1423.927188	1267.458996	1003.364136	1083.304245	1553.576974	925.6490497	1370.830971	0.000297236	0.000297236	537.4305895	1298.874292	0.000297236	1561.315143	1574.07028	457.8958476	1735.727358	309.2225278	1067.106787	1662.907897
4.66_914.4931m/z	914.4931173	4.656683333	pos													2770.70944	4320.179294	3321.388855	1582.45802	3762.861437	2127.719922	3356.40239	3016.604979	2925.318701	5754.146692	4796.037368	1958.238923	4331.293215	3570.265133	2100.5171	5166.082809	1719.432136	0.000297236	3161.044474
4.67_142.9913m/z	142.9912524	4.6682	neg													429.7144726	303.3853928	396.1857972	297.6607172	302.1607339	241.938725	392.5319869	323.2579088	394.1262178	416.8682298	349.6730267	355.2090409	412.5296151	324.79699	420.7105795	414.2995704	365.1414273	480.38466	379.9760678
4.67_213.9308m/z	213.9307574	4.6682	neg													92.14730564	69.86538746	107.8913637	84.33777105	118.6334598	0.000297236	62.30705814	588.2790383	862.760883	0.000297236	27.76399857	191.6438649	0.000297236	84.83169713	35.69068439	96.21987143	32.89780643	36.12396425	55.73448966
4.67_314.9322m/z	314.9322421	4.6682	neg													5245.113467	4218.966608	4728.814696	5237.328671	4716.805267	4532.920588	5057.860204	4967.451647	5669.985334	5272.981175	5622.264912	4385.000741	4641.780862	5081.367571	4933.007969	4931.872894	4665.557554	5358.550497	3951.559929
4.67_322.9131m/z	322.9130678	4.6682	neg													1630.783885	1582.302355	1780.346193	1862.034027	1743.346825	1894.003754	1731.02943	1940.07518	2478.475127	1967.360058	2465.049642	1390.455353	1673.808933	1681.351879	1905.543202	1912.030212	1526.358192	1872.054597	1299.873112
4.67_514.3245m/z	514.3244758	4.6682	neg													1047.793564	1040.929646	982.7594849	436.9317637	105.5593858	203.5963523	375.32262	1506.631144	1027.781415	167.5191886	470.49106	7297.147426	438.3929223	481.0058177	324.3339514	281.8149075	245.4116524	113.4525646	235.7473138
4.68_374.2282m/z	374.2281687	4.67675	pos													7452.092534	7460.476023	7517.039609	9226.051863	7590.929709	5261.136556	10032.26919	4330.342092	5207.701818	4786.965708	9724.997688	6740.570756	8617.852803	8546.702938	8458.265423	8001.660553	8511.042341	9484.027133	7863.20364
4.69_182.0413n	163.023493	4.689533333	neg													968.2220339	1125.465638	1190.769148	835.5150388	1217.016689	782.1539645	858.656525	3502.018091	2339.410251	865.2495193	855.9013475	2603.418477	1199.950816	1058.783971	956.1959894	773.3735216	843.5020369	878.4641963	917.8494462
4.69_208.0607m/z	208.0606726	4.689533333	neg													669.0260041	617.492204	667.2442609	640.1380415	969.5636337	719.6454516	672.7267421	568.4314334	728.9218129	722.1209547	695.7459742	543.8783293	563.4430762	461.741741	617.4299942	718.6067568	488.2522083	718.8051316	684.5051023
4.69_226.8739m/z	226.8738971	4.689533333	neg													247.8542925	195.9768669	238.8478653	2.516192617	0.279391907	0.000297236	0.575125482	1203.34715	451.1990275	2.154381371	0.637235726	3052.08274	0.797053523	0.000297236	0.155412791	0.265253243	0.589533293	2.612184005	0.535654065
4.69_321.1455m/z	321.1455295	4.689533333	neg													235.090942	146.4763039	237.5675985	363.5680179	260.5702132	131.6774426	272.2632776	0.000297236	0.000297236	181.3684564	326.5835253	186.3013888	269.5009986	687.4130175	383.2097472	234.335962	174.6614152	396.2828126	232.7625753
4.70_111.0531m/z	111.0530707	4.696333333	pos													563.5762813	592.3353787	593.2403863	668.3766787	540.0696372	598.185704	477.4205208	560.6324269	556.4921784	558.4956647	575.2544379	693.4313426	554.8103867	509.2129709	646.4456314	660.858454	543.3334869	539.7158989	550.5662845
4.70_546.3248n	564.35861	4.696333333	pos													17042.28481	14581.94071	14395.92601	14592.88	13716.7109	14480.21826	15491.78119	15143.2093	14487.47713	12241.99398	17233.85554	13057.22976	12879.46041	16127.90313	16308.98236	15114.24573	19565.83701	15394.76046	14014.99508
4.70_597.5548m/z	597.5547541	4.696333333	pos													8400.887998	8544.340092	7847.485152	6547.907814	4377.528263	8013.572587	7801.207067	4895.781453	5127.161142	7013.754736	8497.221164	3902.913065	8516.19874	5526.03752	8279.495844	7729.107673	10883.01878	8746.119274	8007.460191
4.70_597.8054m/z	597.8053888	4.696333333	pos													5115.895817	4898.713131	3716.356781	6492.596182	3197.768211	6357.250585	5044.92553	3333.015659	2409.00791	5157.80024	4727.876841	3669.713882	4241.366393	5776.826686	5412.179738	4963.037133	5874.708498	6268.389733	4517.986783
4.70_598.0558m/z	598.0557687	4.696333333	pos													2043.559466	2422.296584	2372.742203	2424.34621	1658.763494	3162.298864	2460.20946	1773.765688	1251.806329	2692.08369	2803.69659	1508.982998	3000.71267	2568.569307	3016.746409	1745.988356	2879.197611	3343.215279	2520.323518
4.70_654.5386m/z	654.5386178	4.696333333	pos													1386.840233	1311.008877	960.593515	1342.027483	1918.164931	1924.847962	1593.996352	1100.684032	1040.095803	1519.637994	1959.526546	355.5426804	1368.801119	1844.814066	2869.853809	1659.603776	1439.823466	2002.935122	2089.349956
4.70_654.7895m/z	654.7894598	4.696333333	pos													1428.808042	1961.439876	1166.216196	1564.648084	1701.506528	751.5139777	1594.931696	471.9350393	878.6809467	865.7490993	2175.512205	0.000297236	2114.998942	2535.194711	2572.478076	1436.445691	1693.956382	885.9646267	1638.669313
4.70_787.8823m/z	787.8823048	4.696333333	pos													2273.588936	2391.477977	1625.125763	2240.353754	928.6012551	2177.611417	970.3525157	814.9820721	1594.3356	1780.273322	969.0992015	1277.993674	1960.287999	2489.286931	2869.231009	2856.645639	3152.720195	3007.404742	2045.111295
4.70_796.0693m/z	796.0692996	4.696333333	pos													1891.13045	1494.530027	1384.605942	1905.190362	571.1385687	1808.896062	1260.554159	964.6076753	1376.369154	1656.153508	947.6040871	843.4304996	2337.171615	610.990634	2887.780393	1984.257932	1068.673906	2883.819297	2184.176273
4.70_796.4031m/z	796.4030672	4.696333333	pos													2852.457854	2220.906729	2250.939655	2785.882707	2186.486783	3929.254958	2437.094589	1224.140228	1625.939592	3259.680156	2648.934129	338.1677612	1860.113368	3818.332316	1509.976441	2086.681386	2076.308953	1613.061016	2637.189622
4.70_796.7374m/z	796.737356	4.696333333	pos													1176.015118	1052.701804	1296.390449	1318.736162	1327.613207	0.000297236	705.1651046	764.2329487	1073.550004	993.6205051	761.0656409	769.6969014	1055.663715	1484.195027	1250.649461	1784.43509	2531.712582	1912.85172	860.6857643
4.71_228.8709m/z	228.8708552	4.7107	neg													557.213781	653.9315928	858.7960805	355.5297382	341.1510769	318.9897079	351.3966036	1757.797255	889.2606438	339.7167386	475.4620057	3270.388144	357.3188153	401.9022779	342.0569801	358.8804841	323.7263227	312.094816	306.6787547
4.72_267.1563m/z	267.1563269	4.717383333	pos													4319.542963	3276.576237	3221.980847	3981.375465	3188.607402	3280.014123	3299.756124	3186.97106	3458.043796	3667.017713	3793.590298	3791.1545	3826.423732	3423.877984	4400.011393	3768.452108	3783.026403	4121.003452	3710.097122
4.72_286.2139n	309.2031412	4.717383333	pos													33569.19725	30333.38346	30207.68375	28925.0847	32970.13288	31874.22996	30766.42964	32125.73175	30568.13561	29167.18681	30052.40409	33597.19935	27143.80759	27534.63589	28975.62606	33235.32467	28755.05008	31398.11696	34047.19742
4.72_354.2249n	377.2141311	4.717383333	pos													2760.857613	2008.103416	2339.992587	252.0024038	4918.60871	1521.579323	6700.951987	6784.552188	648.0446393	853.7406275	550.6874114	815.830976	1211.250894	1136.521503	287.8242493	2651.943931	137.2495749	2242.595829	48727.13977
4.72_518.6214m/z	518.6213678	4.717383333	pos													1206.273819	1981.343401	1415.983197	562.7973322	1492.127883	1598.523656	1623.879925	159.5280034	0.000297236	2162.103632	1233.651806	0.000297236	2244.822855	1897.190414	1567.949783	971.9011793	1234.949368	417.1040215	910.4611649
4.72_519.2902m/z	519.2902447	4.717383333	pos													1076.746823	808.5281034	702.2556367	0.000297236	483.1407396	352.9202378	501.0160375	855.9145055	162.9361432	1005.920522	436.9457642	429.5885411	1599.61738	1357.324769	783.2816999	1034.612049	1175.776323	193.9535802	398.1842865
4.72_777.9293m/z	777.9292757	4.717383333	pos													2154.077269	1616.245564	2349.998229	1128.001783	3850.688355	3068.752371	2898.082023	394.4224686	275.6982886	2862.651088	547.6039772	51.58357488	5902.196823	3159.477541	2736.720168	1213.884574	2193.280437	1461.050005	3317.124357
4.73_173.0807m/z	173.0807332	4.73175	neg													7437.881923	6848.26794	6909.640348	5931.863924	7371.465846	7904.594348	6658.075916	11595.75909	8546.502734	7088.46775	6615.401894	5765.698665	6155.09309	6767.195479	6817.963409	5987.108207	6176.124828	6514.886139	5627.606209
4.73_195.0627m/z	195.0626876	4.73175	neg													1049.661648	1229.060146	1334.062902	753.8408246	1231.202839	1455.758539	912.8921768	2634.675542	1692.636039	1238.601197	1037.198267	836.6487398	862.9598106	1105.627744	1052.150825	820.5021486	884.6076512	833.7173103	861.2618831
4.73_241.0100m/z	241.0100144	4.73175	neg													15390.85764	15155.19378	14961.24528	15529.13279	15730.67871	14979.52826	16165.42522	15081.66311	15424.72281	16305.72459	17767.91032	13655.20519	14668.36888	14942.08067	14919.23469	16121.62374	14607.80617	15591.68409	14496.02831
4.73_263.0511m/z	263.0510768	4.73175	neg													798.2055641	876.1258044	753.6907975	396.2679906	831.3532935	1059.495036	521.7228858	1624.783171	1059.182561	787.9394132	612.7264353	472.56696	620.6839668	645.0638412	686.959043	469.5359635	601.0608922	606.298422	548.9064483
4.73_297.9566m/z	297.9566383	4.73175	neg													4750.914264	3516.923001	4246.466275	4382.625378	4492.667402	4208.204899	5086.155545	4426.239768	4755.089498	4405.087291	4844.217757	4068.840726	4593.203409	4720.477357	4257.513524	5175.832205	4674.348085	4851.949843	3582.625064
4.73_299.0648m/z	299.0647734	4.73175	neg													2033.928733	2058.787208	2404.286965	2346.457076	3533.010235	2903.262854	2036.739297	2955.618004	2648.640709	2631.811415	1865.428105	2637.571604	1775.869475	1788.170812	2207.187297	1500.780197	2446.275516	1757.480558	2157.604022
4.73_340.1874m/z	340.1873651	4.73175	neg													416.3581962	366.1583277	336.2899246	68.83383764	231.7439184	161.0536853	224.0619146	1504.7605	1392.886925	242.5432288	111.0485089	1113.273724	140.7746367	99.78319599	104.1121962	95.7947165	62.96727021	135.616829	239.0592586
4.73_367.0521m/z	367.0520794	4.73175	neg													1060.281088	978.9402263	905.8775718	968.1226315	1698.437849	1336.244568	867.7672427	1239.984663	1183.630703	1162.81795	789.2369619	1146.920213	819.59569	959.1245702	1080.99961	804.6682963	968.1224792	844.7443217	1012.624445
4.73_530.2793m/z	530.2792611	4.73175	neg													2104.409904	2258.071679	2252.066044	863.2470207	1686.002929	1166.435305	1354.685524	2352.719369	6882.758544	1211.552968	1627.301709	6176.213989	1981.656157	2153.794556	1950.96319	1288.944586	1498.263455	1281.075712	1387.760824
4.74_1011.7732m/z	1011.773175	4.738216667	pos													4376.425073	3452.735173	6018.312866	2946.047901	1601.7272	3429.35271	4847.373147	3797.619193	2789.745375	3908.361697	5471.38846	3114.029799	8011.699802	4728.090105	3492.604508	4492.719609	4462.912947	3730.806623	3878.834402
4.74_1012.1080m/z	1012.107999	4.738216667	pos													7398.068096	7632.893645	9082.273681	5001.443114	7910.323018	10000.93229	9156.688164	5228.518391	7334.784936	8046.617431	11626.58655	4263.26025	10057.83013	9824.32613	9224.352137	11104.07498	8573.236429	5933.883566	6732.176348
4.74_1012.4413m/z	1012.441339	4.738216667	pos													6651.421789	6118.016592	4646.31901	3747.092466	4640.218426	4116.152719	7694.833128	3534.185246	3033.58404	7821.999159	7710.091925	3561.432683	7179.850875	7561.743729	7453.16138	5649.33928	5885.278188	6344.092666	4857.239049
4.74_1012.7753m/z	1012.775284	4.738216667	pos													4435.94413	2620.820193	3448.347927	1679.234414	4519.125718	3182.542308	3804.13717	2640.33084	2588.323687	3074.923607	4310.018292	2075.130432	5492.799479	5991.294226	2617.2707	4103.422721	2542.442953	3270.655867	1561.362263
4.74_204.1053m/z	204.1052713	4.738216667	pos													812.1599774	945.6130724	788.6382341	617.5307958	1035.902623	850.8072805	1089.845119	517.597973	506.7943323	1142.196986	814.6876965	561.9127755	965.953055	1131.768073	943.5372809	1051.888351	754.9018149	570.9568792	587.8213329
4.75_203.1146n	202.1075456	4.7531	neg													48538.76698	49288.99215	48881.92973	51231.97461	41681.98071	67002.38171	40711.57153	46513.79839	35743.52361	44660.21111	35360.40037	55538.15165	49824.09102	43973.21755	56386.90561	38585.56746	56039.69107	55177.02708	83571.54021
4.75_238.0692m/z	238.0691875	4.7531	neg													427.8259002	287.2569957	341.3626776	119.829882	673.1939531	183.1416907	151.4820379	1379.117231	720.0770813	145.9721703	174.9284416	161.1604864	244.7704589	316.1733501	280.7749687	262.3664801	351.4550568	231.3942443	228.6295228
4.75_260.0669m/z	260.0668662	4.7531	neg													918.1492621	977.8874029	895.188917	1063.001218	825.8780119	1239.899931	748.0595158	881.8969732	704.8228081	896.2369544	790.3776163	1097.743346	1004.057651	765.2516687	1213.502506	711.1118762	995.1193277	1042.10054	1669.885237
4.75_270.0958m/z	270.0958162	4.7531	neg													14677.31758	15855.8029	15582.21967	15875.17927	13334.5753	22005.24148	13245.612	15072.79328	11028.65298	14189.56976	11017.42247	16981.91074	15581.99676	13694.14832	17643.95776	12248.61493	17170.22446	17520.50474	26584.39487
4.75_328.0545m/z	328.0544837	4.7531	neg													1055.9462	972.9000428	1035.692679	1417.363254	1203.41992	1280.616301	1237.627818	620.3552507	773.8748963	1348.201203	882.6036967	1059.512853	1104.186334	1021.441827	1068.94377	919.151293	1240.590442	1274.635817	1798.84186
4.75_396.0418m/z	396.0418478	4.7531	neg													588.8219056	453.5009806	686.523694	771.5969325	538.6516301	661.5958975	309.4239154	388.719158	283.5856404	289.3310922	466.2182971	635.6478628	685.150211	535.5002128	854.2662943	486.8643189	594.0729921	625.2452965	1086.989311
4.75_406.0705m/z	406.0705473	4.7531	neg													4202.80117	4004.027398	4214.396407	4665.666695	3988.205012	5762.396725	3954.584253	3827.261702	3437.048953	3870.218236	3053.591507	5084.460637	4312.793861	3964.06676	5197.79959	3468.313024	4948.385095	4774.3889	7478.96006
4.75_474.0579m/z	474.0579443	4.7531	neg													2310.367866	1998.167543	2300.060732	2251.330165	1996.479052	3393.189935	2189.814077	1926.526309	1919.565988	1994.214793	1849.486924	2711.406652	1954.080925	1898.555642	2867.342607	1774.058702	2713.94368	2621.160021	3784.329832
4.75_542.0457m/z	542.0456649	4.7531	neg													1392.728961	949.3107858	1327.606689	1057.918123	1173.763374	1838.440631	1122.268804	1173.250543	908.7585058	1147.334556	985.6295728	1750.945016	1427.226126	1039.502509	1634.920175	781.43621	1531.832643	1546.92372	1998.979392
4.76_130.5332m/z	130.5331843	4.759316667	pos													808.2097692	658.2895228	709.0911546	756.3611893	632.7391887	749.7211993	734.1510688	692.7727485	607.2433049	733.7430117	618.2359576	655.0412876	743.6867377	813.7192797	846.0616487	733.5472244	772.1181277	781.8682318	742.1054303
4.76_170.5512m/z	170.5511713	4.759316667	pos													2018.432198	2055.00298	1890.599781	2391.099558	1539.979532	2551.741591	1665.837204	2093.02788	1512.562354	2047.832049	1388.273484	2384.267467	2007.267703	2141.304414	2424.394865	1477.092205	2180.58475	2483.867824	3656.787525
4.76_211.1690m/z	211.1690066	4.759316667	pos													3753.352104	2906.306113	2933.325516	3030.934589	2811.571706	2837.893374	2624.072211	2934.426806	2991.011338	2963.569917	2953.265632	3476.407631	2926.827667	2854.110866	3253.499967	2971.983266	3120.234774	3026.986658	2731.88179
4.76_280.1881n	303.1774039	4.759316667	pos													42593.5365	44818.57834	41309.0648	19208.65748	51506.78402	30402.44659	48623.53966	56995.21152	32985.95507	19741.83897	35316.13859	38852.40026	21660.60037	53388.89716	26308.42009	41461.38091	33642.8995	26569.04315	49277.95105
4.76_812.2215m/z	812.2215381	4.759316667	pos													5878.469978	8286.629239	6467.269495	5111.546414	9333.989965	6463.687102	7588.781306	4803.135493	3583.593612	5714.964952	8551.719837	5727.402906	9528.242785	8377.868376	6570.401684	6422.69865	4976.644845	7669.955205	5327.353601
4.76_812.3878m/z	812.3878333	4.759316667	pos													10428.55728	8051.649443	10517.51362	10734.5566	7541.516509	12465.58491	8521.537168	6075.245351	6209.718537	10215.72127	8574.277019	8489.691296	11574.60037	7513.832442	9829.731366	12195.46757	8947.32531	12062.24018	12003.54868
4.76_812.5557m/z	812.5556938	4.759316667	pos													7161.111149	11303.96623	7568.290435	9391.550828	10631.27519	7523.659741	9316.870093	4489.789263	3941.47478	8331.958929	8480.931733	6775.073624	11335.03485	8074.130524	10290.77251	12870.42687	5737.078669	8807.788253	9759.858931
4.76_812.7220m/z	812.7220227	4.759316667	pos													5603.229594	7714.366484	4806.885307	7613.28725	6715.949876	6511.004402	5290.990869	1747.258345	4876.36806	6651.970611	6592.523183	4854.84798	6064.960252	6277.706205	9169.952207	7975.305544	6600.151008	5335.913085	5592.812183
4.76_812.8889m/z	812.8889291	4.759316667	pos													3795.927133	4199.553313	3324.461915	5102.89349	2646.390192	5376.820602	4121.658712	1659.922655	2169.206651	1431.501074	2100.106808	5184.778038	2251.019164	4071.657626	5198.107663	4633.428508	3852.434339	4970.962091	4382.415032
4.77_135.0437m/z	135.0437328	4.774216667	neg													2416.84436	2046.590807	2162.072655	2211.477115	2317.818638	2286.054266	2310.545431	2083.445682	2362.418355	2205.909149	2425.117327	2134.016566	2096.804108	2456.726509	2329.35693	2422.257297	2376.563787	2538.612938	1901.967034
4.77_179.0339m/z	179.0339217	4.774216667	neg													1761.278672	1279.911432	1508.913227	1887.560752	1572.572422	1454.764773	1825.171816	1472.872133	1470.645982	1497.738385	1660.187432	1729.701798	1558.823394	1650.91852	1619.821102	1841.167854	1653.594232	1794.481697	1456.836775
4.77_400.9092m/z	400.9092104	4.774216667	neg													2360.895894	1919.574622	2516.085191	2309.171362	2778.377505	2275.430788	3170.608522	2720.008676	2981.955393	2425.34889	3276.468769	2340.303799	1883.336388	2347.949696	2710.984708	2894.587658	2687.427724	2845.10728	1602.687682
4.78_277.1428m/z	277.1428498	4.779633333	pos													3975.427051	3441.84513	3186.843395	3565.848889	4127.393176	3203.593888	3558.001812	2787.128325	3063.579423	4369.363182	3342.487865	3036.841232	3244.388033	3446.049934	3753.235921	3701.784911	3898.350341	3412.242324	3303.42756
4.78_556.6294m/z	556.629394	4.779633333	pos													998.9555718	1266.995415	1144.40799	2252.75222	1877.658952	1579.423973	1625.80528	1193.239703	726.4200822	1449.376813	850.2179127	1296.646798	1248.664153	798.0682931	1213.095594	921.1112134	1158.442232	1174.652224	2961.119383
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4.78_715.8426m/z	715.8426012	4.779633333	pos													2727.361461	3413.951119	3049.902774	2691.795	3370.238786	0.000297236	2563.119891	609.7894529	2691.886125	3620.35749	3158.328979	893.7730999	3579.185917	3508.166911	2667.664473	4481.042589	3024.864891	2950.123699	586.3858466
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4.80_304.2114m/z	304.2113711	4.799383333	pos													8564.031911	9201.809225	8265.252722	6250.552692	6943.567793	6885.119838	4694.718466	18613.87894	22377.96861	4873.491364	7438.012052	14937.61456	6056.55646	5380.168771	6684.377679	5909.272842	6809.814352	5723.37918	6880.42553
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4.80_450.7075m/z	450.707538	4.799383333	pos													1505.25171	1691.99149	1538.010663	704.8369556	1266.25812	811.1188441	1461.029403	446.8614242	334.0163946	2614.422718	1496.334661	179.3683781	2406.860773	1999.411435	1178.166101	1407.022829	1171.126202	1284.333538	2573.105754
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4.80_927.9383m/z	927.9383164	4.799383333	pos													2667.816011	2539.131541	1818.080039	1608.888332	1675.447382	4016.025451	3409.632225	730.4070257	576.5422457	3525.811467	1416.845231	522.808657	3110.435002	3787.125564	1550.28854	494.9784888	1217.205055	1757.916312	4932.740009
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4.81_925.9251m/z	925.9251301	4.814416667	neg													6224.976764	4482.859553	4640.466342	2758.497774	3516.732946	4851.943408	8852.799972	1761.406038	1002.544864	6836.233688	4271.880975	609.3096512	5939.01394	6100.535006	3662.133877	5728.080819	4547.106686	4928.135349	7005.957682
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4.82_171.1256n	194.1149503	4.819383333	pos													21274.29523	20814.75208	20367.5659	41621.19277	26102.06889	14523.77461	17481.12926	25604.17666	26799.79228	31659.64345	22746.53714	31067.31238	13203.58405	35898.89857	48910.35269	37161.07234	28199.8188	30954.34954	17129.04722
4.82_195.1017m/z	195.1017143	4.819383333	pos													1851.0443	1745.072271	1552.861076	1609.535653	1538.861896	1653.492855	1387.17577	1639.14183	1278.646879	1786.765229	1653.873774	1593.957643	1479.588018	1613.098169	1754.729741	1449.294139	1487.647092	1630.151582	1608.400844
4.82_198.1276m/z	198.1275952	4.819383333	pos													836.8170644	967.2842423	878.6553049	557.963359	490.5985963	520.2077866	414.6612788	2340.103075	2362.389103	567.8626814	570.0206651	949.5449035	560.4081628	520.5176272	543.6577477	661.2430681	550.5066448	708.969874	543.623648
4.82_217.1905m/z	217.1905266	4.819383333	pos													3116.41611	3708.393957	2831.647899	6652.11182	3986.147475	2089.102857	2830.221825	4014.522468	3544.979593	5205.648896	3539.872018	5126.181366	3457.684772	5740.642666	6857.207284	5527.541988	4491.332786	4651.627159	2745.126412
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4.82_482.2644m/z	482.264433	4.819383333	pos													1052.891262	705.0838745	1038.210619	1438.487811	810.568206	621.0928836	792.3531009	1156.015409	512.7213182	501.8814517	1135.546579	1174.823738	1003.027538	1702.499526	1194.040972	1311.088269	1180.328217	1115.257485	1091.526508
4.82_626.6343m/z	626.6342668	4.819383333	pos													2679.331643	1656.023597	2451.674561	1525.566451	1531.976307	2595.547928	2910.912762	1688.447692	2161.674783	4172.829483	3838.374278	2189.567966	3660.650151	4104.572391	3450.986315	2958.194631	2743.288117	2432.3779	3015.33336
4.82_626.8013m/z	626.8012639	4.819383333	pos													5189.979932	5587.206098	5749.121367	7716.179031	5067.009803	5288.610471	5537.80669	3558.441095	2817.722748	7112.194805	8853.605318	3686.965691	6090.517464	8851.440569	8315.315484	8649.414655	5441.51375	5273.992044	6812.398377
4.82_626.9690m/z	626.9690088	4.819383333	pos													5724.566224	5231.517516	5386.408463	5339.913959	5161.675435	4576.718108	7625.756107	2999.998603	2729.286221	6529.15442	9770.410344	3144.829405	6256.186906	8338.505225	5499.496347	6950.01055	6363.050601	5597.611529	7656.622548
4.82_627.1357m/z	627.1356749	4.819383333	pos													3005.147273	5282.216909	4148.546663	5522.689769	3393.871318	3816.774636	5271.09398	2409.382932	2205.959641	3255.188348	5392.327513	3337.386093	6964.803096	5469.771749	6180.320808	4261.279971	4368.058981	7247.255368	6086.043892
4.82_857.9485m/z	857.9485455	4.819383333	pos													1100.423654	1549.845351	953.0759287	2046.156294	859.633483	582.5628958	624.9566943	1047.270249	460.3017944	2097.658395	2773.076786	1819.921444	906.9595338	505.384133	1452.994308	1142.806038	1880.693406	2732.438103	1819.507479
4.82_939.6965m/z	939.6965499	4.819383333	pos													1540.364331	990.7800496	1256.260498	2385.902171	102.2731537	3538.697897	967.585434	872.0784388	0.000297236	2328.85252	1948.097816	0.000297236	1801.222476	1361.031694	800.7338744	590.5253815	472.0700523	1252.448436	1871.840879
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4.83_855.9350m/z	855.9349693	4.832016667	neg													452.4345573	621.58881	549.6914614	225.1790605	640.6747719	466.4928897	553.8214565	680.4290774	269.7600598	462.6971344	643.2338449	154.0685842	389.9545728	494.95298	764.1651007	1242.742449	377.2624068	722.2863133	614.6274793
4.84_1037.9401m/z	1037.940094	4.83885	pos													3217.283706	3457.303966	2153.643795	2989.365636	2058.908992	558.1529617	1683.755629	4080.493323	1970.706666	0.000297236	5333.132022	3795.280661	4100.868595	5850.520993	6577.785953	4705.385256	4874.216856	2562.677784	1659.527523
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4.84_236.1620n	259.1512833	4.83885	pos													8081.611616	11821.99886	9972.660682	11177.43611	12342.51635	14405.03152	20028.30789	17385.20394	16904.17932	12430.62888	20741.63842	22542.04794	24821.06095	16817.36796	13542.13872	14896.64566	8885.201351	11766.98399	21004.40822
4.84_282.2270m/z	282.2270023	4.83885	pos													1966.800568	2087.699203	1878.788472	2663.760391	2398.244414	3339.209159	4358.106087	3538.905373	3256.930641	2684.461728	4437.855766	3889.698965	4942.623706	2836.586535	2616.410661	2600.104873	1832.497348	2373.999938	4848.258798
4.84_922.7272m/z	922.727186	4.83885	pos													4113.415024	4912.07017	2805.847535	3899.089635	2018.212395	2672.747784	2657.541396	4756.992963	4287.19217	2091.521691	4153.559389	8549.117427	2742.971614	3807.062141	6453.124654	4998.308673	5004.980089	3458.888019	1738.197288
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4.85_264.9342m/z	264.9341955	4.85115	neg													4632.761182	3664.019663	4163.863246	5133.066374	4671.725895	4115.457756	5420.91662	4758.404433	4952.922008	4371.935837	4923.586722	3961.747332	3497.317876	4504.481428	4350.086922	4835.400725	4689.17356	4973.427589	3393.798607
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4.85_361.0747n	360.074339	4.85115	neg													1385.003611	1187.951677	1167.728062	1553.805318	1381.730321	1597.239164	1992.682067	1225.640826	1020.956401	1317.723941	1540.22944	1141.805451	1691.844811	1561.213468	1466.524054	1320.917294	1380.745042	1477.265407	1456.334159
4.86_690.5920m/z	690.5920079	4.8594	pos													2273.608597	2151.373984	1486.314654	2029.9201	627.5422837	941.3558825	1970.984304	470.929776	1320.535849	1564.8458	1872.262053	1148.951653	1064.198862	1106.612585	1658.179774	2892.59782	2020.161848	2287.003837	3387.99229
4.86_690.7184m/z	690.718382	4.8594	pos													2190.483261	2150.702059	1363.215454	3042.408033	2029.161159	1943.866061	1991.312313	985.7854234	1113.887318	990.6722691	1329.866739	1630.70097	1139.310775	1624.180889	2053.457574	928.6635977	2393.819972	1541.273848	2159.535949
4.86_690.8435m/z	690.8434669	4.8594	pos													893.1038268	747.0780128	1242.845459	2129.789227	300.6786157	848.5933322	377.8361728	0.000297236	328.0002799	580.1670835	2097.327656	1017.714019	1664.067105	0.000297236	1887.646699	1179.892499	1319.56644	1116.623051	1498.717601
4.86_746.3833m/z	746.3832921	4.8594	pos													9734.376481	6812.862463	6589.878668	7852.768338	21693.00118	25927.02752	13505.42587	1021.557042	3693.016358	14218.36718	16107.6747	10299.66145	3203.689389	14409.9761	6540.530532	9825.951531	24849.93427	13171.49546	11655.32968
4.86_920.1197m/z	920.1197328	4.8594	pos													2137.970166	1708.190034	1499.810968	3311.645245	2095.209074	991.9278286	2239.674103	1802.963818	966.036274	1507.586218	1777.370568	1781.409413	1372.355147	2272.231657	1529.890319	3029.790239	4081.366251	2419.50313	2000.37185
4.86_920.7876m/z	920.7875559	4.8594	pos													2107.600225	1810.46243	3124.650848	1550.483518	1164.094492	1072.319435	1051.197419	617.2960188	811.0130691	2559.808934	2230.815818	643.4979261	1420.239185	3065.03386	2433.862348	2676.579865	1891.91222	3239.710753	4270.620502
4.88_254.1958m/z	254.1957818	4.878833333	pos													1741.533367	2291.735747	2188.407744	2135.47003	1931.14816	2509.808896	3191.740212	2730.265999	2414.270992	2440.231426	3139.152877	3134.404077	3481.386832	2932.887973	2212.844509	2329.654393	1827.191173	2145.263859	3279.922447
4.88_272.1311m/z	272.1311082	4.878833333	pos													1207.036295	1594.5617	1551.178884	1182.688022	2007.935797	1983.216451	1986.580469	2211.862044	2135.577977	1586.424417	2003.268448	1437.398386	2479.104302	2108.526514	1192.135006	1365.003792	1626.503757	1068.928193	1777.904992
4.88_683.7228m/z	683.7227713	4.878833333	pos													1539.07971	1782.289446	1477.874346	1495.893948	1474.636237	2986.227668	2110.580012	1254.227614	0.000297236	2847.253396	1957.264827	348.3128592	1359.102617	1969.435434	685.9461858	2581.558326	1002.816473	936.1604713	2527.197782
4.88_683.8476m/z	683.8475965	4.878833333	pos													1302.674733	2118.730163	1399.728236	1148.865232	2825.10651	1781.086376	2054.808485	1251.94836	351.4282197	1214.061835	2025.616063	744.6728703	827.681745	1006.017021	801.7042385	1486.930947	2093.997847	1639.524211	922.1731897
4.88_922.6151m/z	922.6150563	4.878833333	pos													4821.115518	4745.919678	4966.184479	3493.521054	1930.909918	2941.160427	4039.855499	4500.671143	4458.553949	2292.278236	3774.6578	6061.295495	7040.933002	6384.872534	7885.172606	8914.026517	7652.382815	6116.77925	2672.05894
4.88_933.9577n	934.9649579	4.878833333	pos													3785.716591	2649.683513	3147.983079	2803.595024	3469.785049	6539.792559	6114.245882	3914.047837	4182.461781	6545.697295	7732.68548	3681.112505	1966.644124	2140.381007	4947.180815	3626.588645	3574.897367	5243.712645	2710.78765
4.89_512.0347m/z	512.034679	4.890966667	neg													978.8307283	1141.348633	1121.670628	534.3752369	2006.779071	677.2968361	559.8120895	1649.492152	1716.495482	739.2626615	1191.369006	888.4870301	1025.851951	1659.951372	1213.349687	1186.273693	1416.595874	1080.424365	1279.960832
4.89_949.9538m/z	949.9537801	4.890966667	neg													593.8438143	516.2262927	458.6959229	0.000297236	378.5121637	792.1784283	795.8495952	666.7585107	644.1579607	1333.401106	1127.87502	0.000297236	267.9939059	338.2334516	274.8633623	551.7943652	0.000297236	411.4584178	224.1827022
4.91_127.0750m/z	127.0749886	4.91215	neg													1624.124674	1292.857983	1299.077744	2022.878486	1858.204504	1468.554169	2269.982077	2524.548938	2276.97581	2181.422299	2219.215476	2423.376302	2418.374331	2489.084478	2629.008158	2465.991438	1621.874854	2104.073504	2365.986538
4.91_171.0651m/z	171.0651111	4.91215	neg													31318.3626	26143.33169	28288.60118	38334.35114	35022.29085	29179.01546	42865.50021	55809.31423	42148.61397	40138.62203	39064.37395	44032.8379	42893.95444	45161.1825	47380.42831	44130.71097	31796.71967	37332.29205	43082.8582
4.91_172.0967m/z	172.0967371	4.91215	neg													29349.50499	26995.65004	28250.47765	16004.28317	43413.71056	18535.98863	20009.19757	40256.62458	37887.05739	19209.76009	29057.87615	21576.88159	28464.58625	35425.17714	33806.20234	27739.34506	34536.48407	24211.89729	33008.5276
4.91_175.0964m/z	175.0964216	4.91215	neg													424.7473978	429.9155069	508.2595221	321.3312303	397.6764271	633.9794882	373.5704712	862.3599109	655.3528735	520.7550401	369.1047834	497.9490465	304.5591951	307.5998284	405.4532344	315.8458784	380.0535848	375.1785284	265.3773491
4.91_202.0898m/z	202.089799	4.91215	neg													2412.121802	2653.083799	2732.853858	1532.172455	4053.16199	2456.943466	3260.826199	1207.890154	1706.477804	2718.881631	2027.070565	1265.716356	2709.233892	2248.933879	1991.939524	2226.748327	2101.722661	1723.884882	2031.949804
4.91_230.0560m/z	230.0559744	4.91215	neg													714.9249498	602.7448462	708.4197013	336.4721713	1123.100937	419.0303476	492.1611064	1099.656626	1030.910602	435.681316	691.8123582	542.0751943	707.7271129	974.4716808	851.006422	687.8397207	844.2060376	611.4997426	756.8733006
4.91_239.0533m/z	239.0533354	4.91215	neg													7670.429443	6278.913339	6587.105878	9875.296698	8902.340818	7192.815859	11151.9825	11896.06807	10725.17314	10582.58135	10987.88867	11870.82577	11408.82546	12483.49535	12978.81753	12508.17644	8101.366474	10329.45342	12232.58461
4.91_240.0849m/z	240.0848762	4.91215	neg													13557.72519	12644.88472	13049.54168	7765.809271	19149.47428	8531.332491	9546.870551	18177.28707	18000.28255	9093.687629	13401.11513	11146.52351	13401.83349	15179.91997	14807.07294	12308.58743	15505.03998	11690.58162	14266.89145
4.91_308.0727m/z	308.0726879	4.91215	neg													5144.749141	5010.563011	4938.473345	2867.671832	8143.93429	3171.433831	3274.891036	7374.095292	7299.018131	3460.044408	5193.790313	4155.631329	5376.948868	6473.675579	6124.871214	5067.502981	6058.853174	4525.338669	6335.349318
4.91_318.0278m/z	318.0278392	4.91215	neg													546.5894648	584.6370257	465.0053024	326.1787252	932.5194485	346.7337437	395.3690304	755.9140217	756.9473219	408.035704	753.1996581	451.5990763	533.1728381	811.7170195	614.2372891	659.3961976	679.310896	445.7062445	673.9510969
4.91_338.0656m/z	338.0656188	4.91215	neg													582.6418645	860.0417863	543.881218	331.2659857	1063.650249	791.3502538	803.5798883	210.6778191	470.1889514	646.0755272	409.8931166	230.2530141	763.8243888	476.6257536	502.8055736	447.4727907	404.9737328	334.127858	563.4289573
4.91_343.9401m/z	343.9400566	4.91215	neg													637.941777	373.7136452	440.3443298	430.9947365	482.6892976	404.4382938	558.4004465	981.1756374	979.5132494	570.0594355	481.5038437	647.4165774	428.3078563	552.1658968	463.8408053	500.164951	511.2472989	502.1698047	481.4785593
4.91_346.0129m/z	346.0129268	4.91215	neg													269.3128432	194.8807547	287.0994715	394.2461367	355.666526	270.7765008	430.9777786	349.748698	358.5081433	548.1625861	491.4863639	595.9876784	497.7833616	483.8893793	797.3997944	664.0289476	349.8468472	416.1855705	506.8734235
4.91_376.0600m/z	376.0600407	4.91215	neg													3246.749722	3189.876615	3235.187728	1745.237093	5418.938956	2008.812602	1992.973112	4808.149343	4632.759586	2144.103926	3304.421367	2554.160179	3090.894377	3997.921531	3981.397882	3137.97957	3655.155616	2779.04348	3620.917236
4.91_688.7739m/z	688.7738537	4.91215	neg													1695.681859	2068.078547	2364.930705	1763.310715	2436.52999	3013.021546	2263.48343	0.000297236	137.665953	3418.504893	2347.146489	197.536862	2274.735093	2267.278011	2508.039545	1993.622178	3301.709058	1984.353894	4712.755473
4.92_204.1050m/z	204.1050469	4.92085	pos													17029.31643	16863.61523	16081.61934	10769.97947	29763.8839	18305.32974	24150.48206	9333.697102	12871.73133	21017.30903	12503.70099	9100.392416	20413.22445	17795.996	16403.51279	17296.93956	15710.85068	12349.86555	12857.75357
4.92_287.2210m/z	287.2210318	4.92085	pos													6820.565146	6622.743701	7265.91551	5977.146521	6528.488952	7216.636301	7037.928651	6120.129588	6709.355987	6925.858696	7101.388097	5934.57606	6734.048282	7045.234645	6768.953448	7230.205323	7656.863906	8139.005044	6096.793319
4.92_413.6519m/z	413.6519117	4.92085	pos													3782.316995	4246.30187	4497.503215	4613.376198	4174.702274	3753.473584	3613.027138	7060.386505	5745.043264	2355.284294	3901.911937	4366.026814	3679.869539	4232.034055	3823.098653	4597.742506	4205.466228	5020.679946	3696.542045
4.92_573.2868m/z	573.2868086	4.92085	pos													421.4319086	630.5149404	676.429451	1028.958332	422.053006	753.6000753	716.371053	278.701258	288.4805419	523.5598723	687.8241892	387.9811373	805.741165	1045.613986	1225.740869	927.9212571	1161.556283	262.5995383	265.7970101
4.92_690.2858m/z	690.2857571	4.92085	pos													2459.094557	1457.33895	2541.666336	1590.201211	2834.103078	4411.869058	2342.640423	0.000297236	0.000297236	3506.646311	2380.827313	0.000297236	1805.327699	3188.162665	2247.202196	2732.619777	2333.158189	2408.944173	6314.058883
4.92_724.6855m/z	724.6854726	4.92085	pos													3152.206055	2642.73953	2764.622851	1588.278288	2500.253004	830.0938622	1990.143952	1065.790394	1287.509423	1221.961393	2071.337442	956.2979346	3509.086168	1424.701255	2621.067608	5492.354849	2824.197848	2476.921729	1646.996966
4.92_724.8524m/z	724.8523585	4.92085	pos													3616.920397	2590.028952	2863.917465	3100.918332	4561.6981	368.2448895	3067.253903	597.1623976	789.3758115	2211.39497	4322.60957	1175.872393	3521.826915	5201.774414	3804.910693	5884.674124	2710.563332	2941.874916	2789.723418
4.92_725.0187m/z	725.0186924	4.92085	pos													1733.975048	1657.654964	2285.953796	2080.604202	3445.707828	1344.33762	1975.53629	0.000297236	1209.570319	2280.884568	2611.266584	1016.544521	1036.062905	2847.921973	3738.683273	4003.804126	1077.438078	2992.498452	3292.824034
4.92_725.3531m/z	725.3530844	4.92085	pos													569.0575961	591.1994702	622.1481705	0.000297236	912.3680122	0.000297236	980.1668961	379.5963512	494.3175277	1067.759343	589.5787717	497.5202243	2049.059377	932.3696524	74.82196898	702.2719996	662.5033236	680.5597165	1288.95745
4.93_119.0519m/z	119.0518976	4.9336	neg													96.33073473	56.60247075	102.6981888	80.74358538	68.90751069	42.04607462	74.42492924	14.18240289	34.14406603	85.6894217	66.75515233	112.1754467	87.94377866	125.5558003	67.61065459	55.61791484	66.18883451	45.18373214	103.5434738
4.93_158.8918m/z	158.8918458	4.9336	neg													1257.212603	868.8739586	964.2356626	1160.032898	1075.568047	948.4540094	1337.977254	1082.85846	1076.872029	1153.752337	1224.316482	990.9248833	1014.979469	1154.810151	995.3058302	1205.838798	1110.212118	1166.072083	978.6915613
4.93_171.0262m/z	171.0262435	4.9336	neg													127.7840111	145.4032889	126.1563407	142.7739287	297.4680648	98.85796187	98.97794219	488.5405223	562.1780955	209.2367856	122.0256673	152.2677497	168.2407443	212.6439802	225.6717714	72.08531813	190.3511619	94.94632883	178.8399446
4.93_182.0931n	181.0858273	4.9336	neg													2436.42534	2550.475366	2552.924661	2745.834247	2417.490739	2269.732171	2722.486468	937.402513	1388.838212	2680.97429	3045.366399	2145.834788	3655.676263	3671.600411	2162.354091	1711.122579	2084.881304	2645.275976	2496.099895
4.93_256.0436m/z	256.0436158	4.9336	neg													462.1949374	399.3440131	414.8778534	754.1610707	621.8793993	392.6920284	858.8069916	706.0308203	664.7879638	734.3218843	777.0314492	806.6394668	904.0771904	993.4790987	974.5682563	757.41575	558.368939	787.8444768	871.3916885
4.93_262.0427n	261.0353996	4.9336	neg													4761.339342	3852.189075	4160.334318	6434.80951	5613.719376	4589.390796	7453.523938	7632.210606	6874.416167	7113.879289	7263.973857	8246.986415	7333.7105	7595.200239	8288.972659	7427.931144	5085.309004	6512.89688	7737.576924
4.93_321.0702m/z	321.0702297	4.9336	neg													766.637367	718.9042087	910.5230446	982.7063147	578.7598545	1284.296309	681.829775	770.6494717	496.7663336	669.1935169	495.9855218	1043.928639	847.1553383	749.1021588	1140.0597	475.4424791	884.7262657	994.6827862	1901.46324
4.93_329.0229m/z	329.0229069	4.9336	neg													3319.41742	2480.020428	2748.513728	4133.331185	3497.34525	3015.320962	4742.078758	4620.149959	4296.367735	4346.246372	4652.20045	4792.670789	4602.036068	5387.256228	5360.056457	4812.456784	3258.511692	4243.755676	4982.594133
4.93_372.0675m/z	372.0675117	4.9336	neg													3781.554199	4022.971683	4214.219739	4540.360725	3207.959966	5679.076542	3186.453657	4215.982019	3161.312409	3186.775261	3209.654738	4729.200747	3970.98687	3516.500554	4545.517888	2780.633271	4438.225562	4293.540701	7496.953626
4.93_397.0104m/z	397.0103793	4.9336	neg													1657.225349	1204.179744	1293.37455	2104.472558	1718.204352	1428.444676	2607.856522	2493.340814	2444.818838	2368.675853	2869.57556	2655.353899	2311.475019	2774.877513	2850.759045	2587.706948	1757.675431	2032.256358	2306.193393
4.93_440.0550m/z	440.054964	4.9336	neg													1937.462639	2229.494908	2285.754355	2390.991598	1570.718236	2849.781993	2000.845948	2116.699164	1527.459047	1952.855793	1578.397094	2577.312473	2118.883	2006.685098	2679.362605	1379.595275	2764.390428	2480.604717	4010.162704
4.93_508.0422m/z	508.0422466	4.9336	neg													1117.972135	1182.032278	1479.963851	1144.348484	790.6188014	1475.162088	1221.850869	815.4879307	927.3938705	1034.322116	910.0251812	1214.771111	1157.091525	977.6626024	1329.8984	769.861673	1363.337027	1142.749274	1960.379394
4.93_572.2541m/z	572.2540563	4.9336	neg													494.7824374	500.5037381	725.9983389	320.0947318	878.077552	812.3783557	1306.096694	553.3450884	340.8448568	1206.64305	668.3761097	0.000297236	753.7442946	348.968753	407.5416399	218.2067748	711.381299	0.000297236	520.2723614
4.93_572.7556m/z	572.7556115	4.9336	neg													207.4767139	195.5151283	278.8323603	0.000297236	223.4129034	395.2739011	823.068956	125.2100953	0.000297236	516.3179122	0.000297236	0.000297236	428.3638579	117.8579419	255.7046069	106.1571637	175.9669002	0.000297236	168.2969327
4.93_688.2726m/z	688.2725927	4.9336	neg													3857.884307	4395.058539	3917.831247	2842.321132	4499.82868	5186.664974	4948.97573	821.0376348	0.000297236	5318.913886	4772.526365	663.6731926	4034.831016	4681.210964	3596.643111	3486.945402	4641.298862	3914.551963	8073.365507
4.94_167.0301m/z	167.030107	4.9422	pos													616.9871177	540.0994764	626.9230339	661.5299846	453.3761841	801.6836885	466.9691381	479.8428422	281.0715016	575.7997704	421.1016256	663.2034276	675.2449287	614.1999489	805.2707779	510.3704713	697.0192499	803.956259	1191.312173
4.94_187.5432m/z	187.5431574	4.9422	pos													402.7889426	540.3204694	726.966356	730.2476842	437.0518751	824.0339766	499.3959903	630.1318083	482.711296	568.7608233	373.0232024	694.4131924	585.4823863	613.5993509	786.6031437	502.9842464	730.4260319	722.51913	1147.860384
4.94_194.0810m/z	194.0809983	4.9422	pos													814.6753702	894.2169012	766.7686839	878.7897559	735.8808449	848.97638	1119.290626	1239.63763	816.5886279	776.818162	1004.151774	757.8743633	710.9333741	637.3445505	1019.829416	805.0186779	1287.107301	1217.372738	649.9688094
4.95_192.0655m/z	192.0655247	4.954616667	neg													615.9989332	607.7627312	617.6882963	835.8511038	414.5400402	386.8267739	907.5492503	1182.683716	510.1825682	496.7104128	804.1931281	512.2746503	312.1303983	255.4329244	700.6568588	363.0042805	1233.943008	1007.719586	351.6993903
4.95_422.1756m/z	422.1755521	4.954616667	neg													530.8606975	649.4907332	579.235158	780.8362768	383.4601813	495.2124376	783.3806107	0.000297236	0.000297236	526.0613838	430.890338	61.31046746	772.3764327	1307.324232	1687.791023	650.2433769	969.498424	1295.542366	618.5818356
4.96_995.2727m/z	995.2727138	4.9623	pos													6520.179243	9270.621473	5493.492188	7526.570276	9778.344629	10886.7986	5689.914968	6208.109533	5090.247072	12680.11034	9476.518195	9309.841997	3584.940357	4104.034041	7283.999216	10856.11231	8865.041332	9550.714157	5141.57209
4.98_119.0137m/z	119.0136759	4.982933333	pos													592.2981689	587.6297932	645.4120674	560.4062657	534.4057525	584.3867499	548.3049317	586.9943587	627.7481142	696.1449746	595.7719829	494.9560667	592.6786975	643.7764889	758.2801825	633.3616394	601.2547992	602.2516638	551.1071267
4.98_248.1310m/z	248.1310148	4.982933333	pos													7310.662187	6222.038708	6754.371542	3543.732764	11212.38724	6186.504544	8837.865125	2287.835799	2931.276171	8121.097002	5463.567852	3011.672589	6164.432132	6056.916453	7203.198626	7357.064246	6567.562317	3884.460738	4412.649425
4.98_272.0540m/z	272.0540054	4.976133333	neg													1376.940373	1500.387156	1433.958789	519.1715699	2682.31828	1634.807556	2214.945004	131.4494138	897.895369	3834.649314	1247.617251	788.8558969	2171.254094	1774.063179	1367.85703	1071.378664	1120.714202	632.145197	1005.991271
4.98_284.0960m/z	284.0959934	4.976133333	neg													438.6150211	352.7171243	389.8115311	300.3248673	473.6686664	251.2867879	427.5566551	262.6375174	355.8130755	260.6432799	309.2883165	382.9370691	237.4346739	298.9586737	404.46487	147.4417292	157.8851214	325.1061315	304.9598277
4.98_381.7261m/z	381.7260507	4.982933333	pos													1033.435479	1521.794335	1530.349546	1180.070897	975.3021199	1106.373061	1244.913102	991.2091729	1143.087146	820.0260753	1424.001322	1268.084265	1478.998463	1097.472253	1009.093261	1013.495885	1392.346008	1038.841956	1177.08886
4.98_408.0285m/z	408.0285426	4.976133333	neg													370.0712409	249.4972053	368.6771942	100.6187979	489.6017877	214.6267803	778.3625507	0.000297236	252.0849576	942.545864	354.9817826	205.2268202	343.7797787	450.9510194	337.5344997	259.0980918	260.795478	210.4485884	188.8112904
4.98_697.2638m/z	697.2638041	4.976133333	neg													1167.109192	1094.052071	908.2398041	563.9713505	886.7879441	820.9412848	345.6463409	441.8653589	177.6657054	498.0662019	610.3766922	1203.661463	867.6068422	684.2000525	741.3905195	818.0916125	1221.870476	716.9294635	606.2616095
5.00_120.0109m/z	120.010895	4.996833333	neg													204.4580915	280.3936979	277.2410994	173.2155611	359.6198631	189.8218356	246.6845435	86.70697496	77.86490631	242.8972991	201.2217356	125.5188933	203.5957549	162.0817308	227.2867663	240.0222065	192.9313338	172.6533058	190.3234324
5.00_246.1167m/z	246.116696	4.996833333	neg													162.6961247	279.2102186	208.3908424	73.61178334	464.5107426	241.0784092	362.9743926	48.07177619	75.56831631	301.8647754	152.1600835	86.69172781	178.8098846	189.8642425	246.982772	279.7318968	238.8748573	156.3529341	191.6912856
5.00_329.9614m/z	329.9613573	4.996833333	neg													160.0694468	121.4868645	95.02798462	0.000297236	81.43144654	89.72278427	44.22232073	1232.08745	1044.10474	0.000297236	0.000297236	639.6432644	55.58480483	0.000297236	45.36865416	127.5038573	51.47497233	52.18116811	85.21449483
5.00_368.2404n	391.2296165	5.003183333	pos													2592.434714	1681.895149	2454.525047	0.000297236	4474.103058	862.6441829	4807.27108	5202.545753	0.000297236	721.9665384	0.000297236	1255.659642	752.7320683	662.4807194	136.9333808	1950.658164	0.000297236	1307.283131	36889.3515
5.00_577.0041m/z	577.0041491	5.003183333	pos													540.1031655	838.2985364	1007.838638	1010.718622	895.2572207	709.4970944	1115.289745	503.5217547	798.9199885	369.0869795	1316.069393	340.3148163	514.452417	767.116226	300.4159701	447.8932135	324.9236677	438.4975252	1128.107043
5.02_145.0857m/z	145.0856629	5.017966667	neg													4319.353701	3685.747431	4089.821553	4353.683039	4054.877413	3861.035628	4257.644736	4110.6238	4317.339832	4004.991556	4543.597583	3900.743977	4173.550995	4351.664097	4281.606228	4473.396911	4156.86026	4244.001049	3954.553942
5.02_159.1014m/z	159.1013791	5.017966667	neg													12041.00048	11262.28613	11735.53569	12436.23147	12003.66765	11389.79218	12015.01332	11243.4168	11784.86421	11628.216	13165.10966	11462.97347	12097.81486	11893.84385	12112.59023	12903.91204	11856.56788	12487.29445	11915.90645
5.02_201.1481m/z	201.1481266	5.02275	pos													1008.218242	969.0145745	1083.449672	1277.129186	1166.181176	1068.278831	1182.502506	1050.898459	1147.265467	1310.034225	1094.260645	960.22722	1093.578078	1346.384168	1347.046746	1231.672824	1003.652682	1177.927688	965.7111833
5.02_239.0897m/z	239.0896669	5.017966667	neg													516.6207407	751.9610294	737.5246449	506.108612	452.0111249	348.8473453	711.6151452	512.4893655	847.2240022	302.1173099	610.9375733	877.5613338	663.8907365	588.1426972	412.956783	316.4418124	336.2468915	627.3978709	677.4210407
5.02_363.2248m/z	363.2248028	5.02275	pos													320.2129938	511.1131885	409.8862991	2143.8663	874.2337765	126.792168	389.8857063	1819.326356	409.826287	2504.494264	516.8843589	997.8765635	173.1800368	1434.08966	6884.597012	3696.211392	600.2598439	1048.799322	319.6004459
5.02_401.0440m/z	401.0439525	5.017966667	neg													468.2406114	392.820803	255.5775528	559.2525375	233.5720197	565.4856146	581.9331694	0.000297236	120.455148	476.046688	541.0352182	303.4319266	296.8944914	187.307262	551.7960134	406.9263504	555.920425	600.2313826	192.3920779
5.02_735.5967m/z	735.5966536	5.02275	pos													3605.761533	2838.594466	2675.650022	2433.315265	4552.238507	540.1244728	3552.414973	1037.495054	1566.493784	4411.066257	3184.923806	2730.406873	3248.266284	2276.655243	3647.808339	3453.893077	3250.859242	3583.94656	2909.596246
5.02_736.0979m/z	736.0978794	5.02275	pos													793.749656	1020.198129	1307.74988	1581.542607	1981.296764	484.9146117	338.9777974	1133.745671	863.8505872	3462.369328	4036.439022	1229.228604	0.000297236	1359.246668	1620.927667	2018.277431	1977.909983	1595.984223	1034.753013
5.04_202.9508m/z	202.9507771	5.0424	pos													3993.685747	4050.731479	4188.266297	4204.7776	3593.365407	3836.281677	3825.288399	3717.313634	3969.952262	3589.595733	3738.623513	3404.757122	4079.599951	4009.401994	4341.188268	4665.25288	4828.479441	4117.478784	3564.212297
5.04_232.9862m/z	232.9861624	5.038466667	neg													1555.931767	1631.995768	1701.699623	1655.206325	1772.983071	1364.977787	1510.866737	1644.208139	1724.732264	1746.747929	1771.592436	1579.250668	1623.113559	1561.099062	1651.370371	1606.199375	1487.514556	1660.862329	1854.973224
5.04_281.1953m/z	281.195346	5.0424	pos													1143.43363	1359.304453	1360.454316	659.1939688	1631.445593	931.1273261	1762.721798	1987.086279	1580.689598	741.9090971	1306.324926	1196.743613	1044.949794	1413.352616	786.8330934	1566.419692	1401.67904	869.5532113	2180.205669
5.04_292.9571m/z	292.9570773	5.038466667	neg													155.2246251	123.4912026	220.2596882	45.06598682	30.88554651	64.9266441	59.85452982	1369.506135	1450.656452	49.82279269	58.20058374	871.8004502	65.32242355	28.76828144	46.45909904	44.63959766	0.000297236	56.82500079	79.97300868
5.04_465.3041m/z	465.3041472	5.038466667	neg													28005.04633	30087.33143	24257.3623	26235.0302	30402.73807	28127.17039	33582.47451	35611.05443	26368.9072	29116.94384	37729.75667	23908.80555	25265.58014	27541.16055	31897.39317	34911.91309	31001.99111	28942.20815	31031.17261
5.04_818.7682m/z	818.7682065	5.0424	pos													3965.344422	2630.41906	3608.357072	4051.828637	2229.19115	2012.580268	2464.601028	5350.153848	2924.366721	2434.313511	3055.173213	3296.772006	5262.789839	3026.635089	2134.919712	1167.753497	1438.085999	745.3148256	1911.887562
5.04_818.9358m/z	818.9358244	5.0424	pos													3133.298745	3734.543239	2700.790603	2742.155583	702.9430113	2710.262302	2565.058363	5887.355421	4327.334034	2468.124093	3537.393715	4479.765595	4624.828151	3707.758694	1813.56734	2990.40803	3252.79955	1157.528245	4523.240497
5.04_819.1024m/z	819.1023849	5.0424	pos													2210.576629	3644.961013	4086.129229	2829.432838	2276.005527	5435.754748	1655.690657	9144.382881	4621.175675	3276.406936	2961.641255	6076.993024	5424.48521	3464.097467	965.7882651	1937.577814	1795.498696	1750.800978	4307.564659
5.06_198.9972m/z	198.9972319	5.0602	neg													651.7293781	619.7603046	642.0030049	94.32686325	451.8570209	1764.734709	0.000297236	2362.994069	2715.949791	2509.317788	1.807257529	1203.771912	132.4938543	0.000297236	0.000297236	5.748197559	0.000297236	0.000297236	76.70900764
5.06_218.1213m/z	218.1213072	5.0602	neg													1013.560345	1033.595181	667.584734	839.0990167	1015.66022	553.3558697	1072.33163	2338.019344	1418.777235	565.8989529	963.633426	885.0612422	814.7134608	1083.109347	1114.196256	579.9490015	759.3825615	540.5061343	935.5948167
5.06_250.1775n	273.1667445	5.061983333	pos													17444.70683	23042.67545	18737.00404	18675.68087	16554.61933	14546.99108	24805.9142	25247.38287	22469.19593	18877.343	20796.05002	26375.06745	20976.28224	23077.19635	26338.49791	25145.34502	17438.26949	19274.08554	22375.48757
5.06_269.0052m/z	269.0052183	5.0602	neg													658.7983439	587.8560343	423.932806	478.1399626	590.0578654	653.7584078	525.9175762	584.479011	570.0106243	451.9349908	581.6841086	742.1001873	552.6199604	482.3351363	427.4362955	571.4463187	534.5844867	463.4098021	744.7872338
5.08_130.5215m/z	130.5215036	5.0822	pos													3208.773718	3199.65577	3187.189669	3382.357013	3106.353626	2924.491487	3027.365675	2966.320482	2996.045463	2970.397511	3100.509735	3315.816147	2991.338265	3256.733018	3311.558553	3615.082835	3608.143692	3408.840331	2782.633068
5.08_141.0907m/z	141.0907168	5.081633333	neg													132.7878856	138.4058804	143.6779284	114.0399356	188.3101225	83.24721108	118.4107401	414.1422025	217.5136787	87.36670583	90.95835123	182.4288706	142.0384577	109.6801599	98.60442555	107.4724235	103.295019	96.14695617	141.9155835
5.08_185.0808m/z	185.0808042	5.081633333	neg													2581.482274	2363.855094	2496.066706	2625.09483	2925.881075	2143.899351	2508.326863	3692.486336	2556.398459	2242.975839	2276.046994	2709.385953	2656.103985	2615.965689	2521.270318	2613.117849	2504.972201	2553.94646	2734.376573
5.08_208.1304m/z	208.1304288	5.0822	pos													1013.058343	1242.198255	905.6218719	708.6437349	1001.451811	334.9031354	908.5517511	956.2476768	679.372493	893.3379659	664.829705	655.5263327	507.2954374	1058.118566	1505.045418	1093.326971	702.2528592	671.0336241	819.8999264
5.08_418.1654m/z	418.165367	5.081633333	neg													249.7175177	304.1718795	258.1559715	0.000297236	144.9038417	97.54112272	166.4131102	2324.63231	1123.797321	72.63670425	0.000297236	430.3224508	54.90730779	0.000297236	0.000297236	0.000297236	99.09948377	0.000297236	0.000297236
5.08_514.2843m/z	514.2842994	5.081633333	neg													2016.539224	1756.332443	1775.286217	1264.642413	2887.240179	3190.113997	632.4019875	0.000297236	790.0793465	3888.598845	1279.290937	555.7368302	2343.486927	1738.36772	5033.293821	1307.586564	2178.525191	2861.291361	1090.911018
5.10_216.1233m/z	216.1233307	5.103283333	neg													1404.605111	1347.087172	1629.800901	850.9627779	2251.767079	1527.486355	821.35509	1469.225123	2190.492734	1248.885228	1513.427257	916.4054304	1166.093271	1493.102432	1780.794405	1940.325172	1994.674337	1006.316728	1851.379357
5.10_246.9445m/z	246.9445062	5.103283333	neg													1868.35579	2132.227138	2160.509541	2639.097601	2584.708605	2462.768863	2417.350892	1771.91299	1773.512847	2675.929135	2576.304955	1859.872093	2366.333191	2388.169203	2108.752784	2221.299047	2021.113118	2545.545726	2321.207232
5.10_269.9543n	268.9470442	5.103283333	neg													2080.426135	2053.609448	2219.694532	34.8200431	80.80269675	117.2627483	44.18157868	10853.81982	13713.96467	53.29209431	16.10018199	7416.309194	19.57815021	10.08308014	89.88801152	53.0908178	26.85927551	86.42407562	13.94266374
5.10_296.6167m/z	296.6167046	5.103283333	neg													465.7082915	433.9148488	460.8241673	168.3062912	217.5422569	0.000297236	38.80003331	0.000297236	37.62038402	748.4163095	102.0100892	61.96297512	81.86455778	53.91941278	4233.181595	82.00486184	406.187906	1747.826178	136.8821149
5.10_353.6483m/z	353.6482914	5.10295	pos													957.5121217	836.4103111	841.6307992	922.7028415	985.0513872	871.298005	642.2304662	1373.067185	1301.952559	378.0574363	738.3875052	631.4686421	888.6081526	972.2659672	620.9511422	865.4332972	998.8232729	830.067187	1085.069865
5.10_381.1064m/z	381.1063518	5.103283333	neg													670.8187371	859.7673397	776.062008	455.2841963	2193.333851	973.8926008	771.458793	536.7149608	610.8874659	1060.313777	390.8568655	847.8962786	370.5761859	289.8034358	738.5383693	1068.465011	496.1719426	683.5415165	831.8272119
5.10_414.6597m/z	414.6597349	5.10295	pos													3573.255999	4596.293073	3691.610443	4268.737592	4232.347845	4461.23707	3804.174957	7109.208138	4587.924367	2492.883017	4756.90978	2885.081644	4364.15538	4865.119205	3681.184027	4004.634508	4176.494235	3589.295457	4360.188625
5.10_415.2159m/z	415.2159254	5.103283333	neg													757.5772981	618.0555347	612.5919189	150.307276	330.8011578	379.4625195	55.73364098	3336.635739	2854.340188	366.1326229	336.0823425	1881.009528	333.171176	208.676377	241.5919324	0.000297236	133.840681	112.2893363	169.6993907
5.10_530.2793m/z	530.2792615	5.103283333	neg													26945.97131	31453.91608	28757.49681	13164.89097	44151.92352	36595.40986	37471.63831	49478.68387	95124.64702	17439.06066	34388.2193	100167.8249	14269.55571	13848.82756	19825.11918	12040.02054	13511.44405	15985.32484	12611.42042
5.10_666.2545m/z	666.2545447	5.103283333	neg													1303.461506	1178.49869	1302.873802	479.1189028	1997.467754	1632.523042	1334.649901	1670.187641	4616.470952	586.5868982	1313.623134	5183.563413	135.8616106	586.7157564	540.0948579	274.7316376	371.6520484	449.4128603	445.4243608
5.10_676.3370m/z	676.336999	5.103283333	neg													4314.736536	4508.738481	4426.271885	8037.749347	2733.602173	3308.449187	2698.756215	196.0586039	173.2129676	8068.730476	3065.439897	113.5569688	4157.127747	9444.420308	8195.56009	8356.531256	5627.226592	10853.09427	5518.653304
5.10_706.2892m/z	706.2892133	5.10295	pos													2585.852322	3015.803855	2321.744196	3136.847463	4542.388084	2277.550861	3344.238893	5159.381412	3429.485635	1683.667447	4142.38146	1964.22765	3117.982846	3314.439642	1519.883002	2727.732106	2277.948084	1723.981098	2961.322804
5.12_173.0807m/z	173.080726	5.1249	neg													5076.96671	5013.250533	5019.5634	5747.536126	5986.814716	5121.033242	5821.376913	5265.360393	5141.936063	5792.177654	6038.608053	5600.736831	5858.456907	5793.923529	6051.165168	6465.213847	5137.985216	5934.132897	6273.209062
5.12_241.0688m/z	241.0688222	5.1249	neg													288.5787292	286.3118982	276.8985138	402.6650058	442.7548853	366.097326	392.4288964	531.1680062	479.9269895	494.0968037	533.1649492	437.2435036	536.7275948	493.6322145	646.9401966	751.5812334	387.5128139	502.0321667	515.7974316
5.12_270.9612m/z	270.9611971	5.123166667	pos													2264.402693	2435.437484	2123.883559	63.15554142	53.99278787	63.86111361	53.58633345	13133.53162	17734.89818	53.25083929	27.41208357	9239.500114	75.13001078	65.94568275	73.18602187	56.92789857	59.23061346	65.68796826	57.58025631
5.12_326.2161m/z	326.2161467	5.123166667	pos													521.7185741	710.4095582	408.2064637	169.3550904	1199.897205	747.8459217	1114.363591	1455.106203	407.5532116	88.2822791	604.2777412	613.092352	0.000297236	715.7473477	182.7516377	950.3711301	456.3120022	157.6364767	1560.286277
5.12_486.2309m/z	486.2308518	5.123166667	pos													1599.146599	1819.022202	1276.974727	833.071492	2536.179269	1096.365353	2273.029811	1581.535347	989.7070645	2143.035257	1194.390705	1751.3706	3419.266306	2414.966913	3869.523336	1263.6521	1400.769808	840.8933045	1261.729378
5.12_486.4816m/z	486.4816492	5.123166667	pos													2096.005522	1976.377897	1173.890535	1029.658693	2110.934662	1628.387881	1866.471273	1299.063686	1351.284261	2054.724822	822.0021526	1801.72228	2128.34679	1375.14698	3244.120379	1336.457653	1529.51474	1219.380039	1321.98486
5.12_486.7320m/z	486.7319615	5.123166667	pos													1031.19321	598.4696888	883.8889389	253.1768485	835.7400756	966.0835908	833.447909	1381.108014	401.3759267	1042.601166	240.0822846	1066.154312	2490.39488	802.398364	2006.481017	835.8178684	980.6248908	837.912496	547.1412935
5.12_589.7835m/z	589.7834747	5.1249	neg													1098.60604	792.5024158	736.055727	1140.410535	1163.772787	692.0104689	891.9937217	738.880652	603.6288151	1110.770669	1395.717941	409.9764572	771.2512773	852.138989	743.072551	1169.961145	820.8750679	1306.558746	963.7633519
5.12_592.2986m/z	592.2985776	5.123166667	pos													663.5541783	727.0733617	983.6800337	1638.244243	1131.719656	755.7705711	1064.696508	664.3998171	483.4301191	781.8185014	1540.137857	277.9616734	511.9502785	872.5680223	1020.208515	1088.097571	844.6838163	739.9387638	1081.663168
5.12_601.8010m/z	601.8010147	5.123166667	pos													1351.891159	1292.972704	1803.695228	1212.373352	2151.61095	0.000297236	905.0935984	816.5066689	1773.930664	1412.233215	1956.093958	2133.96957	1318.095716	834.2078291	1793.221077	1983.349287	850.3424496	1432.859836	710.9431877
5.12_602.3020m/z	602.3019703	5.123166667	pos													1427.987651	1710.209647	1071.198362	1091.197958	885.6765759	0.000297236	1310.848039	1003.076082	645.2496201	1646.454572	1305.855505	2974.829995	547.8152636	1684.943422	2344.845802	1045.277692	1300.74003	1542.463819	1356.920901
5.12_648.3057m/z	648.3056755	5.123166667	pos													1271.729831	1286.306598	1244.984085	672.199549	1505.440165	574.5980145	1044.255405	337.9163583	283.9946229	969.2730215	709.5876112	918.7207106	2336.596935	1120.27141	2724.829487	1122.90551	908.977963	1034.614058	784.6668685
5.14_304.8935m/z	304.8935145	5.1433	pos													3565.537572	3457.950346	3407.650635	3208.825566	3444.965299	3522.60678	3702.86127	3151.96992	3251.638351	3648.226839	4280.590784	3294.665926	3777.403085	3542.957365	3482.873594	3822.241483	3661.311218	3624.617857	3010.723405
5.15_315.1744m/z	315.174386	5.146616667	neg													713.7740382	768.1963954	574.1517339	700.3891328	497.2031218	750.6926113	755.6422149	447.7545412	820.727967	1146.677172	824.4920618	707.7062739	1053.677293	745.9430086	574.4038449	990.6748706	1019.345643	609.3269929	989.7410715
5.17_184.0968m/z	184.0968018	5.168066667	neg													676.4917892	817.8473944	729.7106676	516.6633898	1747.624532	535.8235737	696.3931503	1511.994886	1008.441145	729.3548898	610.2216799	375.5099171	496.9692003	921.934349	1242.663824	713.5883642	1136.3607	681.7626128	825.771647
5.17_385.2342m/z	385.234243	5.168066667	neg													227.301779	224.4608029	216.0000412	261.857395	417.3261437	77.27030995	410.8681297	708.2483473	110.3201298	1005.19361	383.3470428	331.4073889	177.9946499	0.000297236	170.8165668	101.1238179	214.2150777	188.0357343	366.9457121
5.17_401.8522m/z	401.8522119	5.168066667	neg													2097.166384	2282.889367	2132.530785	2796.166276	2772.893512	2715.937113	2392.268898	2148.042347	2119.017465	2734.654224	2391.77707	2144.336911	2801.979999	2477.575445	2312.48304	2526.812221	2188.545125	2784.086288	2532.073198
5.18_234.1332m/z	234.1331879	5.1828	pos													5459.658914	5517.343663	4903.975559	5440.736879	4791.949361	5993.593396	5555.35547	4832.059817	5058.271016	5275.689977	6130.392007	5721.387257	4875.196341	4805.986628	5638.873003	6117.143624	4867.530397	5251.950588	4301.119443
5.18_258.0345m/z	258.0345291	5.1828	pos													2006.096121	3681.815981	3258.912621	2753.599473	2802.294486	2349.336609	1808.326902	6187.315909	7019.42857	2028.867868	1940.502263	7905.540907	1885.768925	1709.484881	1151.81539	2775.356712	1517.148805	1596.810671	1943.781696
5.19_181.0859m/z	181.0858504	5.189216667	neg													441.5150027	752.8802434	596.3668256	712.4026868	680.6361864	779.9034705	602.2193651	204.4706963	277.8965369	672.1919169	622.9725953	433.5077669	673.359543	826.5898292	403.9546838	336.2172989	448.7737849	628.5282357	411.1240441
5.19_189.1122m/z	189.1121858	5.189216667	neg													1789.147428	2390.114961	1892.019813	1750.197554	2080.502325	1760.458254	2472.901132	1736.767645	2013.947691	2168.422916	1975.745378	1498.315533	1861.022824	1705.567275	1906.433471	1933.300611	1399.175285	1596.200966	1809.354812
5.19_204.9223m/z	204.9222975	5.189216667	neg													2218.08155	2422.101803	2301.506731	219.5159442	87.81842239	136.8548363	144.898414	15125.19097	15508.49286	83.04698523	190.6363429	8623.275157	115.9257005	139.4927353	183.6974635	225.7644002	142.286476	172.1112891	115.1122627
5.19_206.9193m/z	206.9193143	5.189216667	neg													2253.39075	2443.613908	2128.670522	68.24443134	20.719265	98.31596062	0.000297236	14974.12002	14739.78193	63.3955126	43.98830183	7907.448002	108.3749723	65.05503333	60.53495127	94.81167875	52.41037057	117.4204878	42.37558658
5.19_257.1005m/z	257.1004909	5.189216667	neg													469.4463128	738.8056224	693.8545848	464.7100401	611.0489003	552.7345776	704.0225722	490.7979414	503.7442447	700.9257685	584.9447287	434.3027647	409.5969181	405.0003166	549.4183702	542.4502701	429.418209	526.8547037	461.4690564
5.19_264.8789m/z	264.8788901	5.189216667	neg													576.9754035	655.8335311	400.7269091	750.2517449	786.8212363	589.2431967	497.4695924	1311.256953	1115.402778	527.350798	579.868365	967.9449335	596.8177288	709.90939	572.2300542	520.7588324	574.5660725	745.485745	583.2634579
5.19_274.9077m/z	274.907677	5.189216667	neg													1573.358228	1545.959262	1503.581466	66.89207916	64.09103925	163.8412398	30.74873138	8957.815909	9638.008179	39.62591419	32.62506483	5027.811653	64.58260773	0.000297236	25.4673577	169.4179706	29.79756529	28.13052882	0.000297236
5.19_276.9044m/z	276.904356	5.189216667	neg													599.0696765	636.8958796	586.2310819	310.9104164	211.2012748	261.4438004	280.9797582	3570.333452	3313.537963	248.9347278	183.4370076	1850.493708	296.7523594	146.4413294	237.0321252	239.2340177	130.8763163	299.7135178	180.527718
5.19_289.9006m/z	289.9006444	5.189216667	neg													387.9449141	525.4183343	413.1654239	0.000297236	32.48394629	0.013154336	0.000297236	2911.676389	3022.390717	0.000297236	0.031546162	1556.458053	0.000297236	0.000297236	0.012951346	0.000297236	0.000297236	0.000297236	0.000297236
5.19_291.8978m/z	291.8977611	5.189216667	neg													396.8610047	435.9510551	388.6848746	33.57826509	12.02363996	33.44607464	40.15703619	2585.801854	2699.019191	12.20094634	26.41507539	1541.653614	7.282451103	13.00725616	7.522022338	20.46638218	10.79037691	12.02789257	27.09373091
5.19_340.8980m/z	340.8979661	5.189216667	neg													660.0490934	790.5818309	752.0493984	103.6685633	8.088445421	257.6074555	48.11649472	4422.356876	4345.739883	2.458910733	77.01375434	2196.538192	71.08016877	0.000297236	26.70350496	58.31670521	24.98473242	139.9670409	140.2964724
5.19_342.8949m/z	342.8949382	5.189216667	neg													646.3463648	728.0192478	760.0658373	62.0689464	97.79357341	58.79227497	110.6361391	4103.273254	3753.468454	124.9333458	181.5064854	2215.50456	44.38349354	282.3598679	46.89650379	239.8840919	0.000297236	128.4260947	254.4176814
5.19_408.8859m/z	408.8858667	5.189216667	neg													490.6481176	748.1315589	656.2787552	276.3762059	213.4559625	175.5539971	330.6551992	2688.137083	2246.985579	63.01773409	363.7870635	1505.126512	342.7772724	280.4046571	210.8981346	258.4623809	329.3541661	220.939317	264.9227268
5.19_410.8823m/z	410.8823268	5.189216667	neg													349.737153	318.2912945	417.7989126	3.597305442	0.738398794	96.45971113	6.115105883	2718.781716	2469.78273	8.36011573	0.000297236	1349.016826	3.414165155	9.564341971	0.961119481	2.852820883	3.152388242	3.588144246	0.050017486
5.19_478.8699m/z	478.8699059	5.189216667	neg													327.0693989	308.0452078	507.6969218	387.8870577	54.91207994	207.2863157	113.6062353	1779.060256	1684.934928	94.8821085	233.778985	868.1576747	20.35569537	31.66484205	0.000297236	185.8179704	32.24805959	11.89289774	2.751587647
5.20_138.9947m/z	138.9946564	5.202733333	pos													2682.236872	2728.100208	2767.203527	2747.213823	2730.075962	2518.157635	2615.366346	2879.820538	2734.946457	2588.866143	2990.991423	2927.393057	2701.621535	2939.846266	2930.752222	3171.166136	2943.020072	2947.020315	2693.380284
5.20_215.9644m/z	215.9644253	5.202733333	pos													7001.190778	8312.82062	7855.626853	1946.601488	1336.641813	1325.061144	1339.865599	37821.28794	51187.87745	1367.719717	1520.426381	18767.69541	1307.342641	1293.443693	1196.584713	1402.953706	1091.873505	1267.18822	1318.417164
5.20_298.1465m/z	298.1464914	5.202733333	pos													1628.890456	1236.090925	1888.493902	1919.649555	2931.520733	1541.83532	1885.110173	714.1886817	710.0310145	1800.417429	1603.135244	670.4627307	2049.57273	1627.804304	1591.790624	1944.213911	1286.849443	1376.917741	1446.269598
5.20_742.0098m/z	742.0098111	5.202733333	pos													838.4834542	798.1561279	555.2214966	361.7369503	1837.089869	504.2942584	1845.363232	639.5398215	460.503205	1112.294218	1061.04409	0.000297236	361.8840297	0.000297236	1075.734743	597.9592674	908.9737408	623.2189912	294.313643
5.21_130.9891m/z	130.9891266	5.210333333	neg													255.7144443	279.6847379	289.0540236	315.3751181	331.7706178	336.4165353	311.9550603	595.9078338	719.2988209	262.4382526	326.6097664	410.0340055	244.892599	310.52123	233.6572758	261.9948945	258.1166228	315.4934295	254.51154
5.21_213.9494m/z	213.9493534	5.210333333	neg													786.1816355	1034.102249	789.1455803	380.4199997	398.4442606	383.7036069	402.3900439	4116.153439	5180.291181	352.6814465	331.998591	1728.6088	340.689231	368.867276	348.6985346	413.8474458	329.7174496	352.0457144	414.4334627
5.21_215.9464m/z	215.9463694	5.210333333	neg													346.2668675	444.7995181	377.1769194	9.671126418	9.490781619	1.114058474	3.509726993	2351.395459	3212.774541	13.14152517	5.002708996	885.8090505	2.032613129	9.343153053	7.903202293	5.811975051	2.218009209	6.362718515	9.944525213
5.21_248.9309m/z	248.9309241	5.210333333	neg													160.9503955	214.2802964	269.3621844	70.55885709	93.23324437	62.65572281	29.66065771	1513.476165	1969.879101	0.000297236	40.62044528	963.3921535	70.78781533	59.07053403	95.39886426	75.39495901	92.60271431	79.43284165	29.33391021
5.21_272.0540m/z	272.0540042	5.210333333	neg													143.4854531	217.9732785	132.601202	125.1838937	283.0517614	1236.141945	64.51505342	37.8537605	0.000297236	330.2214617	54.58675061	0.000297236	37.17375245	0.000297236	357.1141225	210.0709478	276.6849937	104.7486358	40.26337733
5.21_281.9374m/z	281.9374401	5.210333333	neg													2163.775503	2581.99359	2335.574381	1443.407088	1304.512608	1348.981164	1268.225389	7919.64044	10588.17893	1333.974524	1557.410124	4064.900121	1106.147067	1340.613594	1077.969988	1498.338221	1089.340439	1323.00224	1121.588258
5.21_333.9084m/z	333.9083565	5.210333333	neg													708.7032911	944.3748546	903.433053	991.125766	1007.495432	946.5593699	796.3953422	1392.192833	1803.59806	853.7559744	862.2676177	1080.381752	1023.721727	868.2313264	950.7410514	1011.776351	764.055966	1260.952089	785.8915303
5.21_349.9248m/z	349.9247774	5.210333333	neg													2322.064181	3045.194057	2815.580156	2915.62776	2812.89951	2636.588367	2201.476131	7287.921674	8466.310744	2871.456088	2633.965177	3922.155891	2696.44044	2108.201182	2258.719187	2827.927133	1626.1521	2634.604419	2409.979957
5.21_417.9120m/z	417.912046	5.210333333	neg													2011.881696	2393.636734	2214.644765	2728.431955	2594.942326	2451.158003	2148.59254	4372.158829	5343.416535	2883.527132	2771.550483	2679.157601	1986.213857	2509.988097	2177.222626	2319.652865	2159.837812	2670.635111	2016.606153
5.21_485.9003m/z	485.9002601	5.210333333	neg													883.6383317	1425.927629	1313.7654	1383.779878	1563.577615	1565.131351	1629.07986	2260.004712	2851.163831	1524.001971	1941.715611	1149.390903	1246.62496	1318.692409	1226.473367	1129.417009	1295.502718	1722.762117	1092.987476
5.21_501.8634m/z	501.8633997	5.210333333	neg													1504.413276	2014.087953	1713.818505	2677.158348	2422.449167	2265.270321	2065.606054	852.4355329	1371.634525	2005.95083	2586.441756	1243.353443	1833.777603	2069.254692	1764.576127	2106.116849	1965.189633	2480.543615	1572.453578
5.22_219.9583m/z	219.9582699	5.221116667	pos													590.6576787	857.4230217	753.2398935	120.829005	47.63535383	0.000297236	44.17013647	4339.255839	5768.968725	0.000297236	0.000297236	1828.411864	112.4594945	0.000297236	58.84488352	43.12759124	111.6440835	0.000297236	45.7248879
5.23_377.0478m/z	377.0478392	5.2307	neg													2199.604185	2201.850602	2053.925377	3123.297851	2448.190753	2279.046166	2058.60523	1977.347101	1967.701435	2923.927093	2221.390054	2177.99869	3042.165092	2337.150464	2306.930414	2656.262083	2331.228066	2895.859595	2110.124351
5.23_428.9614m/z	428.9613693	5.2307	neg													4558.606217	5463.999274	5231.762446	6113.902348	6057.870103	5881.568649	5540.665196	4851.824518	4780.804001	5667.168203	5873.066374	5099.027004	6617.890375	5364.970348	5601.891511	5711.026645	4916.304629	6589.761248	5979.626346
5.23_588.8246m/z	588.8245928	5.2307	neg													8952.691124	9233.332258	8815.006332	10799.43996	9795.443933	9545.040903	9222.226	8267.51188	8040.289394	10616.89717	9956.577379	8821.279879	9911.986932	10072.26573	9225.484849	9130.107279	8213.256379	10284.52202	10349.53072
5.24_158.0178m/z	158.0178102	5.239933333	pos													39008.04181	40857.59762	39283.94169	41234.47821	37378.51852	39368.20538	38385.34975	39293.38238	38425.08127	38295.00022	40114.46076	41554.50299	40330.18113	41138.4001	42532.18697	43190.01603	40748.14661	42045.52951	39441.69348
5.24_181.9774m/z	181.9774015	5.239933333	pos													1877.905571	1855.562608	2021.246482	1604.790224	1684.003143	1759.450667	1807.998421	1791.151439	1713.429555	1855.184926	1857.383628	1735.238795	1798.766244	1869.020761	1913.159126	2385.038345	1851.681624	2074.69996	1810.201888
5.24_190.5350m/z	190.5350454	5.239933333	pos													323.9064163	294.0213465	289.8850942	329.4623472	319.5131136	280.5033908	353.2058311	251.274683	274.6255714	288.8350217	283.5895578	248.1419046	359.1790399	204.9293705	328.9078457	394.4727278	266.7302421	260.0637197	365.4245078
5.24_427.3775m/z	427.3774737	5.239933333	pos													5633.542199	6165.92018	4122.68737	6658.093605	4032.04763	6624.281379	6422.926403	5587.567766	5472.082468	5824.415042	6172.777774	3736.467656	5695.405858	4063.455528	6014.88259	8229.231829	6693.23785	5975.949528	3870.727983
5.24_679.8552m/z	679.85518	5.239933333	pos													2086.961866	2465.882149	2011.373292	1062.997719	4145.901017	2770.693897	4890.425645	3066.631988	1773.593426	4762.170909	1623.509219	855.3749326	2794.975676	1375.692781	2829.474882	1524.269399	1885.990131	559.0557243	1839.200371
5.25_226.0270m/z	226.0270355	5.250316667	neg													507.3195271	517.5921164	469.9212092	262.6915249	361.4984729	266.146164	242.8326327	1338.870532	1827.655153	296.2907517	253.3273759	915.432867	265.678399	218.6942686	318.4797062	358.3917397	250.7471246	327.0904764	251.5457651
5.25_273.0166m/z	273.0166207	5.250316667	neg													12590.41726	13814.67727	13227.29481	14198.99839	14453.27846	13631.34845	14438.35612	12420.42145	12539.11326	14248.93708	15032.64725	12338.22989	12786.52804	13555.17839	13057.96525	14962.54315	13567.83248	13953.49819	13971.23663
5.25_677.3402m/z	677.3401615	5.250316667	neg													1106.433348	1041.794886	914.6755066	644.3313739	1980.328401	1553.954878	2172.652505	1517.705765	1153.142647	2660.985667	650.581455	664.9154231	1699.24444	859.9610967	1036.819196	261.4366809	1275.367792	325.8276073	332.1862696
5.26_681.8667m/z	681.8666613	5.260683333	pos													1051.259302	856.6571491	589.5473697	694.8127755	1875.650568	1098.694823	1683.792518	0.000297236	0.000297236	1984.613765	2105.173026	0.000297236	760.2299155	1126.51356	1351.737823	680.7366086	1313.603688	1782.101356	311.3144145
5.26_682.3688m/z	682.3688376	5.260683333	pos													908.6861775	1162.279768	1372.492808	459.8516757	1613.636112	765.0449071	2511.576758	765.1316064	701.6589248	1245.389013	1381.210707	0.000297236	1110.72956	1389.217794	1335.37741	812.8797331	1286.82321	845.4742999	2519.646677
5.27_187.0965m/z	187.0965166	5.271183333	neg													11984.56606	12162.13707	12743.19295	10173.9097	11987.11862	11446.89017	10909.80083	19006.46098	11154.87341	10021.29659	11540.64938	10010.4084	11154.61591	10208.26517	11029.34667	10220.48269	9454.037677	11047.7282	10281.83341
5.27_345.0541m/z	345.0541479	5.271183333	neg													1348.287459	1321.718595	1246.567495	1093.483648	1392.45528	1209.928467	1163.779387	2226.58777	1312.818255	1102.242298	1027.878968	996.0416879	1301.776929	948.9285046	1253.816004	976.560777	804.1851504	1140.330548	899.3974949
5.27_353.8836m/z	353.8836038	5.271183333	neg													356.7714933	246.6807124	344.1760616	2.326033943	1.185325859	1.954486545	3.534806334	2823.746018	3597.364868	6.760275871	1.612729778	724.6005608	0.602285172	0.476958658	0.000297236	1.823468429	0.094377203	4.645919991	3.066675791
5.27_452.1495m/z	452.1495188	5.271183333	neg													315.8951991	245.344448	313.3239975	82.51327472	156.7396456	139.5731449	84.37093927	2052.427365	990.3334023	138.3477234	0.000297236	607.1939339	97.66035884	103.9430997	0.000297236	0.000297236	77.1250111	74.53489066	153.1160877
5.27_599.2684m/z	599.2684164	5.271183333	neg													655.2374187	624.6349083	647.1958717	394.16415	471.3535635	242.8234037	1265.293054	0.000297236	164.3779488	789.8891009	653.8535493	372.0760747	904.4222573	814.2881916	707.1477427	235.8694815	616.175944	371.3198375	908.037906
5.28_197.1170m/z	197.1170396	5.281066667	pos													4625.694339	4515.002175	4473.486948	4391.57255	4135.528707	4343.486061	4404.281775	4295.474413	4616.67561	4570.116665	4842.199943	5030.861576	4631.96844	4543.864929	4772.634493	4677.737473	4577.916777	4442.272697	4418.6458
5.29_180.9878m/z	180.9878029	5.289466667	neg													2046.362138	2268.476477	2017.01172	1996.972163	2104.767471	1949.47614	2134.549096	1708.218202	1799.371713	1874.159212	2112.072821	1858.006429	2170.579372	1958.013576	1946.767937	2039.668622	1866.407456	2035.429739	2179.342554
5.30_202.9508m/z	202.9507761	5.30175	pos													3672.500566	4259.495487	3866.965067	3880.165041	3600.238211	3911.148575	3807.506628	3836.735187	3727.646101	3955.529985	3666.257798	4121.341895	3691.61267	4094.472361	4113.374816	4969.450319	3036.365545	4141.297695	4447.987088
5.32_116.5241m/z	116.52414	5.320483333	pos													1097.810082	1128.315869	990.8022438	1106.368536	1125.245298	932.868033	1068.555901	997.3246809	1122.070248	880.3756921	1033.804895	1182.479228	1095.704709	1112.818857	1198.518293	1422.259772	983.5219628	1252.300199	1190.481467
5.32_332.9218m/z	332.9217602	5.317916667	neg													1884.850982	1992.148539	1947.35406	2006.966563	1904.830487	1795.772399	2134.068595	1516.165564	2174.551809	2077.202534	2611.537347	1752.696333	1557.605331	1938.895055	1401.255772	1998.692521	1871.507998	1442.737282	2133.122918
5.34_130.5215m/z	130.5215049	5.3404	pos													2520.052844	2619.515659	2776.955747	2620.720836	2502.120266	2635.644079	2737.36717	2643.656405	2536.787167	2616.69848	2585.083109	2683.824036	2846.991414	2868.339742	2975.48758	2939.775805	2405.198184	2932.168904	2773.507105
5.35_336.1427m/z	336.1426895	5.348233333	neg													261.2814749	390.9682251	237.6352005	0.000297236	337.4729678	1950.202275	0.000297236	26.34375464	0.000297236	1988.349305	0.000297236	0.000297236	0.000297236	0.000297236	125.2257426	70.96172531	88.22626994	0.000297236	0.000297236
5.35_513.2718m/z	513.2718059	5.348233333	neg													437.8856365	578.5956651	664.4355349	292.3480113	479.6378202	534.6899512	265.4129294	0.000297236	1870.83959	484.5778631	267.7956369	250.3273235	308.3888453	358.7109701	822.1198465	588.0816879	1269.993701	278.5387682	212.2470081
5.36_1023.4755m/z	1023.475507	5.359366667	pos													2270.675113	2761.646455	2117.267853	0.000297236	952.4652486	598.1055284	3448.659796	4970.30743	5462.254982	3800.085229	4930.441018	580.1101408	1237.0626	3022.42621	1536.992254	2064.192522	1765.873705	0.000297236	0.000297236
5.36_273.1667m/z	273.1666691	5.359366667	pos													5340.618314	6708.38265	5602.440156	6180.822524	7029.268458	9120.163088	9850.95387	10029.76732	8813.801042	7008.950448	11464.12322	12182.65298	12425.76523	8600.312995	8390.706738	8898.231496	5540.50953	6604.580652	12180.31746
5.37_241.0535m/z	241.0535376	5.369183333	neg													1117.202318	1601.160519	1180.779237	1090.923261	1094.244244	1155.852261	1107.234652	845.1708965	843.7403226	1010.199102	1456.760277	1028.543601	1095.529889	1043.8456	1136.410509	849.0454493	1121.395435	997.1992703	1217.410709
5.37_242.0399m/z	242.0399381	5.369183333	neg													1010.53237	1497.036328	1133.306243	957.8153722	1103.716678	872.7342669	983.0588684	942.4333211	957.208819	1009.844423	1459.793349	1025.21825	981.5462178	1215.031174	1223.32298	1118.697546	1132.73388	938.4265667	1451.302534
5.37_308.0307m/z	308.0306717	5.369183333	neg													967.1094694	1409.622935	848.6582278	742.762865	952.9839451	796.2961454	832.6782644	343.3278614	738.2344004	904.3790876	1236.965274	934.1093188	784.4812677	995.2963212	984.2688289	1022.883023	994.1524052	423.297939	1241.198032
5.38_130.0078m/z	130.0077792	5.379533333	pos													1226.164532	1108.321818	1253.548233	1342.693037	1186.44995	1183.52986	1256.637178	1290.810675	1134.706545	1187.309942	1156.424688	1247.274146	1188.150967	1166.293747	1265.117721	1327.300452	1171.230358	1180.624514	1113.352732
5.38_208.1903m/z	208.1903293	5.379533333	pos													12691.44044	11230.50454	11992.5439	12005.2593	11285.09583	11679.3849	11722.80944	11647.34315	11541.11984	11702.53899	12431.45035	12269.81229	11920.43899	11949.7241	12554.65347	11487.35228	10878.5868	12062.68358	11603.35527
5.38_543.7580m/z	543.7579931	5.379533333	pos													3240.670516	3629.887945	3966.887309	3679.718672	4006.535827	4475.612421	5614.360403	2798.750887	2156.051815	6516.283901	6513.885799	1143.28567	5111.856032	5262.030652	4179.051382	4093.183585	4638.155102	3880.870623	4559.884754
5.38_544.2596m/z	544.2596032	5.379533333	pos													2505.380169	2222.962074	1606.96365	2236.240769	1764.590082	2292.025538	3400.276784	1230.263919	1187.801992	2970.777258	3241.827732	508.9287174	2529.881161	1807.613191	1621.936389	1957.538957	1614.828188	1491.71399	1707.484094
5.39_542.2457m/z	542.2457339	5.390516667	neg													686.2744648	622.2262263	845.9932386	870.2051422	740.795978	739.7392078	1318.483652	527.4994589	326.2657047	1039.805545	1830.968264	485.7193522	747.3438378	1030.012068	908.7655166	998.1973487	372.9862733	693.9314868	927.0457933
5.39_542.7516n	1084.494698	5.390516667	neg													4101.203577	5287.150705	5055.081561	4941.763243	4498.881842	4315.096269	10155.99315	3112.637221	1633.142737	9051.355028	10446.17097	942.8129967	6851.769864	8136.301778	6482.213139	4968.74243	4436.068835	3812.133926	6374.052813
5.41_155.0701m/z	155.0700744	5.406583333	neg													979.0238832	981.8630909	1039.875491	990.0711047	1062.96299	1008.91284	1099.912097	921.4011656	1113.34711	1193.976489	1235.105586	1124.900021	1206.981642	1306.169154	1055.129027	1073.445569	966.0422899	1003.498537	1098.62726
5.41_192.9882m/z	192.9881886	5.406583333	neg													3419.039875	3737.983165	3735.752983	3950.342507	3950.835107	3535.904699	3913.867857	3649.710076	3414.04458	3764.584531	4319.498466	3346.142597	3608.873506	3661.038638	3397.78863	3852.095817	3658.90047	3887.675309	3608.712234
5.41_407.2075m/z	407.2075493	5.406583333	neg													662.9876756	726.7946465	754.2647106	638.8942707	723.6471019	533.2107664	889.9660456	1024.096694	455.6629852	534.7243841	1269.658645	576.1751499	831.7068416	877.8973013	674.7864772	1134.952363	839.9962183	879.4060009	962.1216722
5.42_183.1015m/z	183.101466	5.4245	neg													908.6431761	1071.661097	900.3164432	811.118951	983.6257439	924.5535571	734.9769913	866.7716086	937.1973035	897.0991767	960.0817166	933.4884568	880.3195259	1077.67596	924.0729889	902.7599952	779.5563647	806.0760557	817.4842849
5.42_221.0037m/z	221.0037402	5.4245	neg													536.0738284	711.3552628	596.4426294	700.25753	678.1725821	559.5267743	628.8392134	745.1688162	882.3440795	898.9985185	872.4777885	708.9270402	573.2427344	703.4077508	656.1812005	626.3402655	712.5094654	538.9510372	553.6754375
5.42_530.2794m/z	530.2793713	5.4245	neg													2488.227809	2232.554336	2496.679791	1202.711975	2496.903309	2083.151799	2406.611709	3703.777981	5489.730342	1828.415155	2783.058443	6822.436242	1461.813948	1970.335344	3918.723804	1388.950887	1331.666723	2737.953213	1124.725357
5.42_893.1271m/z	893.1270718	5.4181	pos													2452.069281	1915.969322	2055.284363	4662.442808	5175.43241	1312.931907	1251.016891	2934.918569	3451.897003	1852.544973	2048.620332	4426.903197	2527.612681	2058.373336	686.0057064	1343.566492	1462.915824	3160.302911	1029.133464
5.42_893.4612m/z	893.4612282	5.4181	pos													819.0318534	1157.812436	1499.05879	1777.44737	3745.729543	1037.51946	1424.324283	3464.352409	1935.634889	1236.694793	905.8055889	1673.734596	1907.188446	1422.317096	1918.014015	1884.368729	1331.16677	3144.247788	1406.395195
5.44_209.1162m/z	209.1162088	5.437316667	pos													2359.94864	2214.183975	2180.097441	2440.868519	2326.274019	2387.772609	2505.887939	2552.699725	2494.79816	1942.949778	2559.065708	2659.034579	2315.337821	2379.161825	2440.515618	2344.785915	2250.703579	2302.811971	2287.751728
5.45_218.9853m/z	218.9853099	5.446083333	neg													2421.006234	2328.954319	2279.13842	2283.610402	2463.167931	1995.78468	2535.969014	2379.382418	2620.406691	2667.998335	2910.949303	2330.850013	2283.960197	2434.85065	2580.807518	2820.285077	2734.920829	2540.442076	2053.25519
5.45_262.9758m/z	262.9758115	5.446083333	neg													5086.279569	4675.322369	5168.961054	4922.836074	4889.76012	4530.417771	5279.345098	4712.781987	5083.655773	4905.133538	5790.871269	5050.853362	4721.51383	5477.513965	5320.792362	5860.177007	4545.662199	5252.46974	4825.829554
5.45_346.9584m/z	346.9584295	5.446083333	neg													2058.681157	2251.270257	2026.005608	2058.460043	2223.41302	2418.437187	2533.776336	2091.615462	2218.54426	2242.161735	2986.610911	1734.905603	1940.886789	2207.825566	2252.453043	2489.612887	2111.831387	2170.857228	1882.806379
5.46_215.2002m/z	215.2002458	5.458316667	pos													450.2465334	490.0680492	553.4692837	383.7211171	596.4839647	514.6866393	582.6821953	542.418921	595.3042093	527.7994723	591.2089328	467.4476192	460.0732336	539.4417144	620.0659018	602.7085918	600.9938046	658.1242189	524.0997138
5.46_304.8936m/z	304.8936263	5.458316667	pos													3518.105305	3392.388183	3456.2328	3438.812315	3415.706448	3429.855954	3161.216552	3448.178996	3363.565477	3377.872492	3139.368656	3564.629256	2887.388231	3055.009918	3232.384266	3481.373901	3603.331353	3698.963687	2803.859771
5.46_374.2184m/z	374.2183767	5.464283333	neg													378.1765031	399.4800631	360.9026184	120.2374789	314.2925782	761.0502273	199.8189512	1508.239985	2156.617691	366.2723473	129.6482241	667.5747255	120.3780891	96.02810154	129.7217727	49.30787985	122.1996347	120.5353962	195.5104529
5.48_145.0857m/z	145.0856722	5.4843	neg													2254.076131	2359.865862	2362.488731	2301.212065	2608.199873	2310.051548	2394.591872	2184.662793	2654.823856	2045.253307	2665.062514	2058.619218	2112.491314	2338.812451	2353.214852	2287.970744	2297.03397	2471.236	1990.460022
5.48_849.7786m/z	849.7785821	5.4788	pos													5000.083557	5428.753276	5423.160242	6665.055071	13384.99562	5447.677567	4385.10972	8849.679777	6003.878191	4880.357513	5209.145943	8189.679202	5844.836831	5718.418163	4419.74208	4738.871034	3756.79105	9777.114432	6141.736071
5.48_850.1131m/z	850.1130986	5.4788	pos													4666.075914	6090.877027	3633.951508	7820.015434	14017.075	6776.900692	2860.274316	7198.224723	6416.005662	6502.618621	4942.733695	8172.885996	7027.583671	3388.152497	5848.859574	4359.988349	4349.897996	9475.867182	4990.016116
5.48_850.4477m/z	850.4476647	5.4788	pos													3188.545844	3170.499689	3575.890381	4577.582283	8792.962566	4068.642011	3380.098265	5265.017438	4697.971218	4076.735796	3111.082478	3279.668508	3109.230139	2731.521292	2667.828945	3096.36573	2404.919561	7025.1249	3269.421776
5.50_186.9792m/z	186.9792226	5.501433333	neg													116.1912093	88.74454169	119.4928771	22.70167917	16.13740644	0.000297236	23.18552128	532.2371871	958.6233746	0.000297236	0.000297236	754.9049918	13.52703258	0.000297236	0.000297236	11.70401969	20.55925021	9.673859691	0.000297236
5.51_155.1064m/z	155.1064152	5.513133333	neg													129.4168768	128.9764531	163.2088664	88.61731038	147.8979687	91.16828675	135.5779788	400.8555392	450.8490608	121.4108036	77.35270053	164.7657424	69.49247597	102.6789498	44.93868621	41.64227927	75.26957518	82.67436531	105.2773485
5.51_186.1125m/z	186.1124743	5.513133333	neg													5290.069005	5190.162506	6040.765097	5463.24867	7182.46315	4694.251878	6029.24938	5059.810424	4387.425322	4839.981147	5571.680134	4451.821249	4760.473915	5629.649125	6426.071306	5955.672838	6794.016098	5793.577496	5545.772107
5.51_221.0791m/z	221.0790593	5.513133333	neg													736.2804829	542.234206	697.3447723	675.1899517	592.1177304	622.0553569	588.4249109	1393.943604	1256.170128	412.5410685	562.3648914	744.6828545	507.6212299	449.1150242	512.1650506	609.1956509	590.7478208	751.8183844	568.2807344
5.51_254.1007m/z	254.1007268	5.513133333	neg													464.5234368	473.0823823	548.689635	378.6909482	987.5444767	393.9902	353.1942753	352.0056754	266.8988699	382.1148393	434.7423276	165.8665337	265.0687376	377.3544815	772.4789921	458.9988142	847.3071978	531.30063	525.9470016
5.51_410.3024m/z	410.3024025	5.513133333	neg													392.2478671	286.772621	473.0423959	345.6754985	198.6432865	495.1173354	367.8935044	900.3286157	1128.907982	324.9402368	362.3118809	636.9750197	127.2143708	192.3638494	395.688652	681.5690408	892.9106569	799.0103016	175.6054018
5.52_138.9951m/z	138.9951125	5.519683333	pos													1249.028793	1041.127639	1182.609442	1285.338035	1125.167512	1199.605493	1040.49727	1178.020229	1187.722448	1122.610942	1115.506138	1095.782846	1077.670628	1088.413854	1146.249235	1186.166029	1141.040985	1290.623478	1063.14935
5.52_199.1796m/z	199.1795703	5.519683333	pos													4069.868027	4141.035421	3992.010341	4579.590288	4004.293807	4293.491831	4035.552599	3806.48859	3897.002905	4333.214601	4388.991135	4203.117646	3721.28609	4089.95599	4250.348202	4197.646944	3507.815423	4350.566341	4321.429357
5.52_206.6618m/z	206.6617841	5.519683333	pos													1137.892795	934.6023662	1214.979778	816.3544407	727.6845019	1090.751321	902.7062339	2092.513343	2150.084494	952.2472185	943.5583145	2072.386207	703.0783767	530.272916	1711.94503	1463.389196	1956.433637	2136.781481	684.4853716
5.54_198.1250n	199.1322506	5.539733333	pos													3359.430704	3664.821365	3464.67263	3369.95005	3113.638042	3272.004277	3465.671052	3193.111592	3125.697416	3242.769496	3387.912303	3715.505959	3329.486257	3337.679191	3714.669867	3518.545659	3199.513716	3509.377714	3359.243647
5.55_313.1195m/z	313.1195042	5.549333333	neg													767.4267691	701.884321	818.0672557	605.9265503	1225.031406	755.808709	800.9982594	557.2754488	632.544044	910.1950648	462.1871556	832.0802521	388.1139577	322.4663998	647.3784433	751.1290503	770.285221	761.1934242	861.8149386
5.56_185.1172m/z	185.117183	5.560616667	neg													848.5876248	770.799808	952.4482624	856.3197039	788.3724193	852.2446059	949.2731236	938.2074355	675.7762718	749.272647	870.1010195	770.3233458	819.6752739	1145.548827	783.1287105	852.6718309	979.3740664	879.1280253	881.2761338
5.56_198.1125m/z	198.1125492	5.560616667	neg													254.6639425	180.9250889	232.556282	115.940477	278.6909848	295.7523717	256.0188752	403.0129314	265.3559338	272.7828327	157.2412044	264.2798234	220.9482216	141.5956115	181.9351747	87.3238695	201.1916166	68.80199635	217.3100053
5.56_218.1205m/z	218.1205398	5.558333333	pos													3321.571978	3996.407631	3630.451267	1340.37971	4480.394257	3094.338113	3315.024822	4674.117719	8366.646483	3409.412824	1823.65266	3410.153011	3893.977217	4807.908878	2555.432343	3205.871058	2525.870272	1323.956224	2060.186809
5.56_428.9614m/z	428.9614345	5.560616667	neg													3832.918145	4564.326489	4634.820375	4880.177671	4798.313431	4660.268285	5127.115408	4414.725417	4626.264583	4240.544664	4645.606632	4284.271127	4210.465033	4297.026858	3919.606607	5275.632346	4756.861089	4513.062258	5514.07387
5.58_189.9585m/z	189.958473	5.578866667	pos													2528.924195	2661.577837	2424.490303	384.6326518	286.1505865	337.3267081	292.3304709	13984.47853	16997.90248	317.5484792	232.2390037	6573.495769	377.7338065	235.3750025	426.1597076	466.0729585	334.4984109	275.762037	343.8921427
5.58_318.8713m/z	318.8712981	5.5791	neg													6051.31987	5624.983256	5778.972572	5987.142069	6543.726348	5902.4987	6573.581609	5588.389337	5561.947995	5674.385119	6529.962116	5633.678223	6058.578579	6207.437717	5630.982589	6634.468385	6236.35895	6152.411921	5955.758494
5.59_187.1329m/z	187.1329006	5.5919	neg													462.3517012	482.9409316	613.8935811	555.8418171	657.3461499	395.9020934	623.956285	540.3139891	472.7886259	472.104273	617.6626684	577.2020166	517.3515799	744.7080845	561.9120099	512.7996837	775.7288625	527.5644367	591.1474418
5.59_332.9218m/z	332.9217545	5.5919	neg													2284.143274	2870.068596	2609.645376	2341.359448	2993.963483	2409.179969	2861.24457	3109.670023	2509.852198	2144.266505	2707.40543	2650.084269	2724.429688	2843.719954	2278.630307	2336.195704	3239.022315	1952.8467	3201.332225
5.61_276.9914m/z	276.991441	5.613333333	neg													25687.95588	27549.73897	26868.9919	28360.15885	27574.03393	25718.73011	28862.46242	25297.84416	25445.07689	27423.55516	30842.64641	24383.61885	26276.93108	26710.60559	25799.85179	29643.11084	28711.59039	27947.5321	26828.92382
5.61_314.9323m/z	314.9323011	5.613333333	neg													1236.309544	1804.489389	1590.079852	1477.518039	1836.846288	1234.813261	1529.591123	1498.92559	1138.233913	1829.290215	1373.391008	1722.591482	1568.937925	1480.191216	1488.715459	1888.777504	1715.077034	1117.487429	1888.147577
5.62_152.0162m/z	152.016241	5.618966667	pos													2667.161014	2648.256118	2656.130505	2713.436287	2435.71337	2805.025438	2665.655452	2822.335895	2942.760148	2816.320928	2991.514427	2627.278194	2519.368935	2741.983047	3182.838548	2800.688822	2502.350646	2917.223717	2596.178275
5.62_166.1059m/z	166.1058571	5.618966667	pos													1681.176751	1805.190158	1915.387374	1383.860479	879.1318328	1616.814205	1564.793487	1030.196142	1844.380903	1947.622853	1890.514264	1804.980575	2621.749878	1761.501533	1679.974176	2164.593551	2676.635641	1539.792192	1619.095182
5.62_229.1422m/z	229.1421743	5.618966667	pos													6206.201833	5544.58237	5602.748116	5563.453927	4743.145008	4774.36717	5040.304298	5077.068275	5795.08297	5158.512772	5339.313351	6000.882876	5289.555637	5785.01738	5655.061475	5246.213928	5278.339626	5472.238024	4741.477367
5.63_183.9948n	182.9874878	5.6296	neg													71180.7128	69255.51019	71582.93767	77586.12773	75252.44488	68961.59238	75464.42531	72309.90639	67629.73207	68908.52343	79522.52724	67715.50609	70478.98456	73469.68905	68976.7697	80104.25877	77288.93388	75742.10309	70940.61983
5.63_531.2825m/z	531.2824672	5.6296	neg													674.3200262	912.5734011	701.6293831	138.5292488	443.7541815	563.051838	219.6997058	1895.947577	3283.26038	229.0354957	310.9712988	2775.160773	107.6905758	505.247145	977.0334892	85.59424166	149.5510722	363.9760725	218.9421345
5.64_252.2164m/z	252.2163817	5.6385	pos													2545.497954	1923.264675	2565.211334	2276.313806	2097.424724	1994.740423	2020.974326	2202.697039	2605.306327	2195.201523	2458.07886	2154.979699	2011.766302	2413.025111	1860.374841	1853.11753	2241.103078	2094.545406	1983.241155
5.64_287.2210m/z	287.220999	5.6385	pos													10916.7187	10553.63305	11060.21136	10584.72794	10654.02203	11045.10513	11043.60398	10571.88828	10915.77677	11146.89899	12120.20502	11398.77604	10170.16696	10569.83361	11390.44516	10330.32005	10556.04537	10419.35132	9775.746259
5.66_130.5215m/z	130.5215157	5.65875	pos													3727.547778	3748.735432	3719.436505	3837.328695	3757.888218	3788.78211	3778.088749	3609.346507	3706.001576	3779.210573	3826.334922	3893.463404	3877.406045	4004.367927	4196.989212	3935.624093	3880.536478	4013.429583	3902.446357
5.66_196.9832m/z	196.9832283	5.662716667	neg													800.7213884	723.2479562	717.5513176	825.9605974	1094.99917	714.993763	612.0689397	640.6175964	621.0059757	891.414869	651.3673917	686.4799616	744.9207948	807.6677072	798.2879611	858.4022267	740.4829152	611.2753088	979.7747992
5.66_694.8607m/z	694.8607194	5.65875	pos													1896.011369	1280.520174	1155.67981	1807.456404	2561.898705	4403.341302	4364.559546	0.000297236	0.000297236	2549.139776	1243.089634	286.8495691	3078.749396	3128.010301	4536.246322	2375.724094	4474.089244	1826.769056	11257.15457
5.66_695.1112m/z	695.1112213	5.65875	pos													2095.593455	1809.474298	2154.38974	2083.472683	1620.535842	4932.217392	9106.023515	595.9387201	0.000297236	3678.874557	2308.551487	367.1039365	4027.905705	3741.097957	5144.619615	5196.712562	5225.204718	4482.270398	10891.06757
5.68_234.1331m/z	234.1331191	5.679633333	pos													4731.864717	3837.247179	4408.541468	4380.438078	4292.526497	4074.58927	4009.136517	4295.575864	3961.806746	4113.871067	4636.448894	4372.703734	4254.483133	4230.370906	4395.411583	3432.638201	4233.791344	4466.443085	4225.147219
5.68_343.2599m/z	343.259892	5.679333333	neg													476.5722787	435.2715903	420.6712647	475.0764366	549.1746296	493.2568471	449.1632901	103.0125687	141.9092075	474.7990929	710.5356904	147.5328335	707.7727667	517.0688121	473.7684824	534.1238663	499.1891632	671.1051157	743.4953242
5.68_611.2430m/z	611.2430464	5.679633333	pos													6801.960682	6109.395964	6733.998758	7569.725586	7975.173572	14287.87923	5989.245602	296.0572277	14328.45243	6094.004268	8240.108036	5830.777305	4208.076546	4998.969979	10191.34985	6252.470748	5872.685681	5999.417273	3609.49652
5.70_187.1329m/z	187.1328752	5.695966667	neg													600.0203944	645.613716	550.4720535	715.2762982	601.687166	710.2077578	426.1779391	353.5701911	381.3482346	634.3401003	655.14069	544.4542017	573.9241815	552.996986	593.6443275	603.9778266	608.2254963	641.7730957	533.753957
5.70_218.9852m/z	218.9852313	5.695966667	neg													4555.977066	4047.083384	4180.848127	4545.840938	5022.956569	4187.063757	4328.105323	3809.828225	3860.08537	4140.598148	4727.422772	4126.879242	4913.308665	4599.727052	4445.599291	5136.383362	4380.316783	4394.406009	4414.168054
5.70_498.7335m/z	498.7335155	5.7003	pos													1168.099652	1370.837417	1092.128006	1791.950537	865.1690348	1790.330422	2133.816766	991.9231932	641.3987832	1218.79428	1535.977182	1018.230624	2221.500579	1779.403796	1111.028183	928.2552216	1392.626325	897.4216978	1421.156892
5.70_614.2085m/z	614.2085484	5.695966667	neg													4743.643446	4477.328144	4384.370875	3533.30323	4809.515418	6173.258771	2997.151408	535.0099156	5790.339918	3914.113375	4532.671921	3004.077892	1921.230871	2190.856302	11894.41755	3286.644167	3578.347982	6485.526143	2422.021963
5.71_170.9864m/z	170.9863802	5.709316667	neg													2272.42887	2286.050296	2184.652312	2652.205632	2795.274187	2280.066603	2609.774854	2305.80461	2032.630559	2256.850013	2698.773238	2268.195386	2503.540399	2360.768981	2094.588417	2407.322129	2675.689961	2209.790765	2222.154386
5.71_186.1124m/z	186.1124467	5.709316667	neg													2612.421008	2192.43291	2332.906157	2679.432294	2047.386254	2423.353614	2226.95467	1224.96041	1654.534783	2540.177857	2947.685591	1460.460572	3089.893536	3013.630603	2042.718019	2213.52138	2482.381303	2998.494635	1866.395779
5.71_262.9758m/z	262.9757836	5.709316667	neg													11315.85887	9873.836386	10667.85947	11556.79024	11165.30368	9991.444345	11122.82918	9550.88216	9417.938245	10107.89439	11583.87672	10190.47999	11364.23437	11256.4961	10211.28144	12916.91732	11419.18388	11644.91871	10457.61872
5.72_202.1798m/z	202.1797905	5.721516667	pos													1072.727788	934.7796151	1024.075295	1083.701595	1091.246573	1012.67933	1207.418446	1281.497412	1014.144023	1258.981663	1121.957181	1177.887708	954.886651	1158.086753	1146.048443	1040.705877	1075.797728	999.5556814	1156.226315
5.72_297.1196m/z	297.11957	5.721516667	pos													439.6441687	461.5913429	435.009388	110.2573173	429.5148467	573.7896047	197.3959136	0.000297236	319.2789627	446.5095947	97.3214562	237.7683302	282.1878485	187.6012798	2153.557934	244.430196	407.4972445	618.6642763	225.1771434
5.72_560.2620m/z	560.2620358	5.721516667	pos													37612.76968	37615.74366	38254.47069	28771.77157	35247.10589	54032.03817	27898.19496	6939.570962	48653.96067	34995.71459	31407.69451	26800.37652	24295.74731	24282.42602	119478.2615	25009.93101	37663.17609	44364.51931	20665.82447
5.73_572.2431m/z	572.243117	5.730166667	neg													14015.97693	13527.56644	12504.15393	10144.5612	14614.32308	19019.47475	10566.80862	2386.817876	18872.28527	12742.36641	13467.61271	8796.341871	7868.876834	8056.709067	41499.30553	9342.654222	11394.00778	18631.09297	7177.36979
5.73_640.2302m/z	640.2301722	5.730166667	neg													6357.591668	8460.201039	6971.7002	5699.959671	8921.798712	10763.21363	6157.750301	1027.237015	10952.37573	6339.479378	7192.21045	5333.802534	4443.227831	4237.815406	23470.04898	4876.108839	6403.382386	10716.44166	4539.908592
5.73_660.2141m/z	660.2140595	5.730166667	neg													2982.55039	2412.874796	3101.163666	1365.794746	2110.88671	4334.950324	1255.659814	0.000297236	3570.200468	2900.330206	2617.999962	1680.934174	2287.7061	1681.668558	15641.64931	1111.755065	3253.430908	5498.966099	1392.874672
5.73_667.2495m/z	667.2494594	5.730166667	neg													4230.111706	5068.363079	4526.849751	3897.236148	5496.054275	8025.661827	3836.161131	764.9426344	6120.996279	4523.559212	4571.544012	3237.788216	2775.312771	2794.565677	15153.41666	2960.45812	4314.540686	7212.300663	1954.934568
5.73_682.1958m/z	682.1958191	5.730166667	neg													4740.690698	4517.821726	4320.472527	3086.324508	5518.683537	6873.604318	3607.283253	426.7493822	5714.793388	4029.231423	4420.269495	2985.787046	2413.685355	2763.593977	16156.17387	2785.34128	4224.6075	6743.393796	1799.044407
5.73_708.2174m/z	708.2174415	5.730166667	neg													3528.223223	3502.753301	4079.687982	2531.772692	5066.21216	5196.963028	2645.672902	172.2864958	5592.922921	4306.442825	3595.008489	2033.331564	1499.395785	1697.796406	13301.30617	1750.5499	3927.002096	4893.242733	1538.534583
5.73_718.2469m/z	718.2468581	5.730166667	neg													34786.48617	34993.1381	36956.16458	31646.86851	38751.95374	50012.21411	30311.64814	7299.253767	44653.23856	38452.67915	35753.82312	22067.06777	23819.95698	25828.88408	109608.1543	24258.8727	33110.37394	55120.96018	21750.68834
5.73_750.1829m/z	750.1829472	5.730166667	neg													1183.682552	814.2171979	1370.69927	696.1230859	1069.472515	1476.30629	622.1623289	0.000297236	694.0680525	1510.268429	531.2051819	805.4005095	819.5060012	625.5818829	5187.372631	226.7933245	1460.201517	2739.204582	344.4023336
5.73_786.2341m/z	786.2340969	5.730166667	neg													16272.65327	17493.42587	17470.65954	13978.63729	20315.13844	25213.51346	14770.39526	2677.503345	23238.53099	16349.44337	16591.88129	10667.01202	11639.83062	10676.10932	50666.51444	11088.81836	14667.80281	22418.24249	10049.43785
5.73_854.2215m/z	854.2214689	5.730166667	neg													8234.655927	9231.206976	9487.711044	7162.924351	10760.80877	14060.49931	7182.709241	1366.420177	11838.54699	9500.137395	7505.506581	5842.007161	5716.006807	5238.484925	28623.3589	6275.029378	9100.634914	12434.53115	4927.24447
5.73_922.2093m/z	922.2093081	5.730166667	neg													5764.874817	5547.114702	5174.833861	3578.163536	6554.410549	7473.157262	3300.760486	452.7088708	6843.927956	5450.437364	4490.584042	2913.370974	3416.079169	2600.111664	16848.47408	3619.979635	5255.553048	8316.9586	2737.524114
5.73_990.1961m/z	990.1961487	5.730166667	neg													2853.198916	2383.512009	3242.171562	2713.922527	3525.791749	5395.559977	2309.736023	337.590243	4380.081574	2194.493879	2614.663142	1311.82778	957.1286697	1675.549694	8173.545524	1771.391312	1645.517509	4613.873054	1067.535005
5.74_326.6386m/z	326.6385556	5.740583333	pos													2325.018551	2355.912374	2338.851658	1026.139508	1614.447379	3123.532116	1153.162741	365.4673402	2082.789576	2437.835137	980.7797185	1586.178168	2221.116801	1262.36618	14459.77441	747.4670552	2106.84	4574.413613	1331.543816
5.74_480.2772m/z	480.2771768	5.740583333	pos													93844.50735	92164.2636	92544.32115	66807.981	82922.25083	127019.8453	68645.34075	20849.23716	108656.4793	87185.92869	71170.67047	61215.34552	60460.41151	67151.66717	352575.4537	56894.97202	92186.61338	134343.3712	55781.40007
5.75_102.9472m/z	102.9472318	5.751466667	neg													1188.592315	983.53468	1026.353319	1328.480734	1163.051081	1151.422891	1231.288811	1004.440574	918.5442677	1075.314192	1322.709118	1088.960876	1237.414956	1258.456538	975.7876201	1318.327458	1229.831685	1155.607489	1083.794445
5.75_206.9877m/z	206.9877041	5.751466667	neg													2059.549142	1998.522521	2236.032936	2392.435187	2296.30641	2217.409262	2237.268433	1619.113826	1909.062994	2153.606432	2622.800589	1955.003644	2344.86882	2121.194239	1874.653941	2214.482816	2195.279724	2300.001033	1864.44566
5.75_470.2216m/z	470.2215834	5.751466667	neg													455.2732285	356.6246252	630.8804038	996.7134237	110.0784312	604.9087625	428.7759805	184.1227097	0.000297236	382.2933293	390.0304969	377.1512171	1016.691561	1348.338134	521.7018766	858.3677813	1078.527403	540.0686914	678.1584456
5.77_500.2689m/z	500.2689134	5.771433333	neg													696.8356143	761.1309185	768.4784262	698.4481786	204.4005631	790.0645736	383.495581	0.000297236	325.0879566	1505.848532	192.5998731	458.4128676	306.4383864	402.4842734	6999.354775	0.000297236	515.347913	1436.948061	265.9191748
5.79_272.0962m/z	272.0961571	5.79205	neg													575.9839206	534.8063489	640.6283091	1195.126457	867.5808173	637.2417265	1200.530475	54.08335262	277.4263184	603.2761293	853.8601448	540.4568931	1438.017127	1108.967487	722.9778355	476.1380276	539.6872307	504.4796483	1236.622647
5.79_328.0802m/z	328.0801686	5.79205	neg													302.5486301	327.972573	233.4358848	561.0932675	187.9985257	143.4828652	118.3347466	352.2755704	301.4098316	252.1760328	343.2902916	518.6255131	278.6137242	160.8370055	184.9169637	339.7637278	287.4988516	759.7050086	481.934139
5.79_673.8754m/z	673.8753838	5.79205	neg													4573.42132	3732.472707	4569.14424	4764.529777	5240.495478	4142.914876	6053.646041	4576.414215	4911.932177	5003.448174	5098.551794	3146.659296	5705.769742	5655.929993	4032.773642	5394.690492	4505.957829	4692.911461	4628.950305
5.80_474.2514m/z	474.251401	5.799833333	pos													20340.70202	23896.58679	21174.23446	36708.42065	11002.32403	29935.98025	13604.95378	7066.833958	3775.525624	16472.87439	19903.94886	9064.876853	16803.72023	17889.80652	26982.81861	24603.87067	33248.05208	36029.5608	28832.282
5.81_115.0133m/z	115.0133431	5.813733333	neg													3082.959856	2983.520124	3097.267301	107.5131027	101.4658149	108.2403162	81.45385888	16895.69502	21260.36844	114.057871	122.3403883	3807.311095	84.1432665	84.58047746	81.37750245	100.9169294	84.23027093	93.93204995	104.7019514
5.81_198.1126m/z	198.1125668	5.813733333	neg													18546.29793	18592.0471	18073.75115	22061.67139	17376.41177	36509.81214	30826.64653	4872.672801	18441.42833	30491.96821	28263.78536	18970.99219	19762.89405	22339.77943	16901.43153	13416.9884	20443.07509	14782.73446	21676.40986
5.81_266.1008m/z	266.1008344	5.813733333	neg													5716.420579	5753.541605	5974.182596	6934.497768	5738.688722	11646.6514	9959.776713	1482.538142	5628.253305	9612.103847	9123.856943	5980.734056	6266.235086	7347.068838	5259.660126	4449.151781	6611.666454	4632.476031	6775.513673
5.81_351.8511n	396.8489228	5.813733333	neg													8451.980358	8856.689189	9029.578137	224.8903868	261.0674986	210.9089751	116.8423416	48828.50037	67257.87771	48.97528953	201.189447	10051.50336	279.8434675	202.0745386	0.000297236	141.0005235	249.6066066	174.7854628	86.62528062
5.81_400.8431m/z	400.8430797	5.813733333	neg													13401.56173	14533.36893	14131.99356	934.9266611	883.5704274	825.9099246	720.162054	73669.63525	101842.8583	679.8827269	964.2670255	15959.75442	919.1147466	941.3174725	631.0053742	949.236008	646.3963335	837.3946304	865.6908384
5.81_402.0757m/z	402.0756988	5.813733333	neg													584.0148338	797.3098701	928.8331947	959.4847606	1169.439001	1309.71329	1344.133875	275.6322586	916.0924332	1155.466128	1302.834599	1002.21	878.9199634	979.5879032	713.0897555	598.2477532	740.8097111	581.4726119	1503.438423
5.81_402.8401m/z	402.8400556	5.813733333	neg													5142.260477	5550.710536	6138.283472	262.8701681	350.2669339	191.8143754	202.2190694	31582.93547	42672.91545	203.8476709	311.4927621	6687.836364	355.3411575	334.9759403	280.6773208	289.052113	327.6086647	185.9752476	321.1131777
5.81_405.8382n	404.8368221	5.813733333	neg													1685.229337	1851.28135	1969.592361	665.9060337	366.7227453	443.1494345	684.1929251	10959.23254	15521.69067	549.8941359	364.746888	2671.278258	637.1184798	688.8557915	453.0556732	681.0079804	378.5751503	338.8402086	361.7579955
5.81_413.8392m/z	413.8392418	5.813733333	neg													3260.068882	3351.591076	3372.530128	0.000297236	7.841837883	0.000297236	0.000297236	14733.52237	18480.08965	1.84044279	0.000297236	4049.008092	1.774924449	5.698496015	0.000297236	5.322976442	2.261534391	1.158243085	0.000297236
5.81_415.8363m/z	415.8362766	5.813733333	neg													6337.03525	6121.542236	6391.506311	0.000297236	0.000297236	0.000297236	0.000297236	27505.95624	36094.17981	108.267133	0.000297236	7653.601745	0.000297236	0.000297236	0.000297236	0.000297236	47.28689382	58.66656202	47.88609714
5.81_419.8302m/z	419.830224	5.813733333	neg													2057.432066	2401.683976	2339.193265	387.3800802	252.2167005	205.474464	361.6882231	9837.135678	11065.54825	304.850722	402.5593736	2942.978631	414.485052	378.0387754	205.4406808	400.0226564	501.835788	243.1798697	186.5591206
5.81_468.8302m/z	468.8301547	5.813733333	neg													575.5159733	810.2567412	807.6857147	69.80776022	0.000297236	13.74576941	13.74143633	5058.740027	6993.023025	0.000297236	0.000297236	1009.41098	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	17.48924549	0.000297236
5.82_315.1332m/z	315.1331625	5.819883333	pos													1488.10386	1536.728702	1513.877677	1105.739221	2734.626931	1411.502534	1160.532576	937.4240541	1306.200476	1679.889454	788.3792277	1611.94458	719.2395649	551.0727423	1526.577551	1227.065965	1189.206663	1699.263627	1612.290613
5.84_1176.5869m/z	1176.586913	5.839466667	pos													3479.78855	4389.418858	3454.446808	1845.684625	5866.083816	3496.865207	5026.421997	0.000297236	0.000297236	9289.726469	4917.047867	0.000297236	4997.691415	4702.114045	6538.771598	3109.990178	2702.239494	4348.357305	5852.620676
5.84_1176.8386m/z	1176.838639	5.839466667	pos													15633.19915	19289.29493	15533.67401	11438.99401	16881.81184	22173.74887	27474.87577	2586.105744	1168.03005	41556.13822	26841.39276	3714.225848	18025.61721	23674.18252	28549.56288	19496.89294	29920.35863	9510.390702	31344.2071
5.84_1177.0893m/z	1177.089302	5.839466667	pos													19343.67555	20380.73204	19961.20484	10778.68053	17789.8511	26935.22586	28600.67358	3780.194308	2742.769964	47669.78717	18905.17886	2652.372536	16540.11589	30905.22473	20224.8111	16945.82898	24334.51909	12927.16753	29461.22238
5.84_1177.3399m/z	1177.339937	5.839466667	pos													13562.06585	13618.2246	13338.888	8904.239726	15930.31403	20166.22021	18443.58147	2726.555505	2916.163006	39835.89622	21984.74354	1773.176285	17455.26719	24576.08917	16697.12599	13694.4379	17954.97257	15310.84304	22646.44781
5.84_1177.5912m/z	1177.59121	5.839466667	pos													11728.56563	10558.90308	13644.61177	3708.982561	9223.765525	14124.72522	15728.723	1553.403908	1284.78049	24541.32387	12690.95483	0.000297236	17060.15483	13608.50174	12273.84322	6890.268261	15502.96083	9767.444074	12071.94956
5.84_158.0026m/z	158.0025669	5.839466667	pos													3472.613573	3146.064114	3211.572695	3649.880852	3410.147548	3222.357338	3456.494588	3458.891824	3536.484527	3620.191832	3451.341083	3368.298903	3537.968926	3400.388463	3732.5497	3866.717394	3495.419491	3705.72789	3321.083052
5.86_197.0809m/z	197.0809028	5.856833333	neg													319.9190453	265.9095369	270.3288288	533.7708361	358.6809267	475.3861345	396.2580879	235.6698583	183.5192691	565.8244681	259.4411525	308.2001202	288.1659212	272.7862201	452.3719935	508.0572572	465.06935	390.4558422	301.0030327
5.86_332.9217m/z	332.9217457	5.856833333	neg													1785.635176	1996.745273	2119.226182	2449.57901	2371.118909	1981.465785	2469.188532	2656.286033	2067.525346	2502.319781	2131.734936	2077.157529	2445.459547	2206.626074	1885.049314	3016.457382	2200.753404	1973.577964	2226.467291
5.86_428.9614m/z	428.9613725	5.856833333	neg													6776.644806	7668.249639	7314.228361	7987.207881	7140.376431	7800.499033	8661.185091	6940.476857	7340.45294	7561.394059	8412.841603	6419.370066	8260.184613	7780.666393	7008.498088	8584.975992	8148.593297	7606.713723	7665.49852
5.86_972.7217m/z	972.7216984	5.860016667	pos													2195.113556	2835.804248	2460.23291	2057.752221	2882.562356	2496.088499	3052.361713	5597.19119	2641.56667	1116.735681	1518.901325	4208.741576	2417.605987	1950.274077	675.3675552	2057.057297	1364.46096	1757.939551	1293.81916
5.88_512.2685m/z	512.2685058	5.878216667	neg													52761.46297	57605.38441	54821.96404	32029.4067	42409.80175	47489.33211	37092.10924	29971.01023	142364.1171	53396.29993	36177.72115	50325.71145	23855.06642	27350.32454	166143.4705	29860.60576	49309.67222	79829.24071	25950.41428
5.88_543.2812m/z	543.2812287	5.878216667	neg													861.9717286	559.8067969	952.7328898	0.000297236	0.000297236	241.4538796	87.21058604	5103.83051	3178.449311	0.000297236	80.47723599	0.000297236	0.000297236	0.000297236	2380.408218	1116.436218	1276.029673	2291.743137	0.000297236
5.90_159.1014m/z	159.1013786	5.899433333	neg													4488.849769	4500.160814	4286.484059	4797.787834	4593.009718	3307.628042	3578.382712	6579.323899	8289.5512	2763.643586	4754.864916	6021.562321	3359.019943	3916.318028	4095.197694	5375.506623	3584.326159	3568.965257	5321.865463
5.90_225.8967m/z	225.8966592	5.899433333	neg													2285.249004	2514.557367	2457.420559	2476.798997	2576.092031	2468.294473	2607.182661	2327.636136	2319.166877	2476.01923	3058.044288	2117.596231	2426.514892	2547.600785	2313.598144	2789.336256	2303.778581	2434.812662	2602.991684
5.90_264.9342m/z	264.9342024	5.899433333	neg													4546.311475	5708.698258	5123.83419	5464.338571	4843.979409	4739.811597	5731.270095	4800.250874	4784.917486	4846.275019	6110.113469	4528.220184	5301.780854	5198.623158	4574.475742	5472.985238	5200.516041	5325.826327	5193.777417
5.92_130.0858m/z	130.0858375	5.920616667	neg													478.6363884	784.9760835	792.6369638	801.7791379	664.4244915	699.4410771	702.1937377	608.3496336	580.3029551	644.3137241	763.5398892	440.0406401	637.3799611	589.3591058	579.3597987	665.7938809	791.4324533	839.2556927	980.3167895
5.92_437.2155m/z	437.2154923	5.920616667	neg													1568.916613	1906.556664	1708.178291	2970.738102	752.4235674	2399.915224	897.1048027	1417.983344	580.5074605	824.3807674	1499.570293	1391.434022	997.6641571	1364.706184	1782.244802	2301.142012	2106.768733	2855.834736	2555.605351
5.92_530.2793m/z	530.2792982	5.920616667	neg													34826.86176	37318.97261	35522.54237	7737.932452	25896.86729	27674.93282	25093.85416	89740.07863	114741.9133	23360.81996	28326.71212	103158.277	12043.83167	9478.165737	42528.62617	7121.939163	9960.738036	20238.1177	9183.121159
5.92_531.2861n	514.282773	5.919583333	pos													13153.99701	12896.42979	12105.06331	2654.540932	9135.052353	10745.91843	6451.128707	23517.71037	55552.0273	8972.105359	6936.972247	28733.82364	3818.160893	3613.505525	32652.83417	1777.331746	6830.958159	11782.96112	2970.365287
5.92_598.2669m/z	598.2669195	5.920616667	neg													4780.808583	5878.454276	5402.679089	957.5669944	3876.374111	4180.162711	3585.181433	13964.61595	18378.16173	3094.189457	3804.815916	17008.58341	1520.635125	955.4797667	6202.988734	621.7787794	837.3763167	2894.207658	893.8992729
5.92_666.2545m/z	666.2545179	5.920616667	neg													1265.097217	1818.724703	1747.539813	0.000297236	704.9875722	1161.828598	801.8306493	4235.34182	6076.00051	628.4487947	988.868891	3985.881811	242.5166826	201.7385976	1865.660627	230.5334233	161.8176743	621.4034513	129.4738024
5.94_165.0909m/z	165.0908564	5.93855	neg													262.0046614	200.0026844	216.2393056	151.6447745	199.5173904	215.0257643	249.8348815	137.5832234	183.9565238	332.9863953	295.1133728	168.0872237	178.5450314	195.1184985	147.3132665	218.2188576	176.0050734	187.7054435	126.8201612
5.95_145.0856m/z	145.0856343	5.95035	neg													435.7758331	477.6713718	432.2064089	359.7123434	279.3582276	347.2736025	331.3074762	308.0761553	360.9656214	363.5680355	464.8058515	307.6786782	536.7058255	380.3428583	327.6826061	260.6962098	365.0530738	460.0995861	384.3101245
5.95_382.9974m/z	382.9973847	5.95035	neg													575.5564568	979.5225901	861.64114	0.000297236	0.000297236	0.000297236	71.54428197	4903.622023	4170.531051	56.80129217	0.000297236	1437.236117	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
5.95_648.2437m/z	648.2437407	5.95035	neg													1513.201933	2076.560838	1724.983435	252.6683105	1017.821791	1397.227809	340.4736797	744.998699	6681.01197	1390.029172	257.5292411	1605.585286	0.000297236	370.3321765	6899.899274	257.6115681	1224.557346	2427.878208	102.9783376
5.96_171.0188m/z	171.0187955	5.96125	neg													642.7446218	532.5888475	762.492497	643.7663663	734.5666439	701.2703251	676.5586398	492.3920018	605.3895685	489.2824893	695.7291614	523.8329783	514.7801402	644.4347797	693.3622807	707.064506	718.7894581	519.8107213	665.3813271
5.96_310.2249n	333.2141799	5.959566667	pos													1963.845821	1895.300686	1589.305164	13005.45844	5029.575901	528.7394061	1056.448015	6760.633374	1382.185609	11803.60949	1126.227814	6402.832707	888.1838405	12652.56999	41265.41619	23285.06766	6185.553234	6034.273472	1114.27744
5.98_170.8697m/z	170.8696646	5.981116667	neg													1765.264319	1538.145506	1454.046191	1375.606414	1066.026842	1234.2495	1278.757895	1039.555565	1374.592496	1101.285971	1486.404451	1196.186289	1542.669353	1440.593091	1392.30744	1352.949712	1412.23068	1518.243064	1499.344537
5.98_207.6696m/z	207.6696013	5.980433333	pos													1091.757157	1154.675571	1296.481123	798.5292338	1143.062814	1797.03208	749.098684	2322.055414	2500.554539	1573.0416	820.1877447	2318.988389	1116.562098	1039.726212	1006.879613	1135.188699	1651.284979	1380.780806	1170.13417
5.98_355.2238m/z	355.2237783	5.981116667	neg													203.1134907	196.48344	136.5327148	2577.322618	847.9493671	0.000297236	186.5890871	1027.950401	162.9537044	2466.233576	65.55060225	757.7384759	78.23238271	2405.702801	7039.290363	4423.940453	1009.381651	1257.48354	147.0011049
5.99_349.0128m/z	349.0127751	5.9896	neg													2066.549753	2420.054962	2036.383977	1890.435113	1592.765012	1953.911611	1964.641464	1681.102136	1885.336053	1824.145611	2288.79782	1568.71416	1996.490118	1644.69134	1751.944647	1847.460255	1893.397226	2189.462699	2093.859991
6.00_304.8936m/z	304.8936486	5.999866667	pos													5568.309287	5045.983945	5599.264082	6055.423597	5363.93663	5617.158887	5801.473048	5333.088103	6740.347476	5942.986827	5816.981937	5741.433884	5554.870348	5729.681895	5892.394039	6490.947146	5767.054307	5652.150121	5827.174844
6.02_158.0026m/z	158.0025581	6.020833333	pos													3441.285729	3092.072746	3321.755905	3471.500895	3419.122465	3326.60466	4077.220947	3464.652333	3322.10172	3580.108959	3403.151448	3428.574532	3268.353483	3496.574825	3767.178093	3797.799881	3435.483717	3532.267209	3442.032808
6.02_364.1801m/z	364.1800752	6.01615	neg													260.7758821	252.6591052	354.2947894	101.4285184	314.2586354	680.7635779	0.000297236	1350.523455	1252.535401	435.8525055	117.113905	392.4888594	113.7946487	0.000297236	0.000297236	0.000297236	134.6299964	45.2948254	74.88215866
6.04_498.2895m/z	498.289532	6.044416667	neg													7332.30403	8142.927212	7935.914766	5589.520447	5951.069016	12391.7793	4722.118511	1203.521621	5181.20631	13275.94026	5291.498615	2802.920822	5760.889243	3868.702906	27403.31493	6137.96396	8198.517102	16436.06904	2708.370307
6.04_566.2766m/z	566.276602	6.044416667	neg													730.2060527	507.3380603	776.8285446	175.6145417	133.1098534	971.4327729	131.1443819	0.000297236	326.3181344	1382.675143	328.829421	120.9981026	317.8549556	77.80422685	3141.209776	498.0496333	945.5474128	2004.06025	219.9614322
6.07_437.2155m/z	437.215546	6.0661	neg													22140.08489	21148.80316	23577.87313	39674.61736	9953.073111	26645.52937	16720.92887	38739.23106	17726.61873	8603.877283	15403.08584	37840.391	15596.21363	28466.76662	22087.40418	23950.15599	24691.57795	30223.27825	26665.64874
6.07_454.2060m/z	454.2060281	6.0661	neg													976.7098835	824.0243717	1007.361576	2190.597064	256.2523993	1583.008148	560.9311378	1929.168009	886.8359968	0.000297236	508.3153948	2018.075789	571.3660973	1530.877018	931.551605	1090.524587	1117.726284	1352.768725	1046.067279
6.07_573.1906m/z	573.190558	6.0661	neg													3503.802736	3236.35194	3348.072659	7099.912162	1404.496118	4709.611788	2213.525584	6143.734572	3050.540693	1275.704273	2094.890442	6455.524938	2153.840495	4199.030384	3495.360841	3609.771238	3999.284545	4833.232839	3945.611851
6.08_170.8697m/z	170.869656	6.082816667	neg													1298.173021	1020.692357	1267.703842	1033.336359	1270.945478	1083.76897	1278.335539	1110.424157	1066.647371	1178.003167	1349.448663	1251.672826	1098.91364	1260.039798	1053.382149	1642.480728	1023.845629	765.9650763	1255.39379
6.08_468.8963m/z	468.8963447	6.082816667	neg													3421.120543	3432.368735	4005.065996	3794.12384	4627.216341	4190.414482	4012.172668	4018.540938	3915.587605	4181.193342	5260.651847	3418.109881	3868.233606	4137.94473	3681.71194	4887.728714	3374.86164	3198.439774	4262.150962
6.08_521.0933m/z	521.0933328	6.082816667	neg													1393.776984	1280.626682	1647.524629	1648.744167	1803.614161	1576.7781	1671.510117	1381.113674	1328.867503	1196.852163	1947.085991	1182.124223	1450.362573	1535.777137	1539.685246	1981.541171	1100.35704	1156.588346	1005.491597
6.08_641.1781m/z	641.1781432	6.082816667	neg													1500.846723	1749.843572	1784.204365	3444.316959	314.0856521	1995.420799	1388.450872	3075.939346	1085.318336	434.368637	699.2630408	2949.410334	1000.842238	2242.017461	1598.811891	1556.155656	1843.472615	2286.763286	1744.152072
6.10_264.9342m/z	264.9342097	6.102316667	neg													3187.038071	3288.476361	3523.710709	3436.63559	3839.799563	3614.089246	3802.934383	3277.301709	3468.145121	3822.617642	4031.324877	3033.882821	3018.053529	3518.042558	3451.561173	4500.429728	3078.675568	2484.673803	3611.123347
6.10_350.9282m/z	350.9281514	6.102316667	neg													3732.197271	4046.533106	3616.11916	4270.274945	3881.08927	4055.44703	4653.038562	3362.079195	3854.101872	4374.178127	4546.703287	3952.40215	3913.640337	3826.211162	3651.676552	4252.863394	3732.039113	3565.731322	3264.799559
6.10_494.2195m/z	494.2194586	6.102316667	neg													940.1784813	917.3039726	985.6086246	1931.791422	483.8657436	2174.651066	645.1724242	192.7289122	0.000297236	1012.383545	1534.850845	317.3996516	614.0990338	489.443219	1147.11788	1697.672769	1116.446589	1810.350782	1209.237715
6.10_512.2685m/z	512.2685218	6.102316667	neg													22184.46207	22215.88256	23191.53495	15493.08789	9432.484066	24347.51991	7980.747964	2355.816568	17954.32839	19120.37678	10178.73592	7610.80811	7381.107953	13175.39556	146980.0174	18019.84021	17270.86858	70358.66414	18257.54469
6.10_580.2562m/z	580.2561689	6.102316667	neg													2190.474852	3193.579053	2835.4464	1588.359059	667.9470559	3063.031041	603.9379359	102.07175	1491.521471	1939.990829	805.8441658	138.7719558	460.6791521	1172.80946	20668.82717	1877.481672	2104.156399	9723.150935	2286.694927
6.10_648.2441m/z	648.2440856	6.102316667	neg													569.6602119	727.7605638	625.2174644	235.8751517	0.000297236	859.9272406	0.000297236	0.000297236	344.7025116	339.4938061	127.6420451	0.000297236	0.000297236	0.000297236	6552.108094	155.5810539	138.7742688	2496.664789	495.7257461
6.12_185.1172m/z	185.1172153	6.1185	neg													912.3387943	765.1007738	886.7579509	901.7355614	983.7160218	920.255192	918.0990094	983.0079671	1011.419969	987.7913469	1006.328715	959.7258311	884.2625052	894.3184766	918.2555216	1023.725178	796.2083125	673.1369066	824.6096851
6.12_245.9494m/z	245.9494002	6.1185	neg													1242.770054	1122.252281	1414.836116	920.0292935	931.7451827	846.2742272	1083.810423	2960.101645	3832.123421	1032.773448	1123.454344	2156.572255	809.6927017	1056.117038	863.8270049	1183.671455	802.1852725	604.5269077	1026.135699
6.12_247.9465m/z	247.9464643	6.1185	neg													382.329301	351.2222062	454.1042508	117.6355735	55.26182101	26.0345866	58.39222806	2147.671251	2737.884752	23.65456643	0.000297236	956.1498271	82.43504357	146.3855528	101.9336194	134.8036616	97.37151827	61.24708414	105.014859
6.12_247.9639m/z	247.963885	6.121566667	pos													672.0512213	813.6804143	578.5581044	58.99886755	0.000297236	0.000297236	0.000297236	5269.707594	5522.482753	0.000297236	0.000297236	2185.216381	0.000297236	0.000297236	29.27342384	0.000297236	62.43726	0.000297236	67.56232007
6.12_249.9433m/z	249.9433448	6.1185	neg													101.5415681	83.31540205	108.7169685	22.41475306	23.71783185	0.000297236	0.000297236	693.9889391	868.2933935	0.000297236	29.05298692	287.848906	25.6988897	0.000297236	31.56544155	0.000297236	26.0039756	39.11103388	0.000297236
6.12_249.9611m/z	249.9611268	6.121566667	pos													524.3791366	657.3436835	605.2230093	170.4601491	211.8216372	190.529201	182.9252153	4983.638737	5059.196907	166.7856019	122.8313001	1960.228055	100.6632601	116.7831696	212.3337358	196.3925718	84.92320354	139.1118394	204.7885143
6.12_313.9371m/z	313.9371439	6.1185	neg													1401.069162	1433.015981	1466.537962	1287.989276	1236.853768	1103.109488	1310.043945	2857.59292	3550.335544	1318.158933	1215.396728	1850.303128	1015.494289	986.0032118	995.6668936	1605.177458	1125.717264	868.1233922	1362.226786
6.15_187.1329m/z	187.1328898	6.148066667	neg													7190.237788	7366.283048	7555.312734	7618.33399	7455.819311	7217.590892	7358.23745	6597.401193	6758.652793	7062.090928	7781.581691	7322.442025	7956.915044	8136.841575	7327.990717	7849.975395	7144.364672	7369.369885	6776.722262
6.16_1010.1772m/z	1010.177245	6.16005	pos													2766.283102	3536.960952	4132.803345	4199.115303	5405.614357	3527.027081	6442.365669	3339.442982	2649.06043	6072.628223	1742.747068	3543.299878	4519.800905	3274.987138	6157.595298	4189.181174	2388.957063	1909.828558	2349.876391
6.16_287.2211m/z	287.2210594	6.16005	pos													16636.19704	16510.48333	16591.37559	15655.49549	15582.41986	17025.01517	15698.02171	15782.31129	14946.07102	15957.50094	17057.8175	17225.20983	14595.45777	15008.817	16245.26629	15667.30163	15822.54822	16343.02306	14568.2255
6.16_757.8855m/z	757.8855162	6.16005	pos													2603.096067	1690.809574	1939.292923	346.1434875	1808.244176	1306.145103	2371.075142	1880.18422	1052.628239	1448.055324	1037.841608	2059.650639	2652.770444	904.8868421	1927.22114	1320.771843	1800.187628	0.000297236	245.1938537
6.16_758.1362m/z	758.1362484	6.16005	pos													1498.590045	2184.728243	1237.512238	418.5889141	1472.438534	861.0961646	2742.009779	1968.987647	1437.985357	1522.583632	1702.52128	1267.265753	1720.620819	483.2206584	2413.283709	1456.688794	1218.673243	561.5055745	1229.66575
6.17_294.9820m/z	294.9820395	6.17	neg													6328.348531	7150.241459	7446.395887	7123.230725	6451.546795	6256.781851	7380.996305	6380.732584	6618.724278	6986.502489	7968.680026	6683.438664	6288.881174	6597.35347	6520.568536	7295.299681	6578.205775	7472.88201	5858.669737
6.17_304.1223m/z	304.1223302	6.17	neg													248.5629862	347.1131196	279.3690398	90.4120017	223.759943	40.33457882	104.2028711	1367.289572	857.0352344	35.3897439	85.02058363	361.0281389	43.03984227	83.37398881	29.57784361	0.000297236	0.000297236	0.000297236	53.00940919
6.18_158.0026m/z	158.0025754	6.180133333	pos													2630.354926	2663.931034	2857.294122	3085.154591	2783.768976	2953.342756	2994.388883	3334.429584	2354.863498	3055.213199	3092.7708	2767.708131	2939.152249	3048.273373	3217.487114	3209.577762	3069.468525	3039.520428	2911.82038
6.18_774.6436m/z	774.6435918	6.180133333	pos													805.9305427	903.7004506	643.8202289	1925.953066	1183.907301	180.5140607	2470.875144	1160.320978	1036.48655	519.6327182	2371.998408	2081.974846	2259.437478	3066.259652	1212.10321	1601.131103	1170.992515	1467.995392	518.6657565
6.19_126.0004m/z	126.0004137	6.191266667	neg													598.2919351	493.9814035	463.2582739	488.2987206	509.1676956	458.7083908	533.6239088	563.6495099	640.0184522	574.4283914	482.9818963	603.380543	618.9842829	456.8718442	540.3640977	499.6212598	635.1851418	516.8606552	451.6245576
6.20_165.1433m/z	165.1433077	6.200083333	pos													758.4095105	831.1306555	691.2304192	672.0689308	597.5573308	581.7678699	841.9651972	211.9515965	386.7857883	478.2980101	1127.535223	656.0165924	1291.194834	1297.078149	645.5784465	610.2167391	543.7895904	466.1177276	813.7151214
6.21_145.0857m/z	145.0856524	6.2097	neg													434.5901017	444.0710798	443.3408705	529.5117071	344.0152601	460.9162796	468.6758456	370.4615306	517.7683998	519.6095307	412.9501968	474.9644541	557.5103418	470.4311196	469.0225294	402.9094981	539.7037934	477.2155299	270.2555758
6.21_173.1171m/z	173.1170943	6.2097	neg													10133.43452	10042.23398	10248.10526	10510.69606	9970.564463	9939.132098	11099.34544	9334.749638	9798.149483	10246.11055	11466.39489	10569.26402	10607.77341	10625.21591	10302.85616	11690.48524	10155.64467	10367.72897	9804.416286
6.23_170.8697m/z	170.8696528	6.228083333	neg													1078.530573	814.6070279	879.1288605	944.7327747	744.7332681	946.3172691	974.4623194	605.8525841	869.1737052	1158.738643	890.6414702	1074.993821	1126.322142	905.5919214	911.8107699	791.2398455	1155.914717	961.3650531	482.6394604
6.23_296.1478m/z	296.1477857	6.228083333	neg													531.3711194	640.6709943	436.1988558	568.2387706	579.5225715	452.1888556	687.5880609	640.672382	445.0639566	875.5931863	512.5838001	504.8796262	705.5767736	390.0463245	455.9162041	415.2143456	478.4323525	330.6404469	553.1317449
6.24_211.1690m/z	211.1689609	6.24025	pos													3198.584576	3275.741317	3268.542389	2871.3292	3840.342817	2495.357996	4461.993542	4289.519899	2912.977648	3814.352411	2973.996758	3160.756343	3411.937358	3686.02083	2602.453957	2610.838361	2869.90107	2817.633426	3242.330756
6.24_313.1192m/z	313.1192375	6.243066667	neg													2062.828988	1949.541375	2271.370068	1412.993299	4027.456428	2903.687419	1689.600917	972.5174307	1532.025639	3510.64062	1462.310937	2480.675183	1366.625795	1013.179991	1947.049423	2505.363435	1792.665664	2670.002293	2135.300029
6.26_110.5187m/z	110.5187297	6.261333333	pos													20607.95947	22639.39116	22816.23923	22583.33762	20336.52871	20950.91334	20586.1629	19959.58224	19223.97527	20367.84338	21241.6221	22622.18485	22995.20921	23093.62295	23228.11628	24041.8114	22630.34701	24153.81089	22211.47337
6.26_116.5241m/z	116.5241425	6.261333333	pos													560.2079341	583.3976635	559.1645518	500.0091989	468.0965586	476.2949873	535.9583436	513.3720904	487.2124002	516.7470025	505.4529943	590.7004374	538.3473066	555.5061018	471.8584565	478.3330186	526.400343	562.7414529	548.3637978
6.26_223.1490m/z	223.14904	6.261333333	pos													418.1052021	305.5848123	416.3568108	521.948907	362.4290329	455.3211457	298.6034044	425.6217521	347.8086471	380.4345513	318.4538146	233.2658451	182.0855631	425.1876512	417.7716938	297.5881872	286.6590946	366.5995393	348.3510656
6.28_305.1854m/z	305.1853795	6.2817	pos													1339.60801	1526.542351	1630.886118	2634.23405	293.4179478	1393.236063	2465.820121	477.7190625	562.0002199	1186.672588	2038.915602	489.4537141	1689.341814	2677.65218	2035.617954	2062.078521	2997.529869	2888.969307	1311.687303
6.28_428.9613m/z	428.9613324	6.28115	neg													5117.060921	5210.656459	5768.547541	5002.054212	4662.923846	4764.147563	5720.992635	4815.190761	4898.491281	5485.346824	6303.967625	5485.32951	4907.217252	5300.492684	4814.037605	5748.296764	4592.681272	6023.603112	4193.513758
6.28_444.8904m/z	444.8903993	6.28115	neg													3577.454576	3935.950672	3809.36693	3708.372143	3177.599644	4485.82835	3852.330631	3338.370414	3515.422172	3523.468824	5006.980231	3685.927573	3079.773411	3709.008213	3481.338703	4366.863402	3204.55347	4379.06055	2394.510871
6.28_889.8011m/z	889.8011321	6.2817	pos													3211.327546	3881.710245	3514.736764	4571.485466	2223.688784	2963.500325	5080.497154	4540.735104	5941.211516	3542.973283	4737.232888	4885.652203	5066.913465	3431.827618	1899.275275	2819.728192	4351.778562	1954.064223	2816.766639
6.28_890.1354m/z	890.1353553	6.2817	pos													2503.218568	4128.685283	2882.652878	3772.816245	3913.618245	2706.553245	5676.992334	5862.134707	5796.688735	1751.083052	5900.266227	3648.361416	4720.249381	3653.483767	1858.665474	2129.144112	3688.435001	3137.630362	1557.644187
6.30_158.0026m/z	158.0025635	6.3019	pos													2067.442101	1802.81435	1885.461237	1948.852104	1836.310926	1977.704738	1867.075443	1785.289956	1927.032944	2018.19592	2026.470424	1915.834335	1926.477467	1923.602453	2057.477503	2036.781098	2194.560896	2155.079791	1943.638758
6.30_176.9716m/z	176.9716187	6.3019	pos													2078.941848	1944.061529	1892.710804	2279.235009	1919.401131	1967.786436	2137.651292	2027.147568	1816.058978	1876.263194	2147.813579	2182.995627	2306.854733	2223.074925	2432.880307	2298.985837	2037.521832	2148.349179	2279.178144
6.30_230.1339n	248.1674589	6.3019	pos													25620.99519	25613.95388	25836.74375	23598.41467	25168.22118	17391.83903	24063.96596	47120.62143	33660.42107	16447.78895	24022.49983	29865.12373	20754.27475	28828.01463	31725.48097	18803.37141	25474.80033	20676.68315	24594.09419
6.31_246.1530m/z	246.1529797	6.3092	neg													2090.551694	2427.792517	2152.867199	2083.796208	2639.637174	1699.547643	2105.428315	3974.870982	3275.064226	1539.79699	2989.459467	2681.885743	2184.475292	3018.102562	3032.773714	1779.324013	2239.792255	1968.963162	1850.176794
6.31_382.1282m/z	382.1282471	6.3092	neg													510.7004458	508.0106822	552.4063416	413.6577083	528.8510708	292.4074855	410.4006571	958.7966415	967.5646113	465.1901845	716.2663879	593.9145824	566.564532	629.8574	849.077506	479.7989638	552.040388	419.4421788	501.923731
6.32_198.1253n	199.1322227	6.321883333	pos													5004.873459	5122.084185	4914.140346	5153.631325	4413.68218	4772.832052	4704.92919	4572.591608	4711.571442	4635.886121	4914.123153	5330.479105	4803.355552	4870.27127	4889.292922	5226.020961	5125.18282	4873.019182	4748.307463
6.33_198.1125m/z	198.1125147	6.3273	neg													300.3714795	295.6554485	264.8527308	166.8917122	345.5107726	375.5812749	164.3885184	238.2344583	501.4710992	284.0093212	532.2766031	223.2713132	219.4635667	479.6560346	289.5828341	382.5986798	272.5980626	203.207113	271.6518032
6.34_202.9509m/z	202.9509082	6.341866667	pos													2844.069589	3118.740198	2723.245836	2989.955349	2774.227222	2705.959043	2701.874148	2365.053231	2605.952564	2845.713771	2826.236875	3033.07648	2870.502677	2782.127025	2847.048715	3144.105622	2761.499357	3039.423919	2582.044562
6.35_176.9610m/z	176.9610257	6.347283333	neg													1740.930772	1960.337933	2054.55027	1690.447472	2000.562612	1604.330758	2155.248377	1729.093925	1914.839119	1700.859092	2276.705974	2065.918051	1557.485975	1945.86066	1967.58973	2231.492073	1758.408722	2432.568976	1629.57072
6.36_498.2896m/z	498.2896163	6.356933333	neg													1535.456627	1639.574428	1780.108425	1280.586966	2496.482752	1125.547948	1328.780927	578.6574327	884.1129083	1088.378112	1615.210907	733.9396426	2528.096977	1245.501464	4029.256187	1418.975256	2145.388873	2121.862054	1728.656743
6.37_332.9219m/z	332.9218729	6.365433333	neg													3008.742493	3170.269547	2904.266754	2619.464188	2461.21613	2468.052749	2780.202813	2817.292839	2985.327007	2802.337608	3406.949078	2739.796644	2288.063719	2624.047068	2128.324399	2753.669579	2574.077791	2707.505762	2561.342666
6.40_170.8696m/z	170.8696498	6.404283333	neg													868.8709841	977.2539863	839.1854573	1020.622281	919.9457625	732.9443701	992.8748895	832.7586494	744.2807742	839.520947	695.3095762	1054.507305	800.7074645	1079.26071	901.2324001	754.4301697	897.8369151	964.1940412	929.9574171
6.40_232.1362m/z	232.1361904	6.4012	pos													4156.371196	5455.82765	4886.968295	2453.767286	5397.022127	4096.562924	4968.17995	5162.868888	9010.319968	4887.76459	2952.892296	4176.53336	5520.154267	6293.360008	3803.90606	4500.598992	4366.744021	2415.289017	2873.323231
6.40_425.1641m/z	425.1640957	6.404283333	neg													9969.368023	9743.572834	9936.131358	11061.67992	5224.084995	15714.57337	11340.09694	12034.26632	3575.226793	11013.47913	13148.79301	4774.371151	5294.898546	8812.801854	11891.08471	11920.23985	13263.15093	10693.4618	6056.449112
6.43_316.1222m/z	316.1222338	6.42565	neg													560.7519033	743.3473247	456.4438196	1302.410226	614.6486067	202.4527991	788.3410609	321.8149936	207.0925863	796.2845942	355.2245641	89.39722236	1378.460439	1130.581612	1033.485036	427.8702657	547.9250139	262.4695934	1757.643237
6.46_198.1125m/z	198.1125467	6.461933333	neg													446.7646113	554.1326635	542.8840771	260.7986841	642.0068712	689.1084168	266.3010971	414.3760801	727.2235814	598.9966437	458.589573	427.8035344	511.080063	723.5149262	504.730568	569.4799685	572.972807	442.3759704	591.9880763
6.46_200.1278m/z	200.1277764	6.46085	pos													623.1538356	545.1373568	583.9259319	448.3569284	790.2617944	512.6636717	456.3644869	463.8314578	754.5816304	713.5350352	617.5374262	480.3139293	672.4186815	716.0857503	509.1186003	737.9601325	640.5593466	424.5546911	674.774267
6.46_220.6774m/z	220.6773783	6.46085	pos													512.1111324	570.7418159	521.1730042	522.8311165	266.2230115	331.3193507	325.3006735	724.1748058	964.7456025	312.4726129	458.0923966	958.0741685	262.1445045	305.8600638	976.4094763	693.0320579	934.2926674	1150.048459	202.3518408
6.46_512.2685m/z	512.268503	6.461933333	neg													60465.09321	68228.48677	69975.69415	17727.58563	40343.29841	45264.55019	21806.33988	130768.3463	442516.3444	58050.03006	20339.40456	144966.7527	18199.55613	18218.82481	62199.5667	17807.319	31590.08339	34119.03684	14710.63943
6.46_570.2272m/z	570.2271972	6.461933333	neg													299.3296807	233.7975524	273.322621	0.000297236	0.000297236	102.8262517	0.000297236	715.8107395	3185.430137	117.2152283	0.000297236	526.6045489	0.000297236	0.000297236	133.5989926	0.000297236	0.000297236	0.000297236	0.000297236
6.46_648.2437m/z	648.2436544	6.461933333	neg													3320.48614	3576.698148	3417.218987	584.3471241	1796.591171	1967.361912	966.3294794	7889.294898	26994.54828	2637.16771	850.7485916	8071.854559	556.2832049	808.1907324	2189.106445	439.7852826	960.1230985	1531.315708	659.4678402
6.46_714.8441m/z	714.8440842	6.461933333	neg													7516.569346	9369.361955	9257.352937	8115.397894	7317.94475	7652.444642	9867.08213	7481.0659	7711.508396	7878.247764	8804.112272	7378.402452	7611.112103	7931.878081	7391.867722	8159.699843	6844.525196	7233.651429	7638.337712
6.46_716.2311m/z	716.2310646	6.461933333	neg													1028.791156	1106.461236	1315.465139	0.000297236	338.0069531	777.5645056	172.2878208	2479.794706	10293.74415	650.9164704	203.0834653	3281.794219	181.9264576	0.000297236	843.7226333	137.954186	192.717149	310.7759771	0.000297236
6.48_437.2155m/z	437.2154705	6.4798	neg													7342.310478	7065.843047	7251.232105	11515.84587	3583.348388	10311.43912	4882.058325	4252.120531	2043.539708	4099.564406	5609.925159	6823.33673	4948.486929	5255.336234	7371.223485	6786.482753	9203.610119	12256.20911	10301.52678
6.50_159.1014m/z	159.1013719	6.49905	neg													1210.889902	1259.412823	1315.882814	1062.727584	1174.090316	1197.211603	1201.4237	1219.717954	1194.992676	1178.330548	1332.621635	1411.018246	1260.79682	1219.867098	1089.166796	1085.362423	1061.521896	1021.062218	1088.892733
6.50_324.2407n	347.2299234	6.502633333	pos													22836.04733	20189.1348	20369.20377	135738.1294	58462.38046	8933.381668	19403.74762	73347.68455	21361.12789	123833.7716	21794.06242	62309.29638	14041.30966	102002.3304	350156.7322	201668.7862	54524.74451	67896.95994	17486.72337
6.51_530.2792m/z	530.2791808	6.51055	neg													834.4984017	649.988899	760.3522112	58.25520748	542.9087368	639.0773976	286.5178523	3627.46892	5828.94211	183.6995237	203.3788108	2293.327711	16.19172576	23.8045925	1139.588415	33.70384954	0.000297236	302.0721668	73.68938067
6.52_223.1325m/z	223.1324883	6.522933333	pos													5613.437643	5618.955257	5846.090392	6159.438673	5974.228754	6384.845596	5882.197957	4810.961036	5483.643325	6528.785249	6292.455017	5855.384191	6098.416741	6480.530502	5452.24668	5586.104591	5527.3499	6108.743445	6010.531853
6.54_158.0026m/z	158.0025787	6.5431	pos													1891.9123	1728.401953	1897.591053	1970.258768	1911.070158	1941.682619	2071.705207	2074.33576	1980.726664	2093.151073	2020.545691	1782.773303	1924.28977	2046.250086	2259.074093	2024.035778	2034.88502	2041.456132	1927.203225
6.54_170.8696m/z	170.8696032	6.54035	neg													847.3056134	637.8191787	646.4602521	564.5500737	449.4916021	651.9441286	484.8286611	532.4718497	674.598332	331.9317475	622.8154819	539.3663231	700.6706148	529.4176054	586.8934071	575.8207334	529.4953765	547.8741306	618.3989128
6.54_264.9342m/z	264.9342339	6.54035	neg													2279.024917	2690.135854	2495.432022	2291.099222	2020.173181	2013.914187	2538.91429	2288.27132	2212.075006	1803.050168	3229.884208	2044.781067	2158.130873	2171.189338	2218.373693	2178.092125	1618.683874	1964.910795	2403.715226
6.54_288.1621m/z	288.162085	6.5431	pos													1406.157383	1135.171173	1374.915045	604.0784507	1981.525212	1333.039397	1575.325525	106.7736387	111.4987113	1625.136829	1033.491974	217.1447213	1225.524754	1057.558334	1029.871535	1477.169379	999.6102076	560.8625708	962.8280366
6.54_303.0074m/z	303.0074181	6.54035	neg													915.5824215	804.8572625	787.193123	745.2425537	774.4914538	710.6830978	822.672879	670.7830924	747.8461992	620.2287357	941.0538554	762.6443296	699.812872	672.7874988	677.3875844	683.7164326	727.8824372	602.3399335	695.4509459
6.54_304.0028m/z	304.002759	6.54035	neg													483.295559	512.9734031	581.6701052	364.7389096	405.3512581	270.3393867	376.2211884	1222.300438	1874.837742	141.5682786	324.6580648	543.0100751	317.8548495	257.0511954	282.1912791	330.99962	316.1539265	282.2896437	422.7280871
6.54_332.9219m/z	332.921868	6.54035	neg													5172.373789	5924.023725	6099.610993	5633.167024	5359.519656	5451.013119	6014.807122	5725.533191	5746.253406	5526.252556	6365.502546	5349.130891	5539.170728	5717.956884	4753.831366	6230.436565	4778.815988	4732.754026	4918.989304
6.54_428.9614m/z	428.9613943	6.54035	neg													4486.422452	5615.821784	5199.193643	5408.146618	4784.346634	5197.112649	6332.298649	4932.608121	4525.753467	5574.019633	6042.540088	4677.248891	5597.713922	4959.935599	4832.786759	5180.628252	4598.78864	4055.309092	5019.852371
6.54_464.2824m/z	464.2823505	6.5431	pos													1192.095053	1120.797039	843.5625305	408.3560859	668.1906788	685.4326105	165.9584412	0.000297236	828.0036125	499.6320638	354.362715	140.5100447	291.2278669	264.6470802	11637.62585	211.8843313	1070.110985	2954.225623	137.5726796
6.54_570.3402n	615.3385252	6.54035	neg													3932.733502	5139.879692	4840.659531	5510.421124	1268.116436	2165.45831	1346.07145	0.000297236	0.000297236	13148.33835	2074.704085	0.000297236	2181.893623	7056.794132	7456.046391	3810.409457	5765.828652	10579.62129	2490.095658
6.55_521.2391m/z	521.239124	6.550633333	neg													548.5190016	383.0491986	462.8447995	463.7807235	0.000297236	779.72189	383.0966021	0.000297236	0.000297236	174.8189704	1337.047155	0.000297236	223.3080813	632.0096579	410.4451921	603.9515259	960.2854777	1176.16688	0.000297236
6.55_615.8422m/z	615.8422183	6.550633333	neg													2946.422283	2650.869522	2176.089925	2238.231261	2170.845758	2372.470858	2273.651615	1968.17067	2721.756023	1979.025781	2541.643056	2447.017024	2160.252069	1514.225901	1929.996425	2163.836444	2071.298964	2014.848937	2809.149396
6.57_246.9446m/z	246.9445513	6.565933333	neg													2065.96538	2194.864341	1834.563341	2111.767709	1601.641504	1853.807786	2060.743885	1862.754212	1740.464184	1868.763616	2316.892737	2021.546124	1913.82062	1810.078015	1504.955109	1989.814549	1476.046828	1889.084255	1861.0891
6.57_294.9821m/z	294.9820541	6.565933333	neg													2922.437715	3369.885931	3007.84886	3010.103471	2946.210791	2781.543599	3159.387631	2610.063204	3063.932091	2772.308697	3588.46835	2913.725054	2638.401498	2945.398737	2640.608573	3176.671689	2558.340512	2823.464517	3056.282543
6.58_152.0163m/z	152.016279	6.583466667	pos													1436.751516	1377.308722	1707.543189	1569.407236	1511.95828	1402.352315	1405.812615	1355.076209	1363.516444	1862.435847	1658.171519	1606.401758	1611.883133	1424.556037	1451.379153	1322.244259	1425.893927	1518.367653	1430.9787
6.58_247.9464m/z	247.9464422	6.582833333	neg													733.838061	737.9025453	686.0410884	118.1936976	22.16996099	26.33368593	58.06743134	4162.715714	4809.309925	57.45754441	44.46459764	2488.41472	129.5830886	201.4069885	98.84636514	151.8600853	89.43382045	109.6643201	175.7498448
6.58_247.9638m/z	247.963833	6.583466667	pos													1086.006711	1112.054978	1231.414806	0.000297236	47.69109526	0.000297236	0.000297236	7345.88394	7319.729376	0.000297236	0.000297236	3485.29483	42.5811814	24.6121586	26.71415511	48.11630073	40.57793794	0.000297236	0.000297236
6.58_249.9610m/z	249.9609968	6.583466667	pos													744.2019551	1151.693093	876.1598748	90.23098583	145.1998839	83.49086839	121.0449878	6696.968002	7135.546477	142.3061251	32.11392335	2912.533971	70.91399232	103.1203348	131.9385022	61.50972301	53.14881608	150.3640597	54.79807526
6.58_251.9580m/z	251.957976	6.583466667	pos													214.0924871	256.6286368	351.0217715	54.26478558	0.005331038	0.000297236	0.000297236	2163.345287	2459.385751	0.000297236	0.000297236	1043.335779	59.27177427	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
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6.64_479.2699n	480.2773359	6.644783333	pos													26490.55965	26842.3131	24792.28876	6652.866377	17489.70371	22363.76205	7675.980426	20546.99521	56260.91827	18966.48327	7625.598077	16687.48111	9104.93224	7637.205618	177470.8925	5833.337053	18134.50419	45954.91467	7189.881133
6.64_515.2913n	514.2840496	6.640966667	neg													606445.8387	633300.6145	630137.3936	187840.9777	421591.8595	612015.6805	271033.6227	504320.5532	1384351.601	522020.1788	267407.6056	445024.0815	241546.349	234111.363	3796673.122	202365.7133	425085.4883	1014548.665	267805.3453
6.64_560.2623m/z	560.2622634	6.644783333	pos													19614.33116	20034.47108	18863.15966	4352.068736	12995.46062	16829.95082	5734.909488	14357.3048	40393.0682	13808.76034	5890.157554	13918.35472	6774.147279	5819.561257	113003.3331	4191.818631	13415.14431	31223.1129	6480.466161
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6.64_614.2086m/z	614.2085593	6.640966667	neg													3189.451113	2530.817616	2649.570859	571.0639722	1430.751217	2335.276597	545.8496776	2416.591901	6161.503979	2130.249342	606.3360791	1607.400156	771.5476296	660.4979227	21196.11342	290.276029	2023.774053	5528.636432	713.2405137
6.64_640.2302m/z	640.2301748	6.640966667	neg													3374.014484	3153.415747	4210.248556	621.4013519	2191.94851	3488.004121	1082.455476	2728.340768	7427.259001	2181.664846	796.3880931	2034.661813	731.910668	767.1821453	25084.58163	498.5146225	1949.518553	5940.380581	569.6934009
6.64_650.2594m/z	650.2593856	6.640966667	neg													36534.53444	36066.28749	37898.85185	9355.629034	24915.16845	37340.53748	14159.12661	30266.37503	78424.46602	30143.18549	14482.00878	24426.39773	12577.54245	11485.56297	225808.0303	11143.41018	25776.5256	60379.99823	13903.83712
6.64_708.2180m/z	708.2180107	6.640966667	neg													1685.191762	1846.836173	1748.033705	115.9527688	761.0549908	1485.09705	171.1876395	1312.147749	3921.8384	784.44236	158.0115258	936.2821553	297.1943018	468.3564358	12734.65042	133.755728	720.6445305	3261.185875	585.7781256
6.64_718.2468m/z	718.2467521	6.640966667	neg													15498.61032	15955.78231	16585.91123	3534.360734	10456.24644	14092.80184	5125.351535	12037.8121	33868.14637	13648.43054	5419.378319	9707.918349	5186.306396	4903.489777	93660.11722	3702.042172	10078.03129	25523.71082	5742.586674
6.64_732.6265m/z	732.6265257	6.644783333	pos													7352.812753	4721.420389	5686.520991	3942.485713	5310.480621	8498.356991	5586.513226	8604.00662	5438.000624	6449.464584	4176.507513	4678.677259	2890.003298	2925.202379	5032.081875	3206.567303	6091.444837	4108.847106	3253.936497
6.64_786.2341m/z	786.2340834	6.640966667	neg													6460.786717	7359.524852	7978.526624	1490.396899	4848.115035	6929.080911	2008.87885	5199.906502	16190.46832	5187.506474	2511.293848	4366.028209	2206.740898	1556.753744	46889.04916	1109.226606	4854.600019	11959.74392	2196.335999
6.64_796.1890m/z	796.1889859	6.640966667	neg													378.8817969	534.0094786	344.4462891	0.000297236	422.8228638	510.2307128	0.000297236	469.757855	1636.48326	237.3996333	0.000297236	0.000297236	0.000297236	0.000297236	5509.823831	0.000297236	0.000297236	955.9327245	0.000297236
6.64_799.2277m/z	799.2277336	6.644783333	pos													42372.28475	35582.33036	44560.73659	36064.23306	38905.36318	55047.9012	52498.66483	64790.24732	64670.69328	63097.87893	51535.34346	63202.10792	33332.2704	45733.87729	31712.47231	46126.48621	39213.41723	42455.34258	40892.66015
6.64_854.2212m/z	854.2212054	6.640966667	neg													3804.647832	4162.020245	3393.079697	215.124813	1761.421418	3378.221874	776.7683396	2563.258387	7028.755997	2082.636574	1199.847853	1863.00164	538.6713937	925.5779102	24563.90336	319.3248973	2187.417113	6959.543651	1548.758671
6.64_990.9469m/z	990.9469436	6.644783333	pos													8000.099711	4537.121403	7783.715942	8411.424996	7527.951657	5327.983886	4784.97	9199.910805	14231.67746	10996.36394	7777.129466	12839.78369	8961.27032	10675.24612	6232.193435	6613.948833	8838.144176	9380.991737	4104.741546
6.67_1075.3208n	1098.310037	6.665916667	pos													168056.1085	178135.1102	171016.0931	149626.5637	192494.1738	200882.2191	181328.2854	262182.2929	255190.8125	261569.7741	224175.7975	265942.0806	177496.0587	178488.7796	136624.9552	191679.1177	147100.2828	165935.6288	163756.9995
6.67_1075.4460n	1098.435198	6.665916667	pos													142181.0708	139976.1102	158507.8934	123431.0199	151164.188	176469.9623	147412.0918	236285.5412	196018.025	197969.2582	170760.8935	199103.0985	141754.2101	137586.9165	109205.6853	151774.1905	114369.3517	143006.0754	130605.3795
6.67_1075.5711n	1098.560287	6.665916667	pos													103771.8829	112762.4925	99355.45491	84590.53503	96327.86701	126794.5577	103598.7838	152768.2628	155350.5471	137606.0714	118768.0607	152503.7231	94066.40278	99864.95894	73814.72006	105561.9219	80224.08332	104326.6282	87719.91145
6.67_1096.8021n	1097.809422	6.665916667	pos													131568.8676	130003.9545	115926.6509	110527.1748	128491.9301	146987.3158	132732.2914	204045.8974	176742.1568	180901.3223	158628.7257	179991.5058	115490.6665	134371.5975	82370.06988	132438.4997	101326.408	110162.8233	116694.2724
6.67_1096.9271n	1097.934402	6.665916667	pos													163875.7762	172348.3608	163658.2945	143840.0781	180697.3461	209862.4991	180916.2419	263134.8388	257595.9073	218139.7024	208315.1559	242334.5493	174507.7892	164806.9935	115892.3842	166647.6999	142083.6401	167318.3057	154369.931
6.67_1097.1775n	1098.184753	6.665916667	pos													212285.8804	204191.4725	217346.9439	162644.28	223410.5062	221397.1393	194623.5016	295375.875	282011.7454	271512.037	235966.8636	277218.5227	209884.9777	194324.1174	143187.1302	205639.7839	172938.5594	202099.5546	177046.8457
6.67_1098.0596m/z	1098.059566	6.665916667	pos													193574.3944	202513.242	210738.1643	169149.968	212982.3152	244033.068	210530.5259	314702.9487	300895.1012	273847.8293	214561.4	295822.0328	197611.3224	196419.8831	164217.2113	215751.39	186732.746	191650.7308	176339.4418
6.67_732.2919m/z	732.2919472	6.665916667	pos													3807.302154	3443.320854	5710.091866	5472.965873	4424.964605	3992.706808	5535.994293	9538.660944	8615.893895	6978.631	4560.902736	6783.622048	4827.450626	5927.080723	4633.726748	5521.423647	4918.588754	3776.475823	4791.929212
6.67_732.4597m/z	732.4596907	6.665916667	pos													8264.110098	7899.570952	4700.047302	3671.052775	6911.782737	5133.99063	7038.856415	7728.443778	10366.83734	5561.378071	6004.709946	5916.851763	5919.415382	6742.237812	2092.868064	3646.154884	4339.196338	3731.917091	5994.314256
6.67_798.6819m/z	798.6818611	6.665916667	pos													46394.8964	53696.18336	48111.62773	40233.78072	49641.41837	67717.80738	48117.31571	84183.34508	83462.05011	74931.6281	56378.84505	81578.5531	50274.03641	63089.76837	40921.55444	50411.43651	44552.42484	55128.41868	45925.74068
6.67_798.7726m/z	798.7725971	6.665916667	pos													86501.92642	96394.62407	90954.28966	78050.2172	92389.62747	96760.18914	91429.52779	139659.8765	149959.7149	127564.678	112295.4099	137227.1337	95853.64866	87097.75266	65661.39132	92833.95615	70221.95228	85575.86073	71748.65286
6.67_798.8638m/z	798.8637783	6.665916667	pos													113337.3989	99482.75167	103905.3395	89573.93692	105840.6762	126092.6527	97939.14158	151970.3503	172016.4123	157899.0423	128402.7164	166132.0737	97705.34902	106280.5632	80367.60875	108656.5222	83144.07695	99269.01986	98566.34912
6.67_798.9548m/z	798.9548091	6.665916667	pos													116873.9934	124682.5215	115549.8532	92974.51974	120047.8559	135252.3039	124692.8179	168970.8459	176533.87	177061.4289	139811.3205	161343.5801	118475.9576	124036.9265	90928.11067	124864.5509	103878.0273	119143.4159	102276.8751
6.67_878.5492m/z	878.5491919	6.665916667	pos													156242.191	146613.2225	140432.8271	116050.0144	141843.5914	175179.7106	151658.8707	216455.2366	219053.0065	189901.9252	161100.21	185943.5441	133164.0021	134068.6948	104553.5594	144674.798	121273.0481	137136.2544	130272.0705
6.67_878.6493m/z	878.649344	6.665916667	pos													163208.5403	179444.1099	147435.2659	138229.7866	181763.5962	183048.7535	149213.5228	254042.3818	246011.803	241610.4368	182249.3321	233922.7493	154866.584	155836.7665	129903.2126	176594.0221	132256.0131	157450.519	146675.1008
6.67_878.7494m/z	878.749408	6.665916667	pos													178402.818	188595.6202	175028.3182	159307.5929	187301.7656	203815.4574	191730.6869	285464.48	250244.1659	248691.4506	213942.1344	271057.3796	192306.0537	179287.3084	144914.9805	176912.0165	153707.8907	166162.0316	164327.011
6.67_878.8494m/z	878.849413	6.665916667	pos													132480.9001	146956.0357	122755.5758	111987.0366	131745.3119	174465.7666	136034.5999	215936.367	215661.5905	189659.2196	155063.9597	218218.415	148420.3529	146057.0901	111061.9233	134754.7228	125529.6605	123490.7748	123281.8142
6.67_878.9496m/z	878.9495524	6.665916667	pos													84302.39526	100502.4837	84725.95652	74289.44892	92738.25031	91622.12072	92686.81423	146830.3471	134433.0113	120379.0892	103762.5056	145287.182	96767.68346	83877.51373	76369.73422	76391.37509	69900.10008	82695.04894	78457.66523
6.67_879.3503m/z	879.3503443	6.665916667	pos													12086.53215	12743.61627	10873.22874	11413.29914	16847.44068	18648.83733	17357.86218	23859.38161	22333.25344	19166.83665	18326.84363	16964.63866	14195.56812	12493.83297	11104.69356	13947.42018	11425.69608	11756.66559	14342.76487
6.67_975.8312m/z	975.8312453	6.665916667	pos													34998.14098	27598.84504	30629.63387	23385.62367	31554.30597	32368.15992	29948.1704	40350.17781	45952.08707	49120.24995	39818.61015	42268.58672	23952.80898	30013.53305	25635.78693	28348.32411	27690.59969	37367.73328	27874.71843
6.67_975.9427m/z	975.9426975	6.665916667	pos													106848.3293	104658.3051	101870.0271	71448.69506	97863.10328	97954.83445	92127.67532	131808.8438	128720.9826	121960.5489	104745.5589	132855.4848	91720.15691	81010.45338	65832.43164	94431.64312	78709.17984	87557.6495	69647.13311
6.67_976.0539m/z	976.0538905	6.665916667	pos													136282.0295	138101.95	126776.526	112273.3504	147919.3083	164800.8089	130212.7944	213109.3629	212786.6699	192428.2864	158322.6108	202957.688	123961.2796	140675.3367	101771.7032	155496.0645	125995.4827	141293.0489	109458.8195
6.67_976.2763m/z	976.2762517	6.665916667	pos													193794.7475	181967.2743	176473.5667	151302.6104	182183.6423	200836.4842	145547.4252	262294.3084	252893.6118	254217.5546	208210.9011	246022.6663	177972.9578	176783.5614	135672.1762	166284.8883	150724.7097	156771.0182	150477.4996
6.67_976.3875m/z	976.3874917	6.665916667	pos													166307.8615	158048.3797	157680.8088	136478.8254	161312.8611	200803.2829	160888.9734	233278.6453	237280.882	217302.6859	195366.7477	243149.0929	166806.7223	165208.801	121595.9333	158431.523	144553.654	158751.1304	151799.9559
6.67_976.4989m/z	976.4988581	6.665916667	pos													125705.1886	101285.5802	116389.384	97082.71559	130309.5837	140146.6753	118334.4495	184658.0939	157160.1516	154981.9797	132264.9535	162693.1281	128191.4016	110884.5002	101227.8093	129689.0912	92936.85037	109284.9946	104984.4283
6.67_976.6101m/z	976.6101417	6.665916667	pos													83313.51094	82046.59166	88760.6478	77159.01964	99150.01302	82309.27612	85066.36484	136456.121	121170.4388	110808.4606	90102.35456	115046.4828	71175.41431	82245.28526	66131.05656	78810.21124	50394.65059	65033.3979	82545.41819
6.67_976.7214m/z	976.7214385	6.665916667	pos													50646.05601	44892.31971	41573.31452	47821.0655	45854.84421	61714.8744	45324.46011	71461.51934	65323.19597	63635.2072	62099.25928	66254.11424	46185.3628	56415.26543	42414.66987	57334.6707	39985.61547	48092.38778	38618.39142
6.68_170.8696m/z	170.8696092	6.682883333	neg													2563.016834	1728.612504	2297.77597	2009.857382	1999.959724	1791.17057	2124.593778	1903.302183	2187.079333	1944.720101	2262.586865	2021.832617	2631.458681	2183.872778	2542.467904	2335.739443	2196.735391	2168.362222	1847.036154
6.68_248.9182n	247.9108957	6.682883333	neg													2558.47957	2545.136736	2669.715198	0.000297236	0.000297236	0.66529805	3.796741799	19091.68355	27436.30472	0.000297236	0.000297236	3919.104854	0.871625122	0.712678911	0.000297236	0.000297236	0.000297236	0.000297236	0.000297236
6.68_250.9151n	249.9078355	6.682883333	neg													2829.139417	2644.704531	2776.395321	0.000297236	41.27386408	11.97577785	0.000297236	19428.78669	28259.98762	10.44094542	0.000297236	3840.155515	16.34856841	25.49965044	27.76858638	42.59776945	19.26214387	11.6675853	12.7761777
6.68_251.9048m/z	251.9048192	6.682883333	neg													900.0053344	849.9752299	850.2615797	30.89489445	12.07498973	53.79000142	25.80385948	5943.437873	9278.730337	52.31129886	35.62053766	1257.103166	25.99759719	20.71540828	22.52393645	24.30927967	43.16683027	35.32360748	31.83986721
6.68_268.1165m/z	268.1165105	6.682883333	neg													1416.095697	1453.045942	1414.107327	1222.042797	1740.623517	1319.959657	1128.827015	1135.065618	2206.701231	1640.925827	1912.512514	1590.566063	1321.056286	1309.943298	1293.661451	2513.238837	1290.112992	1272.765167	2250.011305
6.68_332.8887m/z	332.8886898	6.682883333	neg													873.0671054	704.7875653	775.2641694	29.93383606	0.000297236	27.28400855	41.88579342	6332.137561	9767.202188	66.53893704	0.000297236	1403.883408	28.32536036	0.000297236	0.000297236	78.86993313	90.6073407	47.41397713	20.62383233
6.68_334.8859m/z	334.8859206	6.682883333	neg													724.2318272	863.8857322	828.3200585	115.5244979	75.40323732	79.74234648	121.2273148	6207.57453	9815.420997	105.0312744	0.000297236	1380.274942	123.335903	100.8887423	24.91043073	112.2420411	212.856071	123.9769515	63.8443379
6.68_336.1041m/z	336.1041043	6.682883333	neg													516.0218986	612.1392844	529.0274282	505.5233902	706.84149	501.1916852	514.4445628	551.8211802	1037.946413	718.4392657	766.8940095	662.302329	549.1855565	523.9141904	522.0000824	1013.421458	499.2367798	440.1687765	1026.215298
6.68_494.2583m/z	494.2582556	6.682883333	neg													1611.462252	1449.605297	1371.788094	1009.372841	2707.493786	964.6711131	992.0348306	1403.447393	618.3967972	2463.456264	1428.868407	0.000297236	811.0280951	1283.148522	3810.395887	2063.88353	1726.06134	2820.767548	1183.467442
6.69_1096.6769n	1097.684189	6.685966667	pos													34841.44372	45825.98473	43226.54828	40550.83616	44303.19324	60431.99987	30971.53275	60336.78669	52073.72611	59208.11246	51414.62836	63344.44673	42287.07156	45833.88911	36526.37623	51318.94827	37656.39784	36610.82929	42850.52099
6.69_1098.6854m/z	1098.68544	6.685966667	pos													58127.96272	61575.27494	57126.44173	45353.25779	61780.98378	65177.61008	58459.91924	95271.35024	77183.92931	80651.82241	60938.3342	86460.97982	57308.9834	58529.99117	40082.4445	62085.90591	51082.82684	60376.88423	57742.09616
6.69_251.9224m/z	251.9223519	6.685966667	pos													9852.206559	10392.59061	10366.69469	243.4037296	188.7930705	187.2700055	239.5137807	58869.11213	84586.05269	209.7563538	325.2169762	15641.91561	202.1671966	340.351115	106.4082803	354.3395286	256.2695182	217.0408907	173.7489158
6.69_799.0457m/z	799.0457423	6.685966667	pos													98409.31508	108273.1536	100541.6701	85031.1861	106560.9049	116548.1229	112715.7579	158088.3635	153128.5615	144421.6537	136890.3632	148180.6531	107151.175	103760.2776	82260.49723	102157.0846	80260.67327	96725.98017	86926.15608
6.69_799.1368m/z	799.1368102	6.685966667	pos													76018.28562	68444.2635	82540.67607	64211.72959	87746.07166	89767.46	73923.07078	114868.6361	113068.9802	102917.6821	83295.22542	115963.6944	74034.99047	70846.23043	51601.36308	68434.95019	69437.67427	65506.34743	63282.51512
6.69_799.5014m/z	799.5013529	6.685966667	pos													7914.399475	8269.039077	5581.51627	5128.033819	5385.754676	12856.64154	7713.646695	12130.46508	13854.6459	10701.38826	10779.27558	15860.48652	9105.631527	6492.118557	6441.866112	9468.185362	6922.49934	6604.669426	6495.645448
6.69_976.1652m/z	976.1651544	6.685966667	pos													191487.3242	163940.1019	173343.4544	142908.6959	177414.9093	202228.2959	192096.7211	262481.6577	252752.7657	216832.5337	190662.2723	243802.7433	188545.6245	179217.9206	137203.2954	177346.6822	153542.7832	162577.5437	164264.2355
6.69_976.8327m/z	976.8326646	6.685966667	pos													30730.51843	21728.35812	27456.95752	24247.538	31162.02903	29022.29414	21177.19783	39859.51382	38307.72478	42524.92474	21681.50122	36183.53809	23735.23931	25972.32749	15764.9191	25895.29009	20585.46354	23429.76245	25846.89967
6.70_145.0856m/z	145.0856379	6.703616667	neg													424.4275695	293.9891455	370.9378803	363.9414695	260.1615211	354.011947	314.6768294	320.7726477	360.6563746	341.0608816	348.1219452	247.9069188	394.4937974	347.5549056	314.704718	404.9173337	356.9006002	319.6474995	310.2050013
6.70_244.9850m/z	244.9850345	6.703616667	neg													1390.507373	1066.245042	1346.361482	1269.406488	960.4654472	1394.997355	1464.626461	1236.150278	1417.616284	1581.094771	1296.090023	995.8262249	1375.939332	1330.052259	1165.427145	1406.856248	1257.105435	1088.232212	1228.221389
6.70_313.1194m/z	313.1194156	6.703616667	neg													686.8665495	939.121513	893.9663031	497.0409498	1427.423075	616.4410894	626.7291971	563.1114222	726.5517814	1196.408824	551.0036415	833.1386059	571.0352268	305.1404402	674.3527982	553.5672038	528.5215176	833.7837138	904.1032443
6.70_326.9884m/z	326.9883658	6.703616667	neg													7589.380624	8368.316171	8473.485895	7705.967845	7303.940003	7917.975421	8628.65785	7697.770418	9099.553231	7913.733171	9088.373449	7347.278151	8206.568664	7842.134302	7301.544948	8191.449871	7318.271753	6734.8129	7276.181519
6.70_395.2699m/z	395.2699219	6.703616667	neg													148.6089009	210.4639597	210.6352132	341.7842101	135.7780527	0.000297236	290.4287417	0.000297236	225.0161093	58.65181361	415.2964707	261.2600127	56.65439741	432.2953202	89.3786909	172.9955326	239.5030003	291.9059519	115.0760123
6.70_461.2521m/z	461.252105	6.703616667	neg													2341.265746	2209.152247	2568.080883	3920.746398	1652.52195	261.1284698	3987.77788	0.000297236	3397.827338	1213.742974	4919.63618	3074.291919	1688.242994	4717.444495	1932.216539	2053.571644	5174.768708	3449.876502	1049.055746
6.70_529.2394m/z	529.2394191	6.703616667	neg													996.1390601	909.5942172	844.1095077	1585.078379	700.3034803	0.000297236	1669.742171	0.000297236	893.6726787	488.3734052	1806.659769	928.9040588	424.1413239	1877.571235	600.9711087	1015.136317	1844.688877	1335.691376	481.0671376
6.71_315.1333m/z	315.1332611	6.706716667	pos													837.5954291	638.7739468	642.8835185	435.9938368	1875.177574	865.415358	434.012207	670.4973389	665.5736071	916.2822224	474.4939009	1067.895004	300.6708876	377.6207394	422.2803071	799.1871888	507.4203035	851.6124691	825.4168834
6.71_427.3777m/z	427.3777074	6.706716667	pos													11193.5704	10101.94006	12201.17594	13775.91866	11994.87782	15678.88782	13242.82395	12809.29257	11146.68644	12272.39958	12824.10171	10048.63562	11214.13647	11311.29375	9700.292372	8747.293827	11052.2369	10866.56247	11400.12321
6.72_385.1996m/z	385.1996039	6.7244	neg													279447.0135	278884.0548	287961.101	212430.7969	214219.1519	190115.4314	283004.4268	185439.6196	614879.4667	242538.6411	219683.9241	400599.3009	734346.7415	214236.5128	198166.0731	226893.6016	371988.257	239252.8015	276082.4418
6.72_443.1583m/z	443.1582992	6.7244	neg													2533.180928	2203.626193	1904.286713	1442.681399	1148.56512	1112.449204	1883.579159	1205.578396	4815.069783	1561.927454	1529.392869	3446.160052	6271.858631	1383.653904	1160.596855	1569.686428	3276.491675	1342.096322	2324.396445
6.72_470.1772m/z	470.1772336	6.7244	neg													1619.160467	1424.702193	1248.600871	1088.141075	743.7484123	626.0129488	1390.818882	785.9810066	3510.418499	1200.226771	882.351547	2432.69148	4367.28085	850.5890121	782.6042649	1092.851445	2258.850787	934.2500612	1658.84671
6.72_521.1744m/z	521.1743747	6.7244	neg													16701.41818	15574.02616	15873.43036	12420.97479	10940.13511	9920.27299	15925.50505	8359.861925	35034.49425	12581.78487	11997.58089	23367.6042	43828.11655	11096.38868	10074.45882	12387.61112	22731.14734	13271.0728	16274.27038
6.72_657.1495m/z	657.1494731	6.7244	neg													2829.83252	2772.285139	2657.661099	2294.391319	1587.325038	1391.062531	3005.317183	969.6183549	7156.108001	2458.478714	2021.937745	5033.48201	8043.261716	1930.802101	1328.868776	1736.244512	4328.987685	2158.045341	3089.646174
6.72_725.1369m/z	725.1368886	6.7244	neg													906.6277468	902.5353848	1005.347997	249.6575946	1071.919572	505.7422366	1028.824194	297.6643635	3335.469482	586.2768051	909.6213656	2003.363356	3710.084282	706.9465331	536.5055921	908.0253078	1974.315024	806.7585042	1205.294924
6.73_221.5716m/z	221.5716215	6.726866667	pos													441.1522709	403.9209296	498.5673984	264.7085595	322.44113	185.1752399	288.3286253	238.4734558	1024.417426	327.4164384	232.1015653	719.1725772	1634.363811	155.8618767	276.8520633	252.7301692	477.384376	244.3546965	468.2562199
6.73_245.2350n	246.2423203	6.726866667	pos													34324.60323	35596.51647	35359.71389	36621.91839	69069.26062	21122.8221	26119.9769	23262.53376	24510.57694	30413.21181	31046.79967	29884.52864	30051.94994	19841.33478	28218.55215	32564.14088	23963.05203	79008.05308	32149.6301
6.73_386.2063n	387.2136253	6.726866667	pos													302552.3464	320040.4709	306432.0942	213274.7398	196948.2871	191296.4853	252824.1042	190020.9251	634918.6467	221401.299	223258.7692	465015.8367	733172.207	217995.9168	214678.0994	228532.9988	398737.5887	253194.4026	295070.4654
6.73_389.2188m/z	389.2187971	6.726866667	pos													4358.22128	4491.447255	4109.496556	2869.816578	2494.622058	2795.788455	3443.430296	2074.20576	9275.968392	2766.971953	3081.866596	6328.459105	10607.63651	2842.515008	2438.07089	2743.806031	5647.425983	3015.808687	4337.439043
6.73_431.1775m/z	431.177493	6.726866667	pos													37982.43495	43315.70254	38199.85903	25612.74195	24902.19806	24548.85899	31377.48984	27784.27069	99432.7957	30693.56274	27914.27873	67124.93335	95899.68616	26583.95801	27781.75868	27627.15228	49456.82765	30488.93065	37093.41953
6.75_156.9863m/z	156.9863011	6.745816667	neg													7855.386676	7985.276422	8929.736349	8853.053616	9532.069021	8244.728676	10271.15867	7917.017393	7891.360612	8936.213534	9134.582448	7774.86241	8936.791358	9124.804694	8329.663995	8741.170779	8627.294607	8960.888276	8259.675473
6.75_187.1329m/z	187.1328765	6.745816667	neg													1855.768777	1556.306481	1852.246611	1942.519588	1872.999241	1998.438971	2125.248326	1841.111975	1996.645077	1984.030042	1996.096547	1505.0743	2042.833217	1788.929119	1867.620301	2092.507128	1893.649705	1870.734421	1899.214894
6.77_154.9892m/z	154.9891978	6.767533333	neg													61140.54907	61969.96695	62645.59256	63836.59738	65845.3711	62258.87342	68792.1722	60872.82166	62084.01224	65760.22562	68474.89634	58574.17077	62977.50059	63149.23655	59767.25887	64290.86831	61927.97296	64752.55301	59786.0041
6.77_426.9398m/z	426.9397641	6.767533333	neg													1748.589658	1903.91665	2002.720948	2005.528997	2450.513849	2188.870317	2548.537415	1953.325835	2011.574354	1989.821818	2272.054682	1875.626642	1832.763842	2107.895583	1882.663541	2213.740794	1980.553869	1997.300469	1703.521732
6.79_155.1064m/z	155.1064148	6.792666667	neg													123.6686126	118.7566083	149.0557397	23.03371484	155.1922965	14.02531376	65.37089433	604.6562696	100.9954471	11.70083213	55.33510035	156.5982491	61.23976203	67.51249457	39.97539021	22.29127482	67.0608721	53.13921719	48.72919961
6.79_267.1562m/z	267.1562317	6.787316667	pos													3036.40483	3134.183339	3005.064699	3479.992317	3026.781811	3368.990721	2951.486144	3270.409736	3189.449255	2959.536087	3372.811085	2767.982427	3368.769366	3600.662521	2817.877334	3015.016433	3097.132646	3297.955195	3423.988545
6.79_312.1429m/z	312.1428813	6.792666667	neg													581.5887544	508.9814067	575.9706097	253.8409848	971.7686835	683.2306158	277.5073898	644.4589569	733.7661279	452.3069933	607.0242579	294.6797208	654.6551317	677.1394089	581.7165009	650.052795	640.0708759	411.3039942	599.4063635
6.79_332.9219m/z	332.9218641	6.792666667	neg													2817.375085	2674.109609	2979.148358	3200.803721	3858.861632	3458.670618	4027.541485	2865.989007	2248.229125	3100.253919	3355.85891	2499.660215	3338.839801	3127.668872	2822.125147	3259.615365	3099.716411	2536.688922	3172.587296
6.79_367.9063m/z	367.9062542	6.792666667	neg													11088.74561	11320.32288	10942.61012	12410.48749	12560.24575	10903.86574	13525.12921	10084.1229	10342.4436	12409.86485	12171.46854	10148.6441	11736.68292	12115.3119	11338.53797	12880.53258	11808.06144	12053.72621	11600.25268
6.81_158.0026m/z	158.0025988	6.806916667	pos													3939.572311	3473.289813	3737.996461	4675.448495	3783.482676	3976.61382	3787.62258	3845.740822	3532.078131	4006.836681	3831.18329	3285.247807	3797.226355	4100.143766	4071.260033	4322.080384	3879.383766	4070.691122	3694.891942
6.81_933.4618m/z	933.4618419	6.806916667	pos													7501.817996	12689.39666	13837.06181	17888.14352	14393.74773	11583.0585	13409.12212	14424.92103	18806.21363	17463.67223	7506.490792	16779.87719	12636.78975	14228.76224	11589.89503	12164.63276	14858.22272	18091.92113	6108.798786
6.85_115.0134m/z	115.0133558	6.852083333	neg													4076.677737	4209.659821	4262.478069	131.2758734	121.8735665	147.9509676	183.598561	22919.51197	33847.56686	160.3738141	169.9148302	5742.478797	152.7922308	137.7411799	156.8767482	166.7896031	170.0079665	169.6361578	134.375708
6.85_117.0177m/z	117.0177236	6.852083333	neg													3270.177513	2979.50554	3145.487759	3295.683982	3220.715864	2932.193349	3529.342197	2959.08606	3115.297975	3309.601424	3484.369786	3268.520744	3426.556425	3371.948922	3138.263534	3448.474191	3237.049753	3303.851466	3334.66031
6.85_226.8006m/z	226.8006447	6.852083333	neg													1592.617446	1592.102066	1640.116966	1788.283663	2107.956328	1901.851838	2240.782352	1127.963737	1053.102838	1934.459085	1898.740463	1272.493578	2065.020619	2171.858908	1544.430015	2034.733878	1945.584351	1944.767332	1909.899738
6.85_302.9137m/z	302.9136926	6.852083333	neg													488.97362	512.1944612	622.3657494	113.5826342	41.10887143	0.000297236	127.1827849	3213.436352	4666.637294	60.34957831	82.4535627	656.663064	128.7292572	151.2926584	124.2891623	0.000297236	36.78788019	49.68897105	56.85674685
6.85_353.8479n	398.8460166	6.852083333	neg													20713.80662	21654.69188	22315.41994	0.087900081	0.000297236	0.000297236	0.100651141	125900.8101	178040.2794	0.756306986	0.000297236	30877.43041	0.05651534	0.005616164	0.335077098	44.82152876	0.669586003	34.06804641	43.38365358
6.85_355.8450n	400.8431037	6.852083333	neg													17871.02925	17576.76021	18212.81421	976.0188051	1069.056341	845.1739006	1139.139272	101524.5398	143799.2459	1062.969779	1060.012279	24663.56672	948.5793349	1018.317617	727.2032818	1093.956092	783.6087759	873.809269	981.4248783
6.85_402.8400m/z	402.8400334	6.852083333	neg													7139.375567	6572.796036	7517.808145	288.3895332	285.2214489	125.1690041	274.1436845	40432.33575	58326.84769	378.5259294	279.9559831	9660.96113	313.8541907	211.81851	256.0533542	375.4684253	270.6521513	177.6514261	166.3849572
6.85_405.8382n	404.836742	6.852083333	neg													2046.054905	2320.219951	2293.313181	208.305857	246.3035017	142.2620395	140.6215622	13787.10668	21153.48059	126.7919731	90.16546279	3204.729874	129.8945322	98.50056755	114.4464308	248.867105	195.6438697	97.13730872	152.942376
6.85_413.8393m/z	413.8392544	6.852083333	neg													4278.191472	4017.043383	4236.625713	0.000297236	0.000297236	0.000297236	0.000297236	22827.15887	33162.13192	1.885442512	1.609971864	6457.953671	0.000297236	3.700612764	0.000297236	3.837291262	0.000297236	0.000297236	0.000297236
6.85_415.8363m/z	415.8363036	6.852083333	neg													8277.835921	7805.623495	8306.62853	0.000297236	0.000297236	94.05561004	0.000297236	43729.1557	64917.06497	0.000297236	0.000297236	13259.92199	82.68104422	0.000297236	0.000297236	133.0277162	0.000297236	40.1069837	0.000297236
6.85_417.8334m/z	417.8333945	6.852083333	neg													6444.639359	5720.164976	6425.476029	103.4409943	99.11586957	83.53841181	204.1533897	35194.34937	52866.03156	63.44390176	67.12394821	10271.34061	51.90982702	0.000297236	57.16195488	64.66802596	0.000297236	53.05942487	0.000297236
6.85_419.8304m/z	419.8303525	6.852083333	neg													3622.980607	3271.659404	3839.761301	33.7032335	61.92782716	70.05255531	68.32932261	21503.74788	31736.19068	54.13123038	47.65987363	5430.990579	75.39738294	56.32232209	53.78432792	129.130842	135.4766228	64.90798502	107.5906924
6.85_437.2156m/z	437.215583	6.852083333	neg													2856.426959	3200.244174	2954.608204	6069.722814	2371.684655	5622.421223	3070.760603	1667.789223	686.2065641	2292.027241	2663.142761	2271.674071	3029.332292	3175.689011	3900.765285	3736.003676	4775.165177	5687.618538	4712.816002
6.85_440.8750m/z	440.8750131	6.852083333	neg													153.1594297	192.500797	144.8000679	0.095905295	0.045325509	0.000297236	0.000297236	1550.903584	2963.252295	0.000297236	57.89625921	371.4358505	0.000297236	0.000297236	0.000297236	2.778291665	0.000297236	2.206509025	0.041718974
6.85_444.8694m/z	444.8693561	6.852083333	neg													218.8462975	269.2677545	170.3975718	0.075066834	0.000297236	0.000297236	0.000297236	3091.82004	4811.057821	0.033337312	1.405379955	744.7442047	0.000297236	0.000297236	0.000297236	78.0210562	0.000297236	0.000297236	0.000297236
6.85_468.8304m/z	468.8303852	6.852083333	neg													2676.9526	2443.545581	2790.050644	0.000297236	0.000297236	9.612077643	0.000297236	17103.47142	25665.59989	0.000297236	10.3631747	3998.814244	0.000297236	0.000297236	0.000297236	12.32441433	0.000297236	0.000297236	0.000297236
6.85_470.8277m/z	470.8276701	6.852083333	neg													911.0719637	1069.638998	1095.257663	21.20283929	47.04676951	14.33349476	45.35796987	7358.57746	10284.11568	0.000297236	0.000297236	1535.874182	54.29949936	0.000297236	25.11804856	48.7238989	65.64992753	0.000297236	0.000297236
6.85_536.8182m/z	536.8181779	6.852083333	neg													720.6143244	561.477617	538.9619803	178.7298509	109.0509852	285.6101641	183.1220444	2667.481401	3354.614921	99.14090463	73.38078728	642.2779042	174.3957473	275.612476	223.5787625	310.7929179	336.2795439	99.36155927	195.9948379
6.85_879.0496m/z	879.0495752	6.847433333	pos													8965.001279	8766.155541	13648.69917	7885.339455	9246.26858	10772.4856	13766.83203	13159.91763	13594.85081	12305.70585	8241.746851	8895.099554	9295.762253	13327.50221	10209.58635	13191.96983	10245.14487	10682.92739	6010.000802
6.87_213.9307m/z	213.9307494	6.873266667	neg													337.8140826	471.4235553	336.5510781	18.10997483	67.43048968	0.000297236	29.05892576	2302.261099	3497.743547	18.39935105	31.99764504	651.3814629	91.63913013	17.65590243	20.12822119	23.84009947	18.10401984	20.64183771	0.000297236
6.87_249.9078m/z	249.9078197	6.873266667	neg													552.0821733	600.9393503	602.5071601	8.658785788	25.574378	37.04004108	9.148587566	3252.460162	5406.168054	28.61711115	42.88028516	802.7316804	8.297728315	59.50467082	10.897051	45.33518244	25.44086872	51.2311073	17.41135425
6.87_566.2769m/z	566.2768919	6.873266667	neg													1665.807524	1550.013446	1619.505215	2985.535383	3241.637016	3473.431087	777.975783	0.000297236	0.000297236	3717.428015	1642.604164	0.000297236	1158.912508	1799.278121	3850.127983	4306.809173	7136.134227	5167.228764	543.0011545
6.87_861.7367m/z	861.7366894	6.868183333	pos													2165.052347	2125.141699	1669.410324	1820.033631	1717.157181	1458.857268	1341.526775	2888.394699	3314.094777	698.1179401	846.5606273	7175.072727	990.4074737	0.000297236	2628.987041	1900.935229	2774.777383	2094.696251	1416.342305
6.87_878.8484m/z	878.8483501	6.868183333	pos													12490.01431	10016.98761	11189.58848	10849.28047	9183.958903	17120.03586	8073.476193	14194.52584	18494.2144	10914.22462	9944.73457	11482.08401	13268.95983	9198.872198	7222.895531	12143.69549	11779.97382	14167.53276	7288.156364
6.89_1175.5975m/z	1175.597541	6.892766667	neg													1154.15423	1020.120721	849.1478221	1109.073772	1249.772216	1123.145007	2026.683505	892.9884919	0.000297236	1913.905563	1791.073085	1226.92943	1206.680068	2478.806703	549.3484798	1518.768858	881.8087166	1595.155856	2074.094554
6.89_1176.0991m/z	1176.099097	6.892766667	neg													1219.065249	2000.963913	1583.126862	2059.01612	2791.170031	776.2032703	1751.98673	1015.09726	638.9117617	3102.864432	2635.893583	1952.573264	2788.774063	1771.35454	1464.001094	2825.599929	2649.448618	2251.595785	3429.118057
6.89_1176.5999m/z	1176.599888	6.892766667	neg													375.149691	663.2864289	517.3388723	980.4181213	396.9097976	1006.991555	2211.316752	383.4582496	0.000297236	929.3525903	1530.885241	982.6805813	1373.612301	1229.876212	575.5071087	1808.576686	790.4692781	1172.331788	1412.367885
6.89_170.9842m/z	170.984226	6.892766667	neg													737.0115509	923.7046091	687.2010904	913.5942753	970.3747452	807.5085384	785.0458915	664.4508863	886.8217452	1106.62447	903.301835	916.5105698	1096.349147	1087.29962	983.3966952	1008.221335	816.650098	1177.558398	949.4709208
6.89_251.9224m/z	251.9224104	6.888566667	pos													1846.255896	1850.194883	1805.22193	383.4026518	349.430044	338.5061973	450.2351434	11505.36978	16277.88029	340.0203543	406.7212601	3170.831714	437.233203	430.7173168	340.8974366	360.8766372	232.591783	408.166799	248.1100037
6.89_547.2950m/z	547.294975	6.892766667	neg													699.6728041	741.7094125	594.2958207	83.9084007	608.9434399	444.6793444	0.000297236	1510.496634	8073.277648	79.68368885	203.9119774	2697.066711	0.000297236	0.000297236	679.7880842	0.000297236	197.55203	312.4433321	0.000297236
6.91_174.1205m/z	174.1205433	6.913816667	neg													48.21417399	32.53159316	29.16118216	85.60125812	76.54152872	58.01352052	19.99993621	36.78890006	62.04436693	109.1551994	36.0879228	78.3416702	80.1957148	59.65533725	79.60667028	81.44096011	43.07258159	23.41638296	50.3369645
6.91_183.1015m/z	183.1014839	6.913816667	neg													573.9721159	678.4337778	636.4769151	541.1459909	765.7905902	1174.739638	531.3857774	467.9570766	922.8329547	1691.652409	646.715336	633.6249295	809.3847221	640.2008906	575.9445659	520.1272548	566.3663445	762.473468	646.9464719
6.91_225.8967m/z	225.8966574	6.913816667	neg													2786.800736	3019.72394	2533.248632	2982.717272	2980.739215	2661.45381	3403.343372	2461.179022	2289.62594	3216.455262	3222.49947	2593.709485	2989.37558	2929.160989	2781.062679	3223.561754	3075.308009	3121.195731	2869.311147
6.91_428.9613m/z	428.9613205	6.913816667	neg													2733.802488	3062.069543	2670.786335	3218.352814	3542.49583	2736.733734	3034.269091	2039.427846	2601.921007	4052.921608	3709.794215	2145.173512	3325.444495	3444.697835	3341.748348	3176.367161	3713.40414	4219.846798	3798.637481
6.91_785.4102m/z	785.4102117	6.907916667	pos													2965.231913	4946.033913	3316.24657	3106.36333	2786.117286	1462.673479	7354.591784	778.4674305	1707.127171	3549.426789	3341.956736	2221.165604	3315.703679	3954.161128	3852.847987	4301.81529	4425.785836	2381.744687	5065.3387
6.91_785.7439m/z	785.7438758	6.907916667	pos													3302.694753	3789.367099	4172.421584	3454.086222	2632.107206	2770.279143	4798.724139	1381.982169	2100.843994	2677.453035	5834.439248	3187.831108	4047.346074	4142.659467	4278.40167	4922.285149	4032.02027	2854.310496	5301.35592
6.91_786.0783m/z	786.078272	6.907916667	pos													2107.42417	2086.098107	1223.155182	2082.549654	2240.266383	1842.030838	3145.616545	932.0094478	1514.521652	2171.412966	3678.621723	2155.75657	2402.821396	2729.442364	2611.780408	2649.583449	1959.810157	2159.450978	2801.182305
6.91_878.6494m/z	878.6494346	6.907916667	pos													19195.72092	18929.87544	23287.40777	12154.02867	17748.81169	24743.8486	17974.72428	25490.00776	29899.37211	31487.15774	25119.53522	21920.09081	15087.03764	14530.0015	19194.18884	16447.48533	21371.25031	19752.60571	18731.93897
6.93_111.0392m/z	111.039173	6.9276	pos													538.5326265	412.8372605	507.5186018	512.8620869	434.9129971	449.5707327	519.5045985	379.6022673	454.3552006	608.8576936	438.8607195	568.6486635	427.1105318	574.3706549	500.9764202	538.6845183	500.5926169	541.5885066	479.2892663
6.93_187.6580m/z	187.6580201	6.9276	pos													374.378329	385.8280009	356.5460904	287.3345631	377.5194556	663.9163012	314.3332301	241.7258522	344.6593842	534.3711657	355.7222828	250.3348471	357.3318098	330.364119	271.3018141	189.7090075	357.1483114	350.764209	349.3519994
6.93_371.2914m/z	371.291383	6.9307	neg													991.0947061	1012.640625	1094.140464	883.926744	1462.50506	1855.674123	940.9655713	904.4046273	878.1422093	1991.163742	1184.777428	771.8734526	1312.544383	1218.548663	516.4270862	871.0484301	1086.992342	1302.993349	1470.665723
6.93_373.3054m/z	373.3054462	6.9276	pos													1766.941267	1890.86604	1980.422368	1504.801001	2111.007841	3637.552092	1401.177156	1841.674979	1447.332612	2611.895253	1527.737827	1130.617644	1888.827468	1879.412519	1391.196095	1317.805031	1602.669707	1759.622623	1905.714863
6.93_501.8631m/z	501.8630844	6.9307	neg													2123.6832	2444.011809	2133.293221	2612.499392	2713.487125	2013.834548	2505.321692	1424.5436	2238.539105	2699.031072	2387.398685	1780.412957	2700.71695	2521.948385	2537.72763	2158.467181	2567.56234	3171.348858	2894.353578
6.95_170.8696m/z	170.8695881	6.95255	neg													1095.039305	852.059745	788.2150971	835.6111099	745.642467	644.1070448	754.3218129	616.742956	786.0093644	987.1090796	822.5845518	857.7520202	1112.602687	870.2018433	1055.643306	911.0344613	1003.445573	1226.114531	900.5073453
6.95_317.1603m/z	317.1603067	6.95255	neg													425.2642853	563.6635904	441.5420437	104.479914	353.2956241	263.7813709	130.4930533	4055.455439	1701.746871	299.8727596	35.57654056	246.3138975	148.2856504	81.83022366	88.70925898	67.76462009	102.6738176	100.6166943	110.7826201
6.95_351.0083m/z	351.0083189	6.95255	neg													1708.033803	2589.39485	2020.168135	2107.90195	2042.103318	2037.639132	2355.047249	1408.767202	1807.78344	2324.921253	1981.164694	1911.741062	1951.597323	2101.845542	2192.414081	1732.633977	2120.622527	2475.774653	2138.390147
6.98_226.8006m/z	226.8005849	6.979416667	neg													1368.620704	1346.386469	1423.681445	1487.765819	1460.61996	1441.908176	1334.290671	831.5219974	1053.60119	1552.417366	1423.470825	999.2592117	1412.480218	1565.125975	1690.341479	1412.892432	1378.124317	1625.558216	1261.961867
7.00_426.1454m/z	426.145388	7.001133333	neg													9167.354642	10366.02897	7454.351806	16471.80954	7255.228134	8788.959329	9094.178156	7099.777698	7749.353436	6661.609588	7643.756762	9866.078177	4907.296993	4714.539152	12197.92453	10477.64118	8533.109194	10049.79615	6190.460515
7.00_714.8438m/z	714.8437633	7.001133333	neg													8825.274595	10533.30886	9321.430145	11026.35311	12476.85685	9845.167849	12863.54676	9685.661466	9327.029775	11509.83526	12613.49637	8097.23802	9511.875108	10432.94039	9578.746335	10878.86935	10001.80332	10090.8868	10824.97384
7.05_176.9716m/z	176.9716157	7.049883333	pos													3762.428759	3686.890799	3576.416605	3809.374806	3682.865112	3785.674232	3604.025764	3478.1571	3484.729756	3751.095031	3726.558258	3329.280415	4092.581089	3398.370445	4918.920968	4026.099417	3969.241274	4218.250065	3563.5623
7.05_274.1831m/z	274.1830588	7.049883333	pos													10112.80567	9951.620254	10368.23076	9319.422082	6276.502042	5752.745544	9553.611481	20804.53039	14771.11333	4503.638457	11076.2236	12199.59681	6089.848527	8567.694045	12938.98512	8989.160751	12446.15875	13078.34402	7080.867671
7.05_379.0434m/z	379.0434383	7.050016667	neg													2839.382304	2181.213981	3166.714782	2522.44755	1968.332088	2316.045493	2347.206011	2713.745395	2328.858161	2251.305787	2809.44892	2246.534068	2200.238521	2733.619595	2142.538647	2117.595429	2203.728478	2119.134136	1875.57705
7.06_272.1690m/z	272.168954	7.0617	neg													1900.316823	1312.729305	2064.365913	1469.268348	805.9895545	1013.329862	1522.141569	3789.170159	2486.99033	701.8094634	1695.132485	1774.503243	1027.126215	1489.384376	1686.229212	1132.681605	2101.941776	1296.973257	986.6517448
7.06_326.9885m/z	326.988483	7.0617	neg													22768.23517	23588.71373	23313.55693	24709.46299	23843.21536	23825.49262	24352.32031	22215.54169	21911.41072	25082.33228	25558.51799	21611.06386	23021.22963	23954.34611	22756.20017	24171.88857	22655.31148	24069.79723	22342.79901
7.08_118.0395m/z	118.0395373	7.0818	neg													378.4224602	312.1531324	380.3763328	321.6618553	353.7744612	307.2234655	314.1838398	315.7593935	359.1429031	303.1934134	333.8910329	409.0838125	323.3184113	328.5593851	265.645861	402.4375953	304.9199411	267.2485802	299.86269
7.08_185.1172m/z	185.1171972	7.0818	neg													854.5938421	715.7343474	865.931493	581.4898554	781.9234175	567.433996	628.0622685	897.0619901	1113.153197	521.6035291	632.9281134	1005.694699	467.5919665	643.5056262	552.9212365	625.9944572	620.8514475	613.8135843	647.9008173
7.09_119.0137m/z	119.0136573	7.09055	pos													1520.134088	1403.23724	1546.211464	1617.420725	1486.450444	1447.730337	1483.781714	1711.227571	1521.212043	1667.430859	1709.274452	1632.860251	1543.009507	1470.176606	1854.170682	1693.341223	2026.123468	1592.95332	1535.264729
7.09_356.9992m/z	356.999223	7.093166667	neg													990.8101706	718.0276335	1119.361268	941.3977328	937.0964102	951.1979563	846.9026821	694.6079458	1239.761498	1271.992176	869.3576055	1032.581065	741.7333671	817.6626294	878.3612798	1176.252878	1157.317268	605.377297	986.4821738
7.09_991.4897m/z	991.4896914	7.09055	pos													10232.49785	6743.891224	12057.06682	4979.650237	7431.806634	4246.263807	8721.667327	11464.81135	8394.539447	6581.906285	8613.723975	5349.248471	6630.805928	1452.982433	10866.03075	4661.576177	7387.638403	11467.89347	5161.954046
7.10_176.9610m/z	176.9610447	7.103316667	neg													1240.434612	1370.110446	1404.078201	1129.101029	1407.694559	1377.706545	1212.298595	1186.928687	1412.00761	1191.80482	1412.594026	1249.959205	951.710591	1281.003394	1174.298778	1406.520824	1477.473381	1556.709101	1402.511655
7.11_213.1468m/z	213.1468439	7.109933333	pos													10194.22067	6951.360638	7239.164654	7785.710082	6955.323462	7919.312829	7209.054502	6937.841672	7908.942147	9012.528414	8979.558581	8086.594882	8783.184343	8577.331783	9923.36775	8149.493279	8710.568896	6852.455076	6860.519125
7.12_211.8818m/z	211.8818224	7.1247	neg													772.1639358	853.0576155	880.4335823	784.2998795	983.0434793	1069.57786	773.1228454	713.8357086	881.0387557	794.4018638	1226.033071	870.1805405	635.667454	953.6253072	887.5448709	965.1351552	1004.750746	892.9291944	891.8683016
7.12_279.0071m/z	279.0070843	7.1247	neg													7054.887343	7415.214713	7361.207556	6733.457573	8016.327142	8367.207049	7547.40949	6956.880002	7022.033921	7724.129456	9065.562043	6872.011088	6790.766641	7187.004122	7086.344812	7576.15079	7635.666135	8252.730849	7191.334778
7.14_318.0180m/z	318.0180153	7.14495	neg													500.2756482	700.0582263	653.2808927	231.9187691	89.99125173	45.87018019	104.8880055	4015.641318	4920.2683	110.2797666	165.3027752	736.7729048	121.8319464	47.55271965	174.9779227	87.77779872	0.000297236	195.9838769	91.55803711
7.14_320.0152m/z	320.0152007	7.14495	neg													1976.852298	2269.052776	2215.632399	1340.502873	1502.081109	1512.825473	1515.71488	6311.816557	7709.177786	1769.708817	1919.994808	2156.050831	1650.449057	1670.692736	1386.703035	1457.30766	1318.915921	1857.839002	1674.270713
7.14_352.0026m/z	352.0026371	7.14495	neg													2027.398171	2375.048371	1724.197523	1435.03852	1906.450494	1754.929965	1592.246369	4762.554497	6167.576094	1538.374162	1924.758924	2276.843148	1122.376156	1620.513372	1455.487968	1684.69451	1395.105078	1604.267025	1356.845862
7.14_353.9997m/z	353.9997338	7.14495	neg													1865.577413	2271.453761	1920.885897	1177.203095	1813.747054	1804.139473	1534.731671	6216.840383	7472.878273	1462.90237	2049.286987	2973.156418	1189.552074	1235.52124	1181.47679	1451.083519	1466.792475	1866.649044	1186.395055
7.14_388.0029m/z	388.0028578	7.14495	neg													975.1372259	1229.461958	899.2937717	934.2110619	1049.32419	935.2167301	874.7119122	2489.23113	3007.9475	955.0176156	1123.179582	802.6405786	647.5697722	1001.091914	756.628503	1017.067448	723.4865488	960.8383554	685.0447649
7.15_213.1846m/z	213.1845649	7.14945	pos													15068.74676	13728.20958	15038.65112	14860.2922	14259.90758	14159.90335	15342.37585	14305.41835	14281.91689	15373.26557	15511.66693	15675.4208	15594.92859	15241.96801	15144.39137	16241.51061	16256.55253	15931.74157	14655.80222
7.16_310.9970m/z	310.9969541	7.163366667	neg													5420.360153	6211.110249	5813.811786	5973.957295	6755.582665	6186.751738	6462.552383	5339.053034	5629.28186	6603.962883	7247.20698	5641.967472	6643.193096	6081.497114	6435.825036	6643.067765	6297.13516	6822.585765	5977.549135
7.16_403.0932m/z	403.0932474	7.163366667	neg													1256.298072	2094.959148	1344.420416	1587.333158	2101.294426	1634.398224	1899.40206	1361.844552	1493.601142	1641.08494	2073.003582	1330.230984	1661.188217	1690.715311	1576.004036	1834.816821	1673.712239	1993.06691	1545.001187
7.16_469.0750m/z	469.0749947	7.163366667	neg													10783.38332	17303.48655	10836.69305	12604.10719	15499.04687	11919.5083	16028.84683	11727.8768	12002.24723	14351.2207	18441.22359	11598.55397	13432.40141	11570.65943	12860.88864	14295.1094	12440.64238	14916.38431	12826.93671
7.16_486.0656m/z	486.0655761	7.163366667	neg													1763.630962	3028.230373	2188.416347	1761.054756	2383.557991	2017.253841	2450.562648	1769.648813	2074.428562	2088.971357	2958.096383	1911.030738	2259.453584	2266.550548	2095.215059	2213.391024	1930.841074	2630.662849	2047.752863
7.16_714.8440m/z	714.8440068	7.163366667	neg													5593.141272	6490.181625	5212.656217	5650.320932	6534.925837	5993.258744	6461.080916	5690.536038	5030.374867	6091.004411	8034.459956	4252.985715	5226.295587	5813.222271	5313.218366	5228.197246	5335.684804	6632.324979	5689.416881
7.17_1091.5784n	1114.567591	7.169033333	pos													89267.85149	83241.79153	83194.32623	57734.7147	100775.4628	105260.1027	78362.23314	155066.5964	149659.1313	112749.2556	86396.95958	124977.6613	79158.85355	60919.46742	51404.3849	74963.24615	57377.52481	74271.32324	73008.25755
7.17_1113.8164m/z	1113.816369	7.169033333	pos													88715.44257	101379.3366	89165.14524	67826.13431	115433.8862	133044.8393	88823.98943	152407.5133	164882.6005	146612.2134	100046.1293	145970.5779	70737.37059	94459.88312	60632.19626	83816.56604	77033.22369	71277.57056	68618.30635
7.17_1113.9415m/z	1113.941526	7.169033333	pos													134432.5037	156830.0798	138060.0677	80968.7336	140444.9597	173850.9063	124688.9646	249263.5875	222142.8608	206762.2984	144935.1987	198664.9709	114888.774	115636.9512	89805.48158	111761.7104	103212.4434	99566.95765	112824.3018
7.17_1114.3173m/z	1114.317252	7.169033333	pos													124580.2807	138261.908	134682.9607	102694.4853	156055.0407	157090.7491	98983.91799	248416.1116	224608.103	193638.1879	137454.4498	201385.1052	114824.2761	125324.6484	92282.10336	106913.2039	95754.6434	104721.1856	98568.31359
7.17_1114.4421m/z	1114.442125	7.169033333	pos													117628.9397	122562.1159	115835.7615	81554.59484	130593.3501	150119.751	108174.5242	215048.1275	195511.968	174521.2465	114770.6973	178010.0913	113246.7161	110093.4207	73026.54998	112427.4559	100083.9392	83672.04545	96881.01774
7.17_810.3243m/z	810.3243192	7.169033333	pos													18692.00232	24406.22637	19245.20789	15966.40322	17316.61977	18971.17022	13361.5043	35807.9092	34441.40259	24179.72453	18401.61244	41023.27731	22766.22484	11381.68733	14434.39105	14794.50898	16266.33374	19846.16199	12944.0163
7.17_810.5050m/z	810.5049754	7.169033333	pos													46633.4516	56245.60468	52526.44651	35382.1783	57627.5189	57861.16355	44443.62811	103552.6372	84046.33409	65008.48389	53565.57886	85811.46681	42376.51294	39398.38477	35460.06253	36728.60513	40745.45754	45435.38318	40419.56272
7.17_891.4552m/z	891.4551712	7.169033333	pos													112759.4185	115511.81	98183.1773	76045.10486	120573.8256	139567.39	100974.6537	203066.4083	219426.5597	154735.2012	120026.5423	160197.5605	106361.5499	109111.4059	71251.75179	101595.4059	87264.69705	82799.99687	88386.17654
7.17_990.2827m/z	990.2826697	7.169033333	pos													93377.37341	100251.9433	95148.51589	58525.07997	108822.5811	123006.479	98297.47542	159307.4742	163703.4125	131835.7942	111623.847	137601.5154	104409.2804	94790.27937	73768.19244	79406.58619	83898.01727	83238.72866	79687.28771
7.17_990.7279m/z	990.7278984	7.169033333	pos													104240.8033	116079.7203	120383.2	91155.94252	122041.1108	138044.5432	116132.5816	183669.2986	191470.8514	137061.7277	126861.4929	160754.3107	106509.7862	112836.2889	85221.07197	108582.8297	94062.49179	85106.55984	99285.63949
7.17_990.8393m/z	990.8392583	7.169033333	pos													25654.02048	31166.47055	24710.0267	14959.77925	20015.24939	28365.70775	16644.19651	47463.63183	38383.55771	30412.57548	21354.77106	44867.54204	20232.21602	16560.94311	14409.81716	20425.43655	22791.28556	19224.95837	17569.58875
7.17_990.9504m/z	990.9503558	7.169033333	pos													10909.34302	17129.82898	14945.98039	9775.759161	16332.79613	11681.94174	11119.2918	29561.78039	21683.99769	19063.62025	12371.3718	28405.80437	13700.06418	11981.68144	8748.667277	14097.87508	10595.69753	7451.337147	12359.95052
7.18_190.9472m/z	190.9472274	7.183416667	neg													368.4805479	554.8344737	511.1275032	1105.617624	576.9799438	293.095564	382.8651658	429.2887729	438.9887035	478.41902	464.0408912	306.3721699	495.0579449	533.7893683	620.6476892	569.1024649	489.5387834	681.2923297	448.8389089
7.19_1112.6835n	1113.690759	7.189233333	pos													30097.57868	30019.0753	32477.42206	23216.46312	36623.86282	47684.26296	20959.21843	47434.00914	55821.97399	48512.50373	37583.52721	55940.35077	21328.23565	28349.73748	19773.50996	29637.03224	28901.16714	31819.90018	25090.36123
7.19_1114.0671m/z	1114.067096	7.189233333	pos													131106.1101	143927.7095	153484.0519	99088.14292	167439.4802	181663.2566	138967.7934	261621.1443	257503.1813	188811.0563	137453.1509	214782.0576	123700.9092	126436.8842	100722.4973	117088.0053	117142.9343	116269.3017	120049.0784
7.19_1114.1921m/z	1114.192065	7.189233333	pos													151840.5626	171146.9982	154426.0986	114905.5498	185354.8265	195829.1487	134278.267	283130.4718	277473.7044	218896.0556	174719.9077	229428.9403	146206.7026	142942.4685	115222.3659	145185.38	119736.8652	128440.3805	134718.9311
7.19_1114.6928m/z	1114.692775	7.189233333	pos													58955.1675	49432.89485	48501.05081	28035.5794	56761.174	58212.79501	50535.8955	95050.03938	93592.42527	79574.53096	58326.96598	67039.66561	45389.1839	34096.25972	31068.49311	42950.88291	40306.72449	42471.83295	44864.74594
7.19_231.1831n	232.1903374	7.189233333	pos													5554.959433	4928.609503	5088.57279	5675.164788	5358.11128	5079.278623	5278.004354	5436.945663	5274.873238	5232.481589	5654.869516	5860.985554	6176.502711	5982.595677	5737.764984	5855.698528	5968.289716	6141.730415	5131.751437
7.19_810.4144m/z	810.4144277	7.189233333	pos													35228.43108	45433.15131	35839.00528	24123.55073	53182.03249	39028.90934	37539.50073	74837.57659	69865.46269	62680.39498	45382.91605	74127.0759	33748.93515	34402.3108	32761.23527	34021.86165	30890.27186	32764.0656	33491.05088
7.19_891.5552m/z	891.5552213	7.189233333	pos													103767.9635	127161.8645	102993.7175	73545.27668	133808.7994	128437.7099	95421.58734	194357.7752	197139.1745	152762.957	120189.555	179338.3794	114924.3404	115914.6822	78916.90085	89885.77822	83816.01267	96364.51742	89837.96132
7.19_891.6554m/z	891.6554356	7.189233333	pos													88883.03933	98450.54704	75144.27331	57707.92248	88559.09188	111546.1161	72736.70294	143186.2965	134457.9561	115324.868	86844.09872	130101.7188	80298.44808	84917.10207	56858.18334	74142.77762	61419.91619	69293.59366	70094.85229
7.19_891.7555m/z	891.75546	7.189233333	pos													82725.7017	94557.82004	97736.32042	59193.99795	101749.0171	106834.1746	73636.85767	165527.4548	135297.7861	137498.4893	95858.90179	135723.2337	77676.67962	81791.19215	58220.05843	74667.20378	64363.84974	68158.44454	72745.557
7.19_990.3939m/z	990.3939228	7.189233333	pos													121865.8914	134462.7819	108536.509	74718.54174	127196.5638	150447.7925	116897.9797	213226.3055	219287.8763	150816.8903	123820.8531	182312.0967	108686.504	124914.0084	74988.93901	115062.5898	82808.93934	100319.6779	92176.97898
7.19_990.5050m/z	990.5049794	7.189233333	pos													134958.3483	137945.1859	137789.2148	88593.0658	163529.0397	164264.1691	126216.0187	258036.5829	236650.2864	181104.6698	152805.22	211172.4225	114731.5539	124808.7756	109309.4521	115096.634	92049.67336	119467.7309	113183.3535
7.19_990.6163m/z	990.6163393	7.189233333	pos													123231.62	123398.5936	123167.6356	103913.3702	149566.8584	180859.7438	121613.8695	220204.4303	202310.4184	173263.0575	154159.6676	200079.5448	127964.0777	127155.0161	96465.13612	99271.09349	113858.8285	110069.8794	127460.2118
7.19_991.0617m/z	991.0617495	7.189233333	pos													13460.11431	10825.96882	8525.438596	5772.515915	11201.07935	11843.33921	9671.777876	15355.28449	14478.81198	10894.00722	10165.94818	14512.30374	8730.804705	6161.027131	4264.495289	6295.205242	7397.080035	7000.21588	12622.46028
7.20_272.1689m/z	272.1689433	7.196716667	neg													1594.625118	2077.938283	2249.852844	1730.531724	2397.761868	1810.135326	1499.372001	1850.674826	1927.601991	1956.181971	2965.221135	1250.640366	2260.816463	2561.206387	2014.011922	1374.989889	1569.634388	2645.715224	2033.614651
7.20_351.0082m/z	351.0082357	7.196716667	neg													1236.363479	1457.815626	1135.080959	1102.500209	1260.298875	1396.624272	1541.76565	1332.8657	1100.053002	1410.401022	1699.027133	966.9940272	1348.95163	1229.410702	1298.951326	1021.773251	1086.943464	1288.193214	1027.93794
7.21_274.1831m/z	274.1831019	7.209733333	pos													19378.25852	20931.07252	19906.95203	17231.7831	19750.84938	22950.95445	19892.64866	14951.83322	25421.03239	16702.72969	21388.94618	15465.44693	20958.26672	29403.98405	23811.6709	18375.43338	25111.57944	25873.28611	24299.09499
7.21_368.9990m/z	368.998984	7.20855	neg													2440.140469	2582.342557	2590.508399	2318.785592	3065.553634	2821.97878	2820.077131	2867.944987	2565.66307	2973.301835	3816.213344	2543.991538	2544.67167	2470.185307	2650.314697	2450.001153	2407.648877	2801.713239	2466.214064
7.21_465.2080m/z	465.2080395	7.20855	neg													658.9523277	784.8093739	691.7929922	193.2710619	240.9113492	275.5533071	274.0593104	319.5727599	0.000297236	74.10418205	0.000297236	280.9066246	69.45784826	250.2295822	254.1302415	168.7112527	80.03338937	329.5224614	65.10054304
7.21_810.7789m/z	810.7789479	7.209733333	pos													32787.53524	30770.70587	31391.42372	20261.1442	30753.97113	42122.98944	23230.78792	49515.7551	54971.37502	44656.34542	37122.00911	45857.3102	23484.43007	28792.18455	17907.92965	32699.22679	28406.29058	28472.65284	27599.43126
7.21_891.3550m/z	891.3550452	7.209733333	pos													88574.82675	97780.06492	88562.3544	63409.98885	103743.8383	117818.2057	82503.35235	154082.2297	164199.9034	111944.9725	101810.1225	145655.8348	92865.55611	76821.96629	69324.23267	81676.77303	63136.45317	83584.33396	72566.64227
7.21_892.1562m/z	892.1561969	7.209733333	pos													4686.743252	7421.198866	6997.094287	3491.014609	5207.441176	6523.922713	4963.766509	8123.347429	12145.30056	8539.438977	2473.118593	10468.47614	3109.133489	4501.432455	2526.856269	7260.408051	2966.659188	2562.153992	4853.478104
7.23_187.1329m/z	187.1328873	7.229816667	neg													5513.575529	5261.360744	5262.350373	5423.487344	5475.158502	5300.653389	5111.286811	4992.553677	5261.52892	5228.207274	5593.305215	5193.220763	5336.843626	5396.885543	5327.750512	5698.289323	5339.522019	5587.381192	4848.207914
7.23_397.2207m/z	397.2206853	7.229816667	neg													2227.935005	3001.544621	2627.377822	1091.940003	1391.153989	693.4074718	1142.55489	1032.896604	894.7295102	370.2140881	493.0073749	1874.964627	1085.845818	735.1242697	981.5945152	722.0119745	525.2728033	989.6870756	480.3247488
7.23_891.2552m/z	891.2551731	7.230133333	pos													8281.225104	13894.02606	15018.7135	10993.82723	15691.03981	14250.75192	13465.36478	18868.70716	22365.16354	14446.05425	11813.82199	14935.04777	12167.71568	11463.81945	7452.847855	16387.14089	6517.333369	9678.603005	12272.03508
7.23_891.8553m/z	891.8553459	7.230133333	pos													26664.41585	35557.61185	36553.90841	22603.60702	43727.63747	39201.0455	26513.90207	50761.20461	49315.09053	46274.7069	29623.5634	28752.63413	32105.3217	28770.48025	19088.7117	27514.12737	21534.92793	17312.63902	26844.86446
7.23_990.0602m/z	990.0602333	7.230133333	pos													4111.080638	6371.986882	7062.493073	5035.390643	7838.669778	6316.992684	7018.518091	14505.2756	11055.42416	4934.384659	6860.145649	7123.002673	5537.668683	6513.467211	2836.80533	7240.620976	6006.760508	1131.671868	6359.785713
7.24_179.0703m/z	179.0702856	7.240783333	neg													952.8861575	895.0398564	947.2529362	1030.149952	988.3743133	893.728044	868.9443871	914.8326027	927.4850818	938.788559	1004.858392	984.6773932	917.0120849	1000.017324	912.1840488	985.1282819	872.1753751	1043.627714	894.1165536
7.24_325.0126m/z	325.012608	7.240783333	neg													3448.571997	2920.376029	3031.694916	3516.364326	3228.235797	3138.20462	3812.981698	3247.111346	3636.402201	4129.194088	3368.193969	3123.998357	3443.304115	3637.598452	3152.867712	3723.339246	3218.137891	3166.458596	3180.214034
7.24_673.8755m/z	673.875522	7.240783333	neg													14568.07143	16828.33437	15510.02195	17010.97853	15761.43944	17118.36222	18593.19479	16271.98766	15901.13866	18134.7946	20700.01403	15500.10077	14618.64866	16952.51512	14977.42102	16095.74433	15651.3454	16199.96243	15099.25729
7.25_990.1713m/z	990.171299	7.2514	pos													10273.92421	10636.10405	14376.52063	7893.918123	11032.62137	15470.29545	10931.49329	22722.01141	11211.57177	8150.611136	12184.60322	13300.94183	11293.91833	14200.47767	12763.32555	9327.959287	5056.447274	7644.180543	11129.22974
7.25_990.8392m/z	990.8391911	7.2514	pos													12040.46618	9635.55042	14600.10362	11950.36773	15915.99959	20029.5834	10310.05933	22105.09492	19279.60233	16667.88481	10369.48657	17920.76955	8309.741216	13642.79542	8023.153745	11599.07322	9105.437603	12189.59019	11062.67778
7.26_238.9943m/z	238.9943382	7.260533333	neg													2578.610915	2339.351042	2400.743805	2625.439992	2738.241121	2513.102245	2488.404303	2645.380002	2704.076668	2637.56774	2517.882858	2550.348257	2668.781971	2523.999465	2537.394061	2887.698828	2776.400133	2595.425383	2474.853005
7.26_246.9808m/z	246.9807764	7.260533333	neg													6565.795064	6029.360347	5831.765538	6699.232526	6186.75003	6087.148063	6324.733115	6618.669976	6654.374131	6234.933467	6377.882068	6326.020931	6015.380805	6588.855099	5906.333837	6479.320348	6572.095234	6403.714605	6232.809949
7.26_401.0054m/z	401.0053652	7.260533333	neg													2750.908199	2331.727585	2504.376253	2479.311208	2442.665438	2324.404439	2718.734941	2430.851295	2896.754408	3167.385369	2576.49672	2351.745403	2939.23324	2776.844256	2553.921086	2891.893163	2585.045744	2684.807486	2164.290727
7.26_416.2290m/z	416.2289688	7.260533333	neg													717.315107	507.5877865	677.9921913	1329.117052	343.6198005	837.2277604	543.2155179	752.2151709	503.8638514	392.7171995	530.3387674	772.7643119	797.3355176	711.2812268	643.6811763	542.6176219	698.8188403	938.8026884	858.3979766
7.26_421.2208m/z	421.2208132	7.260533333	neg													17858.50507	14748.30595	14613.23507	26780.55131	7770.880722	18255.40801	10972.33933	18215.68696	11777.0868	10401.79135	12929.52601	17670.41475	14119.05317	15889.48393	13650.07115	15302.46207	16978.72209	19062.78642	20399.92662
7.26_428.9614m/z	428.9613681	7.260533333	neg													2888.570451	3044.815566	3113.066149	3794.78771	3193.115292	3402.9315	3370.47516	3516.58825	2905.318577	4178.339428	3474.66937	2997.58422	3482.866735	3436.180337	3107.607608	3612.40243	3292.840495	3448.652094	2788.306198
7.26_438.2106m/z	438.2106301	7.260533333	neg													738.643247	512.5881207	601.2667602	1102.333172	318.6134652	834.3980659	369.7572227	819.3194879	435.6987763	516.3958033	617.0548563	677.8652851	701.3523463	505.906002	564.5180801	700.5062389	778.7384904	787.8355831	651.5702288
7.26_557.1956m/z	557.1955984	7.260533333	neg													2559.818003	1910.675899	2409.77928	4512.804136	1364.173435	2982.168295	1397.930635	3162.266868	1798.47467	1710.460748	2308.065571	3029.352454	2298.153004	2639.862742	2551.699177	2542.568747	2878.737458	3416.848119	3279.579935
7.27_1057.9226m/z	1057.9226	7.271516667	pos													17123.96489	19464.23345	17176.44807	23668.76873	8313.018003	23753.0449	16029.00343	17345.28671	16641.55637	23445.76707	16211.2331	10635.45079	10882.74137	17942.56118	23642.08203	28862.17953	11152.00044	17361.27227	10178.23909
7.29_111.0392m/z	111.0391647	7.292166667	pos													454.2108436	471.6571683	497.1324708	380.8091494	421.1904377	404.6640512	381.9902853	348.2000322	424.9934008	436.5054167	423.9050913	574.2253137	438.2995115	545.2342368	496.3223534	484.5265981	290.513615	428.1489967	432.7504189
7.29_190.1566n	213.145944	7.292166667	pos													35796.57636	27430.68736	30269.9913	29530.27126	27179.78734	27808.08616	29439.12043	29831.59586	29492.95659	33635.45579	35692.53736	31186.11715	36470.87757	36653.97412	37143.87265	34463.33986	30627.15639	28412.47754	27237.7677
7.29_271.5404m/z	271.5404104	7.292166667	pos													2510.918539	2415.555295	2676.770441	2372.92968	2366.876393	2589.382549	2476.458992	2643.610621	2849.847387	2760.065191	2350.483634	2375.994717	2192.383375	2683.99907	2553.374334	2256.15661	2974.074504	3145.29796	2459.937094
7.29_272.0421m/z	272.0420565	7.292166667	pos													460.2101985	394.0225825	428.9799194	465.8885923	519.0984182	471.3919173	724.618384	336.0280467	668.5570393	441.5025222	344.0934816	700.5375402	623.7473833	538.5177769	661.4247164	397.4196412	496.2061914	624.2581437	301.3654475
7.30_517.1155m/z	517.1154596	7.303466667	neg													1510.989923	1365.406661	1262.851436	1363.425275	950.5185121	1290.584163	1499.446579	1644.079143	1244.788087	1340.590694	1072.34628	1764.217712	1623.983034	2031.637842	1475.085982	1317.22547	1546.041171	1009.231526	1782.901819
7.33_891.2549m/z	891.2548632	7.33245	pos													10890.86436	12284.10225	14648.7887	12038.45633	17659.15725	19929.04899	11397.59425	28764.47117	20665.71472	21622.36095	16039.68695	11650.62465	9311.426114	10726.35679	6807.454847	17587.96206	8025.774822	9260.64498	9457.518487
7.35_222.9992m/z	222.9991665	7.346516667	neg													1793.922452	1779.251669	1621.733246	1665.866376	1729.231659	1804.129054	1943.04006	1920.688157	1821.142235	1916.945394	1950.128937	1787.466528	1916.978416	1748.554472	1990.574277	2005.516265	1799.71983	1836.914551	1718.039306
7.35_244.1373m/z	244.1373161	7.346516667	neg													9963.979351	7219.108278	7177.444484	4304.444189	9470.583908	6994.63588	7933.078048	10996.36482	20504.01145	8919.719893	5174.879627	7392.712857	8977.26973	10979.34963	6049.587444	7885.58035	7430.955447	3370.874378	4833.078761
7.36_232.9862m/z	232.9861906	7.364933333	neg													1236.395603	969.4189694	940.542252	1048.896165	1020.771743	937.3594593	919.1968378	728.3338143	963.6380386	951.1230652	1020.598416	919.2997574	878.6008675	868.3011443	1159.378306	1158.830801	888.2836621	990.4120048	856.815204
7.37_152.0163m/z	152.0163107	7.37085	pos													1817.262744	1582.130566	1817.546494	1922.3852	1666.291013	1773.86616	1743.589618	1919.981389	1948.708821	1870.584788	2101.122295	1658.832742	1981.463469	1645.701864	1908.94679	1764.699448	1381.767001	1793.590535	1826.217008
7.41_714.8441m/z	714.8440818	7.407616667	neg													6039.022906	7254.212431	7082.003966	7687.380989	7470.114776	7209.679877	8347.49304	7417.151812	7218.626306	8119.216641	7750.758003	6510.280182	7771.163309	6856.6126	7867.385268	7815.142731	6173.694703	6789.023316	6591.877346
7.42_300.9915m/z	300.9914659	7.419016667	neg													1608.481415	1554.89645	1661.505085	1590.29365	1571.752834	1756.542039	1933.417404	1404.376523	1826.373841	1569.512639	1933.617548	1543.001667	1541.29544	1503.956208	1859.795246	1759.311239	1443.307304	1498.37102	1428.526925
7.45_172.9401m/z	172.9400543	7.45285	neg													527.1525951	566.2494183	593.321767	439.8871876	519.7114167	568.2654417	481.4422623	475.1952006	697.0703929	538.235657	433.7893987	514.3730967	456.262545	418.5289441	561.6695278	609.4244492	500.8814735	467.4272468	503.9200119
7.45_237.1738m/z	237.1738113	7.4523	pos													851.9676322	1114.943085	902.8463192	599.5363768	1372.962828	1843.141945	831.613392	1149.928725	960.3959695	1263.737411	664.990494	916.1907151	876.2495821	782.5170853	1006.790892	749.1358299	840.6262851	758.5942098	797.9024373
7.47_219.9953n	264.9914873	7.469116667	neg													32592.91358	32387.53429	33863.81904	32549.16121	33254.03189	36975.23989	33006.36698	36550.95006	34519.03484	35116.74253	38029.07819	32527.9165	34391.74053	32337.72575	33596.8951	34667.14076	30770.37274	34496.67248	30329.64076
7.49_116.5242m/z	116.5241915	7.492083333	pos													1625.215076	1708.24523	1777.18792	1899.246144	1740.274733	1827.676958	1719.254305	1797.166152	1868.532744	1884.172771	1919.790941	1767.445922	1663.22489	1757.886167	1982.705636	1843.31034	1759.524177	1944.1611	1855.79866
7.49_238.9944m/z	238.9943512	7.4858	neg													3102.935371	3305.768802	3190.434289	3077.776021	3170.619883	3638.645853	3139.455033	3431.411039	3366.405507	3493.838204	3585.827995	3108.033346	3202.490974	3078.151656	2859.866755	3129.242875	2765.341875	3323.063813	2840.388004
7.49_240.9900m/z	240.9899529	7.4858	neg													4514.312292	4363.944571	3995.789508	4374.489789	4638.212008	4471.299634	3919.798037	4145.23894	4275.391847	4557.057657	4484.207441	4328.306049	4674.53042	4491.821085	4410.162536	4286.095234	3886.067347	4764.083828	3640.705396
7.49_325.0127m/z	325.0126915	7.4858	neg													3493.666053	4111.621214	3973.471895	3649.000782	3621.692612	4270.566312	3750.482219	3860.625848	4235.629095	4143.905686	4397.187668	3962.0861	3924.45344	4252.485775	3758.537054	3667.296729	3669.107048	4025.541282	3574.839301
7.49_419.2051m/z	419.2051405	7.4858	neg													16720.84783	17653.91845	16728.26315	18907.6983	12044.97986	23957.1217	9698.441188	22629.92822	9357.437657	15100.70214	11871.94897	10475.2639	35002.08481	23693.34925	20566.8374	14704.791	15366.8678	15118.78929	20728.50752
7.49_436.1952m/z	436.1951558	7.4858	neg													755.1128914	718.157694	824.4199415	825.9964123	478.1886461	1013.121304	457.621399	1018.621347	356.5482185	813.3779975	585.5489908	309.2807777	1954.735221	1094.611798	825.748501	639.1553933	566.3395036	867.5529384	1026.816312
7.49_623.1675m/z	623.1674574	7.4858	neg													1285.822084	1161.838324	871.0652778	886.4640897	698.2292679	1552.679888	581.7012513	1904.199702	498.9035667	1175.806884	760.1105291	253.6732544	2608.68958	1589.350436	1243.01641	1015.566078	1031.15801	901.1762237	1757.469841
7.49_991.4908m/z	991.4908023	7.492083333	pos													8131.029974	8853.643962	5493.866636	9001.319405	6969.959122	8642.257903	3164.358853	12016.3155	3908.974086	9133.294836	4904.906455	10121.72689	16218.00619	6279.815609	3557.658248	12823.04134	6086.802905	8703.919423	8868.577061
7.51_370.2316m/z	370.231629	7.511033333	neg													482.8804066	603.3589674	390.6518197	749.0128357	87.17636096	428.0462443	138.4016792	215.4813709	42.39615556	105.4091073	329.7730267	728.7341986	143.5027786	309.3508108	439.6394731	296.4170679	532.2258984	658.1716746	701.6346558
7.52_475.2676m/z	475.2676272	7.524733333	neg													1710.206411	1876.477728	1844.410935	1740.926132	620.1498248	1401.3942	408.8009445	0.000297236	0.000297236	5507.838744	862.3383855	0.000297236	685.5226226	1265.205165	2765.492451	941.706877	2036.685684	5316.157455	647.8951783
7.53_287.2211m/z	287.2210593	7.53105	pos													18181.67308	17383.83363	18444.72202	18382.39269	17170.62449	17438.93149	18729.16699	16824.37903	18787.03031	17594.92149	20093.91173	17771.83931	16934.69974	17283.66302	17730.28565	18855.3151	17783.08068	17635.52395	17477.57362
7.54_251.1261m/z	251.1261481	7.541566667	neg													492.7366563	750.7956648	554.6104202	352.511265	749.7060665	718.0268819	383.8570247	899.2407388	1072.058326	521.9754321	532.5755746	357.0929716	646.7453486	419.150393	460.0611589	393.525735	457.854	303.1318165	703.0600061
7.54_310.9970m/z	310.9970067	7.541566667	neg													8064.028505	9036.115553	8855.093805	7716.510851	7888.753939	8480.686401	8049.173914	8761.502514	8247.919323	8325.079182	9203.499683	7947.565809	8237.257927	7964.871531	8162.732312	8235.80894	8272.670893	7788.187569	7265.972862
7.56_344.9791m/z	344.9790522	7.562616667	neg													1661.595994	2168.872329	1653.506634	1935.230268	1811.430412	1759.521586	1821.725866	2257.507624	2010.54593	2113.53515	1997.678304	1860.308109	1838.143601	1991.030699	1772.672243	1638.171754	2127.96443	1889.532816	2054.991975
7.56_428.9614m/z	428.9613816	7.562616667	neg													3498.336851	4478.441612	3591.66141	4101.040356	4507.391215	3927.744914	4051.742902	4631.257476	3883.028395	4478.930639	4383.72621	3814.072414	3629.742646	3826.25714	3304.818428	3481.627554	3658.345173	4092.358247	4089.377988
7.58_173.1171m/z	173.1171064	7.5838	neg													2162.51333	1875.625403	1780.25491	1871.705064	1932.679862	1738.687674	1973.511302	1969.548784	1834.357633	1941.704853	2033.90945	1951.44231	1934.294272	1980.170806	1940.790332	1779.849923	2139.247878	2117.267375	1981.308495
7.58_200.0111m/z	200.0111392	7.5838	neg													789.3189981	696.7864327	929.0978095	730.9647917	662.7135868	730.5573303	864.7252675	762.138797	862.333292	794.9973321	808.6140964	847.7567556	882.1885422	884.9016056	906.3881047	903.9282474	991.6760172	948.5029846	791.2039091
7.58_285.1261m/z	285.1260764	7.5838	neg													1659.836829	1544.447713	1430.789471	1562.646185	1426.399732	1445.318544	1454.944333	1860.615134	1484.588001	1545.287599	1645.877451	1465.602013	1378.252463	1349.944671	1463.873779	1432.889853	1637.223095	1665.875854	1454.566613
7.58_350.9282m/z	350.9282169	7.5838	neg													845.0885556	1123.737165	811.8063815	936.9521414	928.1710811	842.4235058	1285.891666	1218.718209	1062.971764	810.9170152	1261.399147	590.7222755	809.422399	864.3987988	755.4204116	862.4167643	891.2538241	881.9951207	860.6516243
7.58_501.8633m/z	501.8633027	7.5838	neg													6332.358046	6778.599488	5576.535391	6299.717866	5875.50411	6128.58831	6605.047963	6896.622143	6738.941648	5954.753343	6952.852271	5846.705889	6824.579794	5907.070095	5526.610904	7025.317733	5658.44858	6329.39562	5901.256889
7.60_324.1606n	369.1553343	7.597883333	neg													2162.138728	1969.047108	1741.47979	1972.927681	1871.023716	1394.709927	1726.409618	2928.968888	2386.953478	1663.843535	1882.783374	2176.968142	1226.722663	2182.964281	2670.946954	1705.87656	1951.324528	1809.062173	2055.298689
7.61_222.9991m/z	222.9990667	7.609683333	neg													978.5249487	794.4110081	770.1775017	757.1568718	827.3195712	652.9329271	801.4043552	810.1352512	705.2328712	770.8474341	565.9494771	662.0967533	612.2254212	568.7317414	845.4341714	904.3433874	736.338459	619.0461506	652.9527981
7.61_990.3935m/z	990.3934574	7.612416667	pos													4985.555909	4370.520148	7322.560272	2977.838207	8445.058128	11659.92874	6003.039657	8055.122974	9880.43323	6931.112208	5017.172134	9753.008755	6325.640984	5849.43999	3617.300603	6183.017995	732.7622909	5269.349389	3753.487799
7.62_376.9853m/z	376.9853368	7.61815	neg													3434.825627	3410.788056	3006.758662	2796.100802	2771.753139	2755.730585	3206.350276	3482.12236	2931.244348	3074.461594	3348.241682	2924.395389	2828.8432	3042.586197	3059.345033	3144.796333	3031.45427	3239.479704	2968.706481
7.62_421.2209m/z	421.2208742	7.61815	neg													3138.067545	3570.521418	3088.999878	2725.826755	2073.435824	3225.36641	2147.510861	2821.564074	1162.441568	2148.484792	2236.753696	1869.525379	5742.488259	4640.952023	4392.241578	3136.212472	3106.691577	3342.638395	3420.610847
7.63_507.8758m/z	507.8758295	7.633333333	neg													2149.477286	1330.193329	1655.320998	1256.593345	1502.582503	1893.033448	2279.60787	1516.919041	1797.936183	1419.785674	1545.947751	924.5650101	1335.182239	1534.080321	1705.689255	1904.448851	1690.402957	1296.808029	983.1734319
7.63_991.4897m/z	991.4897283	7.631983333	pos													8563.846985	8833.564316	11724.91357	10379.25958	5247.234524	5193.337185	2331.30741	7012.006926	11229.47275	8651.595163	6349.17309	5355.625996	10202.84691	6023.534491	3673.006019	7986.550435	7605.803551	13378.62891	14522.17465
7.64_296.9977m/z	296.9977219	7.644766667	neg													10367.31193	9894.938252	10079.98658	10452.88371	9707.984813	10188.7273	10795.64155	10337.90433	10794.77423	9901.609269	11589.26879	10687.65654	10660.23385	10754.32132	9617.006676	10502.17032	10300.26015	10519.88414	9843.463046
7.65_118.0396m/z	118.039593	7.654933333	neg													307.645297	181.0928619	308.5876986	318.2088871	246.3756054	306.7439274	209.6108586	230.8983803	306.5361097	217.2995378	312.0156458	438.1269717	371.4506707	335.1708728	274.9307605	320.604876	278.3255801	284.5603016	299.1511842
7.69_187.1329m/z	187.1329008	7.6869	neg													840.9551448	658.0107607	766.5362154	865.3016691	615.3535156	797.8283457	667.1826169	894.2419932	786.6348966	622.4343053	780.1093386	959.6171827	829.6346668	842.3944156	778.1814891	887.6176666	743.5933425	749.4028879	875.7996489
7.69_238.9943m/z	238.9943444	7.6869	neg													2126.036018	1957.43067	2183.759494	2280.003961	2155.25418	2143.915401	2181.57617	2392.211045	2244.632602	2170.490653	2723.532634	2355.481212	2468.431313	2185.758314	2155.603829	2529.224021	2167.231602	2427.936134	2183.374261
7.69_346.1692m/z	346.1692028	7.6869	neg													634.9460923	781.0412296	559.183698	540.7427901	754.0554071	1624.738545	509.3080431	1073.033152	1041.092913	684.4350491	181.8284419	82.96303795	727.1860236	199.6159774	284.3685914	286.0251691	472.9912948	834.768229	439.6854754
7.69_953.5374m/z	953.5373577	7.6869	neg													15577.85179	12371.45694	13670.89485	15407.70629	16164.98793	14812.68432	15510.8313	15188.25899	12616.81389	10845.50063	12740.11217	13120.25992	14517.2981	15079.96325	14827.01212	15859.63873	14970.98431	15332.01036	13235.67015
7.71_222.9992m/z	222.9991506	7.705566667	neg													513.4533313	647.4596089	651.5003029	674.1684083	776.0991774	714.8046231	638.2412046	716.9676687	582.9832971	678.6717723	867.4639223	710.6396482	844.8257979	733.6215487	613.2269226	816.2895264	613.2248218	789.7010243	547.5645797
7.73_227.1638m/z	227.1637864	7.7301	pos													8306.542798	8773.213795	8499.084439	7965.034192	8057.047526	9235.092554	8341.539145	7459.850201	8542.579339	8510.403101	8318.24828	9658.046927	8108.965705	9154.432526	8513.51549	8391.196586	8029.166314	7950.501384	8025.313382
7.73_419.2053m/z	419.2052775	7.732583333	neg													1094.972376	955.8085209	1195.390466	1313.684655	642.1992443	883.4805485	654.8864604	2364.962552	544.5579806	274.7005927	823.5885522	3992.773636	410.6212776	689.233372	603.5094129	693.6170997	891.4766973	1485.332703	966.7174274
7.73_515.3049m/z	515.3048773	7.732583333	neg													681.8012301	913.4436333	627.4634851	881.6511894	337.1594454	420.8295438	997.8747883	0.000297236	0.000297236	279.5583754	1215.875519	170.1235377	386.4648692	563.8820327	4346.333136	854.0491321	1160.235884	2160.274603	543.1804026
7.75_1057.9229m/z	1057.922863	7.7503	pos													9779.103275	6482.898208	9131.892143	7576.83098	5693.558186	12219.98857	6536.543586	14339.85294	12393.1343	6828.976321	7598.596282	1781.244215	12207.67903	12188.72951	12143.44878	10417.38013	4573.059286	18165.85912	9974.910964
7.75_245.1028n	290.1010047	7.749183333	neg													1671.50902	1212.733176	1596.24898	1637.307742	648.2568766	1535.353681	1785.136697	1742.303483	2541.214537	1046.015464	2278.351088	2973.053237	674.9126751	1030.674511	1349.362664	1166.132205	1515.898396	2223.36604	1004.597832
7.75_464.2823m/z	464.2822922	7.7503	pos													1468.286227	1480.78357	1806.518668	627.2548105	1310.151423	672.1866511	722.0642004	1046.281884	990.6503198	764.1130324	734.8503544	350.5172961	1173.800001	628.1192784	13350.34102	868.8042591	1392.309037	4546.625324	986.4265505
7.75_496.2740m/z	496.2740068	7.749183333	neg													2359.045535	2053.522617	2148.24222	711.2629834	1410.768572	2448.362735	767.8490434	3137.905304	2920.830008	2434.946114	1006.869457	450.2337503	1045.548751	1205.645242	9901.708458	1097.847189	2386.118845	3976.863788	676.1878475
7.75_498.2896m/z	498.2896139	7.749183333	neg													30813.37802	31203.94512	30646.36708	11405.85938	28222.99115	15358.84461	15194.0133	24533.10061	20687.53697	19238.02072	17835.8436	8885.329346	18742.53708	15333.86566	166500.9784	16831.11454	27615.95392	57695.51641	20827.31816
7.76_150.9815m/z	150.9815383	7.763766667	neg													456.1467812	525.6098257	524.5933877	397.6614443	635.472908	417.234504	635.433026	493.9317534	497.5530198	556.1765934	646.2127698	396.3310199	432.2355706	576.647555	504.4775724	446.8126863	420.9611469	569.9011706	551.3752984
7.76_178.1226m/z	178.122603	7.763766667	neg													1149.176405	1106.126603	1144.063295	1093.953065	164.1131336	305.6116456	1516.016115	1602.311722	3126.807743	283.5514535	1976.015017	2931.157758	179.7099013	178.2796287	761.0439242	550.2008405	857.0673642	958.7463338	150.7471767
7.76_339.0083m/z	339.0082699	7.763766667	neg													1451.685269	1692.292898	1460.22658	1095.907096	2044.411068	786.8823037	1467.796689	1457.003078	1383.76548	1405.203218	1905.727045	1067.5352	1099.226626	1428.527737	1493.945088	1222.925033	1503.647554	1778.172854	1407.379965
7.78_274.1846m/z	274.1846254	7.783116667	neg													2231.573783	1820.848668	1809.677332	2153.3149	1820.999892	2005.647323	3079.232615	878.4680881	1282.857491	1341.683739	3011.700254	1351.935254	1652.718347	2341.33894	2211.03698	1465.930871	2326.469751	3240.736286	2793.413024
7.78_395.2704m/z	395.2703659	7.783116667	neg													461.8676154	347.3180867	439.8399334	155.2782088	198.326633	0.000297236	184.9229574	0.000297236	710.9552285	0.000297236	201.4480044	495.3218303	61.13310521	365.2956177	1984.808231	151.763703	496.0457257	764.8878619	256.516509
7.79_176.9716m/z	176.9716077	7.791333333	pos													2229.659405	2407.486324	2408.326067	2369.944564	2255.232341	2278.637065	2235.331065	2383.420711	2170.32083	2283.748301	2315.797174	2425.830855	2376.053216	2333.300894	2595.281619	2643.92073	2568.736086	2527.231945	2531.263534
7.79_258.1652n	276.1988238	7.791333333	pos													20495.5275	21752.04102	21547.4028	25953.49083	14354.68853	22633.95784	30203.81487	8102.921433	17866.54782	13228.51762	32514.38852	17336.64174	19343.66161	28119.65718	27248.70695	20165.95183	27028.44813	28549.16367	28368.51201
7.79_427.3776m/z	427.3775585	7.791333333	pos													6127.681001	5177.725639	5129.309952	5657.892286	6346.844913	6743.768894	4994.741248	4953.764426	5764.444506	5440.159622	5731.227768	4980.422035	4627.200281	4949.242297	5642.405196	5617.267551	5269.953261	5283.436797	5785.204506
7.80_244.9850m/z	244.9849812	7.801516667	neg													727.4960111	1061.268347	943.1356201	1240.206811	1205.174008	1198.240815	1138.16638	790.4792019	1134.221293	1289.173243	723.1031415	953.3428491	708.9098113	972.0802828	819.7299235	1010.079659	792.4281323	839.1356793	1096.279579
7.81_258.2059m/z	258.2059477	7.812233333	pos													1285.016148	1808.184904	1729.743364	1767.576107	1641.413556	1943.42171	1618.568124	1898.158745	1495.0339	1990.992531	1736.767698	1774.571844	1977.191694	1781.149832	1723.82238	1738.323827	1813.482854	1915.564673	2024.710243
7.83_153.0108m/z	153.0108281	7.832266667	pos													2265.480301	2306.242739	2167.316548	2373.109328	2036.412031	2130.775087	2213.235433	2196.416127	2410.680082	2259.381914	2160.643335	2402.937766	2528.263106	2438.281857	2438.806528	2399.499607	2320.862307	2421.521945	2218.037995
7.83_185.1172m/z	185.1172019	7.8326	neg													2959.0864	3076.193512	2836.88802	2160.098852	2926.419877	4808.19554	2734.121969	2836.786906	5457.411048	4285.508005	2379.418977	2333.587138	2492.141941	2462.600783	2308.118759	1844.811045	1919.923027	1964.441464	2135.067346
7.83_264.9343m/z	264.9343402	7.8326	neg													1453.412197	1798.318428	1891.347851	2249.955181	2251.837505	2393.824982	2309.313537	1565.486918	2361.606897	2217.676045	1706.748755	1804.477836	1530.354504	2054.079632	1658.49564	1931.777371	1556.815518	1575.267278	2004.956905
7.83_278.9871m/z	278.9870869	7.8326	neg													1104.969485	1220.401662	1503.914796	1407.9704	1655.136412	1700.041447	1516.581058	1197.229702	1229.181055	1673.855357	1160.056749	1204.51586	1364.772835	1212.962913	1212.881728	1723.461214	1240.816739	1149.752871	1561.834572
7.85_501.8632m/z	501.8631937	7.847733333	neg													3611.3658	4218.305351	4571.734029	4636.585	4416.816578	5042.121368	4482.436511	4711.942186	4543.823072	5466.257788	4377.871469	3826.665699	3786.138824	3876.718927	3804.946181	4535.091868	3959.639651	4178.725036	4243.113341
7.85_933.3458m/z	933.3458481	7.8519	pos													4255.406705	4712.436833	5172.26623	3699.496012	3523.862452	10613.44693	11419.70664	676.2930961	2869.93214	6351.539542	9882.549374	5316.229839	3560.321067	6532.512905	4093.516377	7099.238453	8091.379974	9452.486859	11643.98623
7.88_332.1536m/z	332.1535995	7.876366667	neg													476.6453697	317.6295926	371.8139649	117.3241346	500.4260916	154.4522159	249.7949277	1822.232893	1200.543778	130.2865176	200.8568544	804.8694533	171.9109258	190.3864135	152.8600298	63.13628079	34.79463704	130.4337299	113.3440259
7.89_145.0857m/z	145.0856886	7.888333333	neg													643.470045	385.2797455	451.7708203	529.8301312	447.4872117	560.3830493	477.0897246	640.5708794	474.269971	422.3931812	578.6857945	525.0129293	562.9163091	520.604982	407.7842208	543.4761247	531.1115347	492.4326778	384.8900283
7.89_176.9610m/z	176.9610287	7.888333333	neg													1711.018657	1161.971251	1445.731522	1457.408766	1571.325637	1743.637307	1477.811864	2040.112208	1286.484318	1282.512621	1961.917407	1493.49761	1545.316539	1402.336845	1178.334412	1619.621914	1607.631982	1414.817155	1209.370026
7.89_342.2108m/z	342.2107725	7.888333333	neg													554.5867406	476.671622	637.9735184	584.3404983	400.8915501	329.4045312	867.4595393	300.5602156	310.5246585	257.2836641	934.5644903	679.1781189	546.1694014	537.6818396	626.5029002	756.8632367	576.7924134	1056.330654	514.7903426
7.89_714.8440m/z	714.8439936	7.888333333	neg													19907.7953	22680.2792	20940.8051	22083.00065	22784.6124	23125.33035	23661.52791	25642.88697	23196.9932	25444.72212	25284.97211	20270.26074	20272.91441	21177.91247	19517.27891	23095.86902	19535.55192	21451.41339	20218.35383
7.91_158.0026m/z	158.0026396	7.909816667	pos													1971.145907	1614.259874	1909.889816	2003.32931	1693.581433	1755.174984	1836.531854	2040.374706	1574.788008	1910.531305	1943.747898	1851.744428	2005.457097	1766.486378	2202.092724	1948.597239	2468.282496	1986.616414	1753.618859
7.91_200.0111m/z	200.0110822	7.911933333	neg													1371.094977	949.4483563	1108.449925	1179.982027	1228.261537	1247.53958	1137.149075	1229.463514	1037.469198	1162.384805	1058.448837	1105.067987	1186.522711	1141.681377	1123.546804	1336.492455	1161.563586	1055.528949	998.9792657
7.91_428.9615m/z	428.961487	7.911933333	neg													2219.807258	2170.866016	2165.393706	2225.036024	2525.393004	3217.617731	2430.837471	3550.288862	2363.462083	2362.066466	3191.642792	2671.173177	2461.8284	2142.335568	2137.436894	2761.92287	2539.345496	2551.573354	1961.166586
7.93_256.9852m/z	256.985154	7.9283	neg													1728.291385	1643.764356	1315.69594	1481.484823	1879.60537	1789.396152	1754.320097	1995.996121	1310.498314	1470.058808	1880.570963	1376.588754	1554.932164	1645.503469	1430.668631	1648.174397	1605.631855	1472.975687	1201.058966
7.95_298.1844m/z	298.1844447	7.949566667	neg													973.0278204	569.4544919	684.8956614	593.3814223	531.7800766	736.8063686	1141.80894	1133.629575	1279.251779	403.3856555	1651.396349	1159.317787	430.3129791	759.2757886	1058.434286	687.1207055	864.5929255	1037.47763	578.1612793
7.95_300.1987m/z	300.1986994	7.94965	pos													5783.307833	6154.642148	5900.889014	6247.792021	2588.793374	4682.331292	8075.771751	5718.926531	7721.948081	3229.943317	9636.752206	8247.198122	3307.780693	5187.221706	10104.66199	7105.571666	9015.954132	9217.788625	4961.070022
7.95_507.8758m/z	507.8757889	7.949566667	neg													3971.355738	3290.114329	3193.086409	3232.305821	4560.817038	3512.02051	4090.705861	3723.659048	3532.211938	3519.208998	3918.579811	3579.059329	3402.727581	3627.879309	3081.576344	3029.87209	3153.45034	3352.087817	2620.002723
7.98_339.0081m/z	339.0080616	7.978666667	neg													1693.764287	1412.51292	1364.002946	1017.386377	1502.050468	774.5028334	1232.234156	1069.640344	1074.568389	1400.291489	1228.026077	1088.954795	1416.067309	1260.592778	1360.045168	1185.981805	1112.439959	1481.715588	997.2899077
8.00_187.1329m/z	187.1328933	8.003933333	neg													8662.759439	7565.813688	8627.624913	6394.854777	8096.589824	4884.033511	5175.86076	7474.072641	10207.79315	4022.451297	7128.751242	7870.851	6204.650624	5688.018935	12027.86925	7189.269269	7381.248876	7372.479165	10605.0815
8.03_714.8440m/z	714.8440484	8.033616667	neg													8961.982364	8218.47216	7977.487528	7286.004695	8711.252038	7764.671421	8639.920722	5760.332315	7609.107949	9613.856012	9722.430748	6999.743211	7753.632884	7821.566712	6923.785463	7390.397408	7014.495323	6829.680381	7575.716143
8.05_222.9991m/z	222.9991349	8.04555	neg													836.6141634	908.2505149	965.9396057	1152.685222	879.1585506	897.1171583	1169.663821	762.9052888	1080.451386	1043.022082	1363.076186	1218.307571	990.0037303	1018.522975	806.5499208	1088.93802	1069.751981	1102.710561	1045.855718
8.06_240.9900m/z	240.989987	8.064083333	neg													4557.403271	4485.128266	4572.861228	4181.507448	4617.995807	4368.22718	4608.420586	4004.664677	4621.003239	4905.098925	5044.342192	4415.937809	4343.887455	4558.808724	4089.235963	4338.72582	4260.380266	4280.674481	4243.780478
8.06_498.2896m/z	498.2895962	8.064083333	neg													39021.16718	40659.07486	38248.00264	15898.97365	43000.37969	43136.7619	10370.67202	848.2174532	5032.473495	41515.09395	21290.69903	1604.612849	22443.29325	19417.45264	228160.9041	24642.19528	59437.68016	95171.40451	10960.28872
8.06_566.2770m/z	566.2769876	8.064083333	neg													4658.818567	4919.785702	4785.725401	1717.641267	4712.116642	5065.884585	861.9227786	0.000297236	355.7350266	5032.336524	2244.269317	0.000297236	2348.479194	1765.078298	30492.72499	2893.828849	7078.007201	12754.51835	855.3210804
8.06_634.2645m/z	634.2644644	8.064083333	neg													1212.89215	969.1819932	1244.513996	250.0822368	1525.406995	1518.736507	0.000297236	0.000297236	0.000297236	1090.743669	280.7039873	0.000297236	462.6165904	429.3169014	9782.627457	784.4459655	1849.530904	3487.379947	149.9221346
8.06_673.8755m/z	673.8754791	8.064083333	neg													7293.629129	7122.058548	7049.144362	6585.844162	8347.025816	6493.435844	8124.406904	4815.989822	8555.639318	6239.189333	9274.331208	6446.393607	7363.811075	7614.60728	6277.157937	7417.018564	6766.137917	6539.835371	6963.010792
8.07_153.0108m/z	153.010776	8.069616667	pos													2781.489759	3327.593838	2935.190822	3050.177927	2813.523727	2825.185591	2644.207226	2700.376855	2853.531444	2778.905184	2804.419485	3117.81267	2864.634211	3833.582995	2903.700752	2972.977891	2806.952631	2973.464711	2752.724541
8.08_507.8758m/z	507.87582	8.077566667	neg													4390.87816	3810.978266	3632.285844	3945.231651	4919.943363	3998.077644	4295.931979	2686.174432	4306.084528	3814.866342	4707.180314	4015.680379	4739.223364	4300.280786	3495.698548	4115.390528	4328.917749	3496.201881	3642.87182
8.09_116.5242m/z	116.524207	8.08995	pos													680.6176068	625.4287292	579.7485674	621.1577557	581.8612955	506.122804	561.5130561	692.4822826	541.5563462	724.4031069	712.2311821	674.3146876	643.6793443	764.5774	635.3809096	699.4381623	619.9807757	646.4054108	513.7778535
8.10_118.0396m/z	118.0395734	8.095966667	neg													244.9004767	361.1216099	219.2685148	266.8397068	312.7419705	364.1682022	266.4472756	149.1077819	261.2235841	382.8886365	394.5294482	278.7632266	279.0550683	345.8420247	292.5545085	321.1128109	347.0079863	219.3897092	195.2226894
8.10_419.2052m/z	419.2052018	8.095966667	neg													1242.859292	1209.071945	976.3446279	2080.347855	369.3776442	1494.722158	535.1947432	246.2599006	164.1385874	608.6413065	1142.720003	839.1731515	622.1527151	802.9200953	996.3514376	1391.984533	1246.008787	1759.368336	1407.865698
8.11_145.0351m/z	145.0350806	8.109116667	pos													1516.268167	1232.585386	1353.85254	1191.512905	1213.806768	1266.699625	1328.329669	1357.116989	1301.418475	1221.735639	1396.253079	1056.219417	1352.712341	1695.447619	1320.052499	1410.316499	1378.762496	1346.722893	1232.316835
8.11_193.0860m/z	193.0859789	8.11415	neg													12347.47765	11289.42521	11189.10657	10832.17905	13690.45584	11897.99058	11380.15545	11448.09396	11659.96136	13657.68079	14224.40801	11930.27007	11974.07713	13404.61336	10428.00451	12509.9526	12602.2142	10766.00742	9968.253929
8.11_211.0352m/z	211.0352493	8.11415	neg													1694.335775	1274.243883	1331.62515	1269.436401	1606.448644	1293.921295	1235.448147	1016.963037	1299.476717	1524.17332	1612.999199	1661.287561	1572.997672	1610.688835	1261.142262	1662.387426	1604.430203	1344.241684	1171.428582
8.11_227.1881n	250.1773329	8.109116667	pos													395536.889	355130.38	373419.6761	374165.4238	357156.7046	370659.1199	374483.4338	369246.2381	376101.7246	385367.0441	405808.2126	378049.3385	386110.1615	386577.7137	391467.2823	396024.7509	402927.6354	390190.3918	371540.8044
8.11_290.1973m/z	290.1972773	8.11415	neg													5412.788368	5740.866553	5497.79609	5074.157045	5649.348142	5331.982198	5523.63293	4922.27426	5450.456657	6010.182335	6375.158438	5285.657183	5843.790119	5765.737103	5347.558853	5568.836204	6113.642093	5422.481141	5095.635476
8.11_356.9991m/z	356.9991416	8.11415	neg													3159.26269	2424.960053	2549.322959	2542.392071	3044.692733	2615.255241	2482.862142	2315.000153	2548.348635	2855.537472	3021.725161	2497.044913	2966.896768	3104.67626	2512.788324	2908.913517	2621.650404	2125.196034	2073.756717
8.13_232.9862m/z	232.9862186	8.133783333	neg													822.598182	707.5976775	665.0271596	711.9000953	906.3645551	654.8798128	604.9034198	702.914068	747.5443537	671.1305766	930.1278464	503.7811983	910.5454604	892.7625169	723.039173	672.0979461	740.6371808	694.4961869	627.147197
8.13_268.1879m/z	268.1878694	8.1284	pos													7635.703548	6127.795011	6678.131991	6022.369432	6196.391135	6423.633829	6622.873629	6478.597213	6787.330768	6861.473357	7132.459132	5280.195953	6690.054695	5138.402186	5774.202237	7071.741042	6096.882123	6310.559734	6296.080569
8.13_273.2531m/z	273.2530982	8.1284	pos													19306.19026	12904.6871	16542.09322	16785.77814	16195.71104	16967.92037	17475.46111	16558.72355	17834.65137	18816.07573	19709.44493	14650.5048	14926.68692	15251.75056	14789.07048	16011.19925	17021.24745	16903.29423	16271.87542
8.13_344.1535m/z	344.1535145	8.133783333	neg													3082.320143	2781.696817	2896.787326	3028.41401	5463.688493	3168.097834	2648.773572	1647.296145	1256.39172	4857.166542	2268.185357	1211.136801	5634.672412	4626.659125	3468.557621	2082.100844	2720.087588	1669.258665	4609.343069
8.15_430.8622m/z	430.8621512	8.14505	neg													3344.932481	2605.858834	3357.298477	2796.877022	3358.554357	2975.630928	3379.6655	2811.535304	3183.321318	2832.54925	3776.958874	3133.677307	3139.42885	3604.3893	2637.638482	2929.161078	3273.303038	2798.644448	3138.619392
8.16_379.2489m/z	379.2489498	8.15975	neg													335.5503707	230.8305212	354.0121333	279.0580277	0.000297236	134.8084703	0.000297236	1316.54275	662.9351943	0.000297236	189.4589838	570.4389863	0.000297236	111.9700425	100.3372415	172.6759655	270.7928021	260.5833879	198.9766775
8.19_152.0163m/z	152.0162878	8.188666667	pos													2944.031215	2288.612964	2489.15	2406.897075	2292.239487	2505.866746	2340.959193	2457.926062	2483.885445	2515.278682	2437.213558	2467.329046	2447.947282	2387.901316	2588.933491	2442.253919	2331.397985	2690.076907	2215.279568
8.20_421.2207m/z	421.2207343	8.204966667	neg													1034.701851	1224.51456	1147.341757	1358.037557	585.99188	974.6124398	1002.917847	72.99532738	0.000297236	381.5037336	418.9104058	896.7188735	526.1003772	788.290313	1112.076954	849.9652683	1250.624535	2029.649243	1310.666833
8.21_271.2739m/z	271.2738908	8.209516667	pos													5454.002666	5427.239073	5096.387306	116.4917344	114.496418	147.9621853	0.000297236	0.000297236	0.000297236	0.000297236	156.1453558	327.2839663	457.5025145	0.000297236	0.000297236	0.000297236	0.000297236	121.6241542	654.3610687
8.22_118.0396m/z	118.0395552	8.2185	neg													363.4249969	399.2180814	358.0190797	360.1789206	303.5190652	293.332458	371.1036053	266.7959244	310.7759412	362.3748538	373.3150009	448.3566081	361.7074992	215.887692	362.28687	347.9508548	332.4828845	501.0691563	350.7361849
8.23_125.5294m/z	125.529432	8.229183333	pos													518.5567115	505.6960207	547.6756557	536.4618827	548.7678025	503.476393	459.3390216	525.7677508	547.9855268	609.0819526	619.2886448	461.5321045	552.6653949	484.1386313	663.4676623	637.1793818	532.6893125	551.3493273	444.5981542
8.23_156.0208m/z	156.0207935	8.229183333	pos													6932.396711	6762.454848	6530.1754	6797.281267	6298.164321	6387.516795	6137.581548	6062.001503	6386.408211	6227.309689	6549.396977	6011.444664	6944.293609	6572.121611	6730.00587	6718.156239	6582.935803	6502.67303	6144.721718
8.23_205.9355m/z	205.9354581	8.227	neg													1059.146688	1694.752635	1618.042526	1498.865219	1315.601439	1589.87217	1704.938863	1345.25316	1338.986323	1390.196143	1526.03874	1490.238093	1278.564537	1059.34761	1539.519222	1572.800305	1593.509737	2192.496246	1384.602506
8.23_501.8632m/z	501.8632115	8.227	neg													3173.578736	4039.708308	3277.350555	3356.019237	3563.996629	2996.022673	3818.444745	2523.697852	3173.652025	3601.983241	3505.266862	3862.911909	3479.129212	1865.484118	3008.382624	3433.024057	3448.754114	4208.741509	3470.146443
8.25_283.9894n	328.9876482	8.245016667	neg													5686.622402	7048.241906	6438.42064	7110.558491	5712.029691	6522.9476	7218.390689	6230.846044	6159.112442	6689.625948	7255.22006	7833.30151	6493.114477	5595.275011	6413.864696	6874.137375	5978.21438	6821.246784	6420.845501
8.25_356.9990m/z	356.9990495	8.245016667	neg													1258.818096	1285.290156	1314.441923	1740.372781	1383.849523	1613.585152	1572.664365	954.8594121	1373.998254	1647.194322	1716.901045	1726.695504	1287.505869	983.6543817	1362.072209	1637.781386	1305.628528	1274.409729	1262.815265
8.26_211.0352m/z	211.0352058	8.263416667	neg													2169.708509	1889.217395	1948.338903	1847.804862	1841.714022	1737.38376	2060.527722	1724.091001	1933.983387	2058.767674	2170.406919	2117.74166	2241.851673	1893.14891	1949.071328	2200.228998	1789.485223	2064.179078	1915.671181
8.28_248.0797m/z	248.0797055	8.278533333	neg													2361.658113	2031.68247	1986.784185	2243.890879	1998.093398	2061.882611	2414.410623	1797.821512	1884.204951	2038.474519	2355.176615	2214.363732	2031.652686	2097.962274	2032.657419	2230.953499	2097.531033	1954.024471	1865.321471
8.28_428.9615m/z	428.9614751	8.278533333	neg													2954.376558	3776.704022	3468.721397	2989.699608	3590.881472	2950.072958	3932.91117	3156.215075	3691.988495	4318.32015	4031.180644	3329.731588	3916.218383	3016.179743	3148.325555	3519.958337	2986.487012	2987.249782	2972.892768
8.29_200.0111m/z	200.01109	8.290383333	neg													1453.188804	1053.909996	1242.468397	1263.934759	1146.20506	981.686171	1266.721421	1029.24797	1195.65476	1209.348389	1171.772054	1328.833282	1293.130613	1099.397281	1263.725797	1170.294378	1088.721665	1371.854834	1243.134457
8.29_276.2801m/z	276.2801238	8.28965	pos													3651.458592	3567.347411	3332.225966	3849.840108	6489.632763	2091.760005	2464.963788	2987.778305	2648.166323	2883.290004	2941.672335	2958.957918	3271.641436	2248.289014	3152.68545	3383.426862	2313.849676	6594.046298	3189.727668
8.29_419.2052m/z	419.2052005	8.290383333	neg													2891.541044	2198.612394	2684.313632	2891.408112	1540.156675	3763.562349	3310.802063	329.5752772	282.3761078	1683.221141	1469.719901	1168.74402	2426.681139	3543.823619	2890.782433	2415.772877	2782.601247	2789.238243	2501.542928
8.29_515.3047m/z	515.3046724	8.290383333	neg													6177.676051	5178.090987	6511.3509	5936.291857	7821.261354	9159.342899	6419.01338	271.54393	5081.159997	7244.988057	6603.963256	2359.361439	5321.067235	4793.093047	9031.67417	3988.297697	4938.357547	8011.116427	5259.931575
8.29_714.8438m/z	714.8438172	8.290383333	neg													6471.53812	7667.388348	8266.848379	6523.999744	7160.532757	7716.794384	9301.266477	7547.254416	7222.023651	8781.401647	10642.70269	7373.768653	6940.062781	5642.95698	5689.152233	7788.599396	6913.824025	6498.539375	6693.967328
8.30_256.9852m/z	256.985178	8.3018	neg													9106.669106	7457.021111	8718.050938	7541.10105	7909.580649	8277.538547	8444.141158	7775.504982	8436.720086	10035.37424	9926.951036	8178.435016	7811.396787	7182.120629	7097.62561	8403.82289	6846.348236	8082.67026	7400.513886
8.30_343.0031m/z	343.0030972	8.3018	neg													3045.828565	2696.914352	2818.429268	2589.663783	2329.377139	2486.500876	2652.989095	2116.936159	2789.956067	3516.577788	3198.134294	2662.608623	2435.901022	2421.014522	1976.962418	2549.695663	1982.338786	2425.608763	2155.693527
8.31_111.0391m/z	111.0391457	8.310216667	pos													982.3871832	1098.943143	1063.968858	1063.463839	969.1684199	1026.876402	940.5844528	951.8285595	1030.145544	950.7168604	932.3880631	1140.214652	983.5708732	1035.968822	977.0075809	1055.830258	908.99755	1100.082013	895.6251972
8.32_258.1531m/z	258.1530958	8.3169	neg													3586.188437	2526.547535	3144.69576	1475.350547	4087.593863	2567.694709	3272.604803	5004.080347	8238.681883	2756.248698	2171.035418	3203.538384	3350.129302	3824.601512	2260.416481	2772.809903	2063.298245	1267.948981	1897.680717
8.33_260.1675m/z	260.167482	8.328866667	pos													16844.01382	20485.14487	19077.38681	8168.486287	23022.47174	15974.25196	18087.93247	27472.72269	46380.02166	14797.06931	11708.09669	19762.92467	20610.4202	25210.71698	15444.2801	17293.08554	13922.22943	7605.406042	11654.93412
8.33_287.2211m/z	287.2211219	8.328866667	pos													24248.78765	25246.47526	24323.04842	24973.84967	24174.18983	25601.14321	26212.3814	23878.39199	25124.43778	24675.31392	28071.74257	24410.70952	24603.82339	23397.56862	25519.82273	25220.34557	24268.2165	24375.02151	24504.43044
8.34_223.0278m/z	223.0277825	8.344433333	neg													546.9742897	657.8330292	541.65802	524.6020733	536.3502077	458.0739762	517.5934155	578.5413502	375.0497228	465.2516655	545.8679406	361.2601283	519.7983209	645.4923417	438.4421892	430.0606715	581.3727745	353.7496076	495.9142573
8.34_240.0665n	239.0592297	8.344433333	neg													10160.71978	12649.07333	10471.91465	9536.328226	9651.751488	8544.823471	9023.882353	10070.75501	8719.215922	9685.730162	11887.34399	8208.694027	9907.258455	10407.49404	8468.599302	9195.346474	9019.1955	8663.379454	8717.395015
8.34_373.9532m/z	373.9532006	8.344433333	neg													5273.360574	5171.584527	4391.883894	3851.963442	3684.40503	3343.14536	4071.359572	4584.668092	3681.95991	3575.01998	4680.868308	3313.485793	4415.494452	3897.076016	3639.277326	4080.21789	3682.03232	3318.358511	3319.138672
8.34_375.9500m/z	375.9499623	8.344433333	neg													2088.097669	2188.681421	1681.247772	1522.604674	1200.408823	1263.373565	1473.976267	1538.74973	1518.946865	1323.188604	1800.896393	1310.119253	1645.463721	1845.447067	1330.379034	1470.049832	1509.031881	1387.922062	1180.138626
8.34_383.9821m/z	383.9821147	8.344433333	neg													9731.473701	9747.292682	7879.710823	7128.629273	6851.938968	6473.27509	6682.924837	8396.599033	6955.33874	7078.965417	9041.193024	6653.618287	8516.759831	7553.152495	6572.063717	7767.982703	6632.909928	6330.498231	6333.794156
8.34_507.8758m/z	507.8757595	8.344433333	neg													8599.522485	8829.301613	8718.458224	7824.941786	7593.913155	7488.008779	9171.190466	8400.770746	7307.744091	9000.813796	9793.32311	7359.259858	8209.89047	7395.632547	8413.043596	9375.221348	7954.981752	8707.284141	8266.016702
8.37_326.2144m/z	326.214351	8.368816667	pos													97.04497967	84.24007131	101.7871819	213.3595936	0.000297236	0.000297236	359.4903153	74.21778694	193.0514207	88.66925724	274.1951474	142.7549705	0.000297236	183.2248198	260.0594611	144.1172523	243.6141687	309.7556246	264.3951399
8.38_339.0081m/z	339.0081198	8.381166667	neg													1856.911228	1536.726636	1697.476714	1543.871838	1997.665959	1780.908519	2189.644672	1927.720969	1404.896275	1771.894198	2188.387755	1500.875682	1905.742117	1488.243235	1929.98319	1890.981089	2203.090885	1822.599212	1738.841577
8.39_329.0039m/z	329.0039095	8.39255	neg													908.5770163	1114.532363	1423.201192	675.3080228	1514.293116	1308.705048	1479.378442	1369.249904	1084.95326	1277.182228	1382.025731	835.4148565	1112.750484	896.1750596	1416.175367	1199.245022	1689.815652	1457.145928	1423.271774
8.39_365.2768m/z	365.2767969	8.388133333	pos													2375.034034	2148.75167	2181.977059	2173.863852	1398.755844	1894.350921	1957.917906	1489.664299	1767.678264	1565.734721	1820.110576	2463.741603	1836.269732	10696.41901	1489.185786	1638.537834	2246.586578	2171.494499	1808.426517
8.40_356.1537m/z	356.1537275	8.402733333	neg													515.4640857	514.7912299	532.5101516	341.0876142	299.1325076	283.9368296	1168.580688	699.1887282	1006.720816	84.45737212	846.0632138	2169.071997	102.8418824	143.1768281	385.7658074	358.6466377	456.0623649	323.5587283	157.5122898
8.40_387.2865m/z	387.286481	8.402733333	neg													3473.557756	2983.095553	3782.428052	2345.625173	2961.62732	2890.998593	3394.880283	2423.365373	2923.644866	2301.215841	3425.352356	3185.314204	2011.427859	19833.83535	2419.898647	2069.861766	4477.061958	3412.882995	3725.918728
8.41_156.0208m/z	156.0208328	8.40865	pos													1881.925558	1882.740335	1982.265072	1944.922198	1815.364363	1813.76111	2059.573375	1853.286222	1833.609938	1969.876891	1793.255671	2041.505993	2020.410858	2123.296033	2066.095204	1984.701622	2066.426478	2013.374141	1771.042398
8.43_190.4783m/z	190.4783415	8.429366667	pos													3407.230325	4525.411764	3672.178072	4255.571562	3655.763594	3744.356415	4056.656687	4280.8603	4144.31749	4062.279262	3993.115458	4618.788619	4262.066714	4311.183246	4737.115535	4650.260489	4269.372008	3949.74891	3890.339138
8.45_305.0028m/z	305.0028019	8.446666667	neg													4978.301381	4991.714181	5196.801821	4974.772945	4962.956737	4632.399738	5048.332387	4925.072774	4227.232144	5143.650367	5387.75998	4167.559476	5061.833374	4480.21361	4896.91184	5391.615927	5276.985416	5540.93119	5215.961509
8.46_158.9841m/z	158.9840689	8.45845	neg													599.2767668	699.575919	720.2023315	411.4909662	305.1986957	425.1367533	377.511723	2654.017529	2037.493356	404.4258213	494.2265073	500.7708846	391.0462126	449.3770543	416.2995138	418.0362961	486.4323466	466.9691519	449.9363471
8.46_176.9611m/z	176.9610509	8.45845	neg													3550.216267	3095.220744	3217.072238	3163.975377	3053.275791	2956.520387	3344.611201	2824.698392	2724.971956	3174.821255	3757.053939	3127.512035	3227.111026	3206.20219	3294.956033	3503.398922	3572.935566	3301.605205	3331.455787
8.46_350.8500m/z	350.8500252	8.45845	neg													1820.228485	2080.677165	2077.027085	31.62088205	37.34779522	66.43740212	35.10205595	14269.42399	10989.0014	27.11335361	30.00667953	756.0482264	0.013087833	17.97082329	24.07962136	43.14925065	39.0716008	23.17794478	34.14260059
8.46_411.8488m/z	411.8488388	8.45845	neg													1123.429858	727.7554633	807.3392481	768.8279572	529.6882724	463.3478734	414.9656973	3171.195302	2655.430846	397.6665595	805.8166142	575.8080131	661.3778501	517.4733281	615.7993896	693.0929272	868.493366	745.7109051	708.7327701
8.47_261.4649m/z	261.4648564	8.46885	pos													868.4930398	989.5955449	1472.401291	989.0839679	1079.70113	1249.653231	1138.162521	1257.698646	1189.322494	1245.546226	1062.675641	1075.136923	1271.342966	928.1096267	1377.159214	1246.269011	1281.904827	1046.905719	1213.6797
8.47_348.8529m/z	348.8528936	8.466783333	neg													870.4234032	941.1300623	788.5839939	28.81234863	58.35100786	0.000297236	69.98827591	7221.300607	5569.219329	24.11570524	39.38734934	394.3049864	76.22861316	24.91708603	0.000297236	25.48091223	25.32473283	46.6725545	76.0341196
8.47_352.8469m/z	352.8469084	8.466783333	neg													1320.809959	1748.875367	1486.629196	171.7280686	220.2120333	323.5746333	174.9643314	11638.44651	8348.977827	176.9817532	272.5149612	715.4411769	151.3893172	227.131421	179.2048159	232.0065956	206.1949624	214.0572023	186.8385283
8.47_415.8428m/z	415.8428115	8.466783333	neg													569.140911	667.9177127	443.2738781	53.99135831	156.6555894	194.5501609	0.000297236	4240.814491	3307.006775	138.4693687	0.000297236	474.6567411	68.85991866	75.53316888	213.9041302	159.8901896	133.4478389	171.3865834	105.4730018
8.48_320.9978m/z	320.9977555	8.478116667	neg													1789.423193	1793.022902	1804.450514	1537.709186	1483.898769	1763.545591	1677.72449	1371.436292	1654.39894	1511.853651	1296.746053	1517.935522	2092.216849	1750.982777	1593.147999	2210.428221	1582.619075	1808.37279	1886.770513
8.49_145.0351m/z	145.0350507	8.489116667	pos													1723.433272	1866.008507	2027.650115	2138.86345	1987.823532	1929.464138	1987.359642	2117.017997	2048.401653	2077.281454	2234.241394	1956.31724	1882.41438	2081.344733	2130.546179	2084.752868	2328.202599	2155.532185	1887.529019
8.51_139.0177m/z	139.0177186	8.508666667	pos													11198.0508	12946.28952	12796.67007	12855.00347	12242.81417	12182.41867	12360.18658	12019.17461	12115.11251	11917.75821	11968.57307	12269.8603	12776.61447	12794.69169	13686.27244	13372.64987	12851.15922	13268.56246	12131.27823
8.51_205.9354m/z	205.9354241	8.5067	neg													2551.653142	2777.507374	2669.000155	3106.494512	2500.65663	2366.416802	2402.19975	2428.73987	2949.374921	3200.634426	2987.969288	2595.671231	2964.644232	2818.705074	2954.526036	3460.917904	3041.020011	3113.464912	2674.944897
8.55_111.9845m/z	111.9845193	8.547283333	pos													2281.246599	2671.384776	2715.572003	2821.97253	2653.576572	2502.810535	2607.19354	2644.512101	3065.169801	2565.075855	2881.061276	2783.862824	2608.078827	2615.419362	2900.44684	2909.859549	3151.765576	2841.160905	2577.508442
8.55_507.8757m/z	507.8757083	8.54805	neg													10986.45585	12586.87095	11267.35373	11841.43121	11446.93827	10613.78742	12910.88129	12139.34854	11482.98601	11838.54453	12359.80625	11165.18637	10218.14708	9936.998204	10836.12522	11232.32099	11887.02878	11498.47513	10806.74939
8.57_156.9658m/z	156.9658013	8.56665	pos													2512.094295	2619.853198	2658.521219	2687.172326	2476.170928	2454.137363	2573.71827	2523.262326	2420.29664	2518.010576	2483.092341	2754.483646	2643.903607	2751.795421	2809.050202	2746.150555	3201.798743	2822.516906	2590.636536
8.60_256.9852m/z	256.9851596	8.595716667	neg													2544.625177	2341.765002	2381.298819	2621.232113	2891.38655	2493.0112	2815.614481	2228.502039	2482.768073	2615.337127	3116.177171	2657.101192	1969.053306	2275.500636	2460.580504	2492.078477	2644.208109	2460.091357	2439.411233
8.60_714.8441m/z	714.8440996	8.595716667	neg													10730.15513	10454.99406	11614.21792	12807.43212	11087.86845	10689.16456	12208.55149	10459.18368	10915.62082	11378.9136	12648.84793	8911.566793	11217.8156	10793.02616	10848.29051	10991.91425	12093.07764	10867.08247	11765.60564
8.61_172.9401m/z	172.9400939	8.609233333	neg													1137.581946	1205.777536	1119.120458	1334.566733	1261.199922	1105.477458	1289.582072	1162.921311	1326.694715	1384.359726	1496.021439	1292.370001	1091.37418	1294.286083	1264.54552	1428.47614	1378.865078	1222.3008	1151.449813
8.61_271.1877m/z	271.1876883	8.607066667	pos													4475.100264	3726.566883	4034.479181	5280.077972	4924.615676	4759.245197	4548.80274	4911.41364	5127.770524	4982.782282	5020.03572	4737.738204	4620.330185	4635.808764	4770.305894	4804.93921	5262.292232	4917.448998	4324.672663
8.64_320.9978m/z	320.9977683	8.63775	neg													6383.946904	6720.552068	6495.583064	6136.070889	6413.461324	6504.555716	6939.489868	6429.242778	5785.926458	6242.443354	6830.713	6155.823441	5721.857791	5765.595796	5714.366762	6163.269423	5695.286602	6416.073982	5700.838808
8.64_356.9990m/z	356.9990193	8.63775	neg													6124.604051	6101.245368	6436.858902	6849.959482	7055.449778	6307.06551	7185.707095	5949.162388	6853.609378	7167.599986	7676.703867	7215.478662	5894.887644	6060.981291	6739.950264	7227.14954	6939.988602	7052.375537	6014.589863
8.65_361.0104m/z	361.010391	8.649533333	neg													6980.860527	7032.367892	7322.748514	7769.369273	7482.862297	7234.565805	7621.456139	6921.477109	7083.024529	8081.682442	8052.681615	6594.113637	6465.773556	7257.92895	6717.519308	7680.533702	7001.555545	7299.473715	6415.206392
8.66_300.9915m/z	300.9915345	8.659683333	neg													2022.848892	2068.693689	2341.366499	2289.489949	2315.218603	2173.881299	2648.133776	1879.578693	2162.201001	2133.337115	2326.508274	2356.527435	1917.01364	2114.38897	2046.72408	2386.236708	2331.069516	2093.490943	2164.599362
8.66_339.1634m/z	339.1633933	8.659683333	neg													1563.844131	1690.881639	1870.129648	2028.008323	2161.475903	1853.652814	2079.383418	1070.253489	1549.845344	1627.556011	1647.188955	1702.502343	1271.952063	1371.896817	1567.049169	1155.539898	1927.490142	1691.687709	1400.773813
8.67_152.0163m/z	152.0162617	8.668066667	pos													5072.920336	4451.615789	4739.14	5046.635379	4567.279307	5133.186453	4960.27496	4442.839184	5329.798082	4632.187644	5035.576077	5159.56732	4382.273253	4614.919996	5046.164548	5370.935435	4684.774029	4983.171636	4940.068166
8.67_187.1329m/z	187.1328847	8.6747	neg													1508.441679	1525.225929	1558.40199	1607.445778	1743.514892	1711.464579	1542.172671	1381.384086	1974.947457	1724.858372	1455.679458	1607.192827	1468.784521	1526.195762	1460.299744	1417.775261	1234.269584	1273.186564	1332.618509
8.67_302.2143m/z	302.2143411	8.668066667	pos													3564.839089	3513.174147	3934.718614	3892.723958	2746.453318	4337.677476	4833.584915	2676.749537	3939.327334	2252.756294	5722.232443	3154.73023	2966.905397	3645.230363	5651.79255	4179.600765	5166.593376	4973.227351	3418.089054
8.69_446.9059m/z	446.9058891	8.6882	neg													3673.773538	3729.125665	3907.823418	3491.102302	4047.788471	4214.370035	4001.618156	3494.241366	3379.022019	3709.546737	4029.505997	3462.038932	3442.07479	3463.496798	3483.97808	3443.020135	3459.927468	3491.272807	3481.182754
8.69_447.2365m/z	447.2365358	8.6882	neg													452.5150009	758.8346108	669.0667218	207.3172133	279.1045568	158.462086	70.50931748	1395.773388	659.7892425	77.62022514	243.4920576	577.8480176	964.818915	1148.4261	1191.649144	270.1834187	256.9153577	197.7971276	753.9003651
8.70_176.9610m/z	176.9610421	8.699366667	neg													1763.532396	2011.468806	2106.107124	1899.109623	1732.222044	1943.018431	1674.342432	1825.313246	1827.364527	1948.588802	2111.717719	1774.73619	1727.28669	2045.847006	1850.821522	2067.868299	1553.29344	1843.086058	1454.11083
8.70_314.9886m/z	314.9885711	8.699366667	neg													11495.2998	12401.61242	11801.11561	12536.6513	11511.93361	11049.97118	12148.38159	11183.44	12376.01976	12990.01009	12175.61733	12118.50067	11399.40203	11898.98507	10344.94924	11554.29152	9290.684772	11446.5689	10380.34861
8.71_197.9923m/z	197.992329	8.708066667	pos													3876.860628	4686.034806	4295.75854	4518.108652	4210.18039	4200.274095	4636.231738	4384.385701	3921.958545	4591.201935	4572.683939	4565.455858	4749.802891	4927.845554	5042.695625	4874.941859	3676.33365	4734.087477	4656.968099
8.71_346.9946m/z	346.9945603	8.711316667	neg													3056.455598	3568.521475	3088.700546	3064.292788	2805.194534	2955.393324	3068.517769	3193.142562	2931.518887	3606.078858	3491.32572	3221.523617	2886.259837	2958.499518	2884.44228	2978.133938	2840.478659	3047.305847	2479.310484
8.73_111.9846m/z	111.9845699	8.726966667	pos													1355.293291	1373.905528	1292.651334	1477.156164	1238.06882	1341.19546	1294.082624	1322.771814	1295.899472	1379.708253	1406.64401	1359.088639	1352.168793	1452.619203	1529.774938	1424.613553	1048.309711	1435.191289	1257.454268
8.73_167.9819m/z	167.9818778	8.726966667	pos													16943.81887	18959.97269	17892.48533	18563.75877	17127.60223	16953.00435	16887.38617	17095.16261	18339.64967	17444.44925	18172.36574	18199.62408	18509.46501	18297.63849	19522.05024	18853.11394	18219.39037	18677.04803	17452.70983
8.73_198.1568m/z	198.1567524	8.726966667	pos													798.6472522	899.8511716	794.328666	831.4783637	721.3354024	728.5504179	816.8023268	874.0681349	854.2511229	771.2824808	895.4919676	911.9696394	611.4198988	763.5980807	953.9791878	795.8248202	807.3614129	698.9531276	870.5429327
8.74_403.1738m/z	403.1737641	8.7395	neg													981.7637372	1017.397012	989.6915392	471.0315846	480.305606	1434.093414	356.5076634	3898.810736	779.9519943	1021.881862	434.0141296	1002.201119	453.1079114	461.5173867	584.1079623	435.6856843	662.5090817	809.082901	317.0616987
8.74_714.8441m/z	714.8440934	8.7395	neg													13718.95585	17309.25947	14777.90962	16227.22218	15917.84969	16691.86546	15579.82913	14969.80155	17267.83823	17531.9075	17769.10908	15511.57408	14456.76487	15553.62051	15644.05076	14239.34691	13454.02413	16348.18672	14047.50454
8.75_176.9716m/z	176.9716401	8.747183333	pos													3869.344645	3670.222674	3856.97879	3944.765387	3686.623015	3676.693979	3877.25494	3731.858158	3745.551969	3684.124422	3749.84986	4057.681013	4253.824434	3886.022362	4451.814212	4427.40963	3210.250995	4018.956856	3726.60019
8.75_244.9850m/z	244.9849978	8.752933333	neg													2420.775961	2500.010577	2156.068194	2446.30877	2165.042797	2241.057359	2341.321509	2265.831676	1851.31935	2170.345365	2235.23442	2150.956523	2194.727305	1962.501482	2066.681228	1799.779069	1964.721237	2250.660096	1890.16829
8.75_332.9219m/z	332.9218816	8.752933333	neg													1624.458366	1711.742748	1736.67026	1869.869591	1531.936711	1861.353655	1688.143723	1860.22965	1107.726261	1981.094063	1851.859387	1339.995796	1675.240632	1451.912289	1680.63686	1453.096774	1407.829538	1573.719017	1226.970838
8.76_358.1693m/z	358.1693172	8.764383333	neg													501.984299	592.118447	697.7442102	87.61091002	331.5017689	0.000297236	255.1059763	2559.538934	1794.098327	0.000297236	371.0372251	2871.877446	46.80836288	159.5945801	199.8472236	180.7617143	203.1976647	347.1827595	71.37756979
8.76_501.8632m/z	501.8632261	8.764383333	neg													10090.79913	11076.45925	10665.73599	11147.78285	11206.80214	10510.37971	13265.77039	9149.597675	9684.035987	9977.936764	11132.2018	10234.27994	9432.486816	9532.400763	9636.399701	9943.990448	10043.1563	10269.21741	9734.179858
8.77_227.9824m/z	227.9823973	8.767316667	pos													35760.77977	35682.49396	35140.87485	36411.36888	34483.74472	34791.16873	33719.83642	35505.82728	31573.9959	35156.80304	35850.18488	38896.42481	35544.04126	42022.83222	39474.95967	39606.99592	35122.61471	37830.65377	35634.09785
8.79_214.0032m/z	214.0032357	8.786983333	pos													66787.0624	96486.32266	78301.4882	99011.36778	81917.77788	73703.24234	67750.66213	70786.2232	79818.34115	76075.92477	75405.18667	88084.45648	74063.84425	74462.4745	74985.46545	76677.7027	76242.62897	75171.89338	69224.60578
8.79_274.9761m/z	274.976051	8.786466667	neg													3607.788965	3500.008613	3778.964094	3775.45374	3881.07191	3309.610633	3334.191936	3477.352439	3057.253953	3362.354415	3639.349076	3283.361955	3476.834981	3167.137196	3779.137549	3430.80563	3820.140329	3102.64743	3406.566212
8.80_172.9401m/z	172.9400854	8.801116667	neg													1028.884916	1128.917163	966.4823413	1061.929632	930.9298772	923.4179328	998.0359162	1002.501116	769.6715676	878.0950865	881.5030721	861.0102225	914.3615045	830.370004	1017.147452	841.6273439	842.766764	993.1395318	840.2924247
8.82_377.1582m/z	377.1581932	8.817716667	neg													291.7164738	330.3766635	271.2428957	626.4030552	660.2728559	390.3954466	752.831081	617.0634154	736.318967	200.3248066	318.5243435	611.8383648	437.829081	440.2926315	629.8841337	636.4935723	745.0845699	581.2384842	689.514301
8.83_158.9840m/z	158.9840372	8.834516667	neg													516.6872666	541.6866899	513.7081469	341.5186833	303.9409464	328.556154	459.4759739	2100.189652	2184.411258	315.2374071	275.7630338	405.2709109	294.8329453	321.4095453	350.5407598	343.771661	344.5545982	364.2839336	318.3724988
8.83_233.1759m/z	233.1759277	8.827783333	pos													2230.840698	1817.073408	1624.677065	1586.295628	1614.93892	1917.771545	1646.460965	532.7440262	542.673167	1803.276574	1718.385846	1019.557308	1819.283102	2020.446795	1862.175868	1999.310575	1672.891317	1527.557747	1418.970276
8.83_233.6775m/z	233.67753	8.827783333	pos													459.7376913	319.1140722	456.1023393	252.3134615	533.7789785	410.0339489	379.9594698	0.000297236	55.51405997	442.0492724	269.6035611	185.8275407	444.98278	441.7085066	397.513088	407.3163796	420.3787313	420.745091	380.194155
8.83_314.8736m/z	314.8735608	8.834516667	neg													342.9471316	325.8563394	270.0207157	0.000297236	10.27762557	20.51307467	12.45553994	2239.264208	2135.872098	0.000297236	0.000297236	99.99632894	0.000297236	11.12861702	0.000297236	0.000297236	0.000297236	7.80899454	0.000297236
8.83_339.1634m/z	339.1634115	8.834516667	neg													2417.574918	2279.56755	2276.328957	2341.801166	2170.641754	2413.099325	2867.881095	1395.379514	1730.534776	1812.959935	1670.551109	2226.483012	1783.443685	1584.937052	2421.212401	1022.923259	2325.632605	2300.99734	1976.178132
8.83_348.8529m/z	348.852899	8.834516667	neg													936.5685626	926.106503	709.0488743	0.000297236	81.55771204	45.30781172	0.000297236	5826.432181	5855.097566	31.51769196	54.51586481	308.8635536	20.03879856	0.000297236	83.18662534	36.09029923	50.01947428	55.53097229	0.000297236
8.83_351.8573n	350.8500299	8.834516667	neg													2375.658035	2135.414636	2086.978754	19.15170685	0.634509707	0.189469111	13.74025048	13866.14171	13609.06111	0.105890947	0.546281614	1066.56598	0.011852799	15.05177503	13.88464926	22.97701542	13.89625947	0.144877143	16.34327976
8.83_352.8470m/z	352.8469791	8.834516667	neg													1611.894211	1393.676595	1410.21959	236.3498207	192.2076933	139.5839614	283.140382	9013.442168	9261.072424	162.6937791	135.8086976	540.366153	129.4759985	170.6728542	166.8272143	190.2114881	237.7969126	139.7161818	208.4682403
8.83_354.8442m/z	354.8441716	8.834516667	neg													658.5355469	722.3329354	531.9804058	8.736128205	8.452494227	8.077150656	18.92453451	3969.690354	3999.09737	18.41326155	3.812979271	236.0302898	4.247000409	7.68209111	8.505958496	7.184576283	6.663902262	7.695221798	8.8151061
8.83_444.8906m/z	444.8905812	8.834516667	neg													4031.687252	4507.083394	3984.913828	3768.431288	4355.943952	3454.658546	4990.505858	4453.432755	4779.903036	3989.968072	3954.3501	3912.880764	3718.549073	3927.892088	4281.980719	4071.119468	4718.377902	4822.264246	4231.033009
8.83_475.2676m/z	475.2675517	8.834516667	neg													1384.846748	1442.608015	853.8896866	950.3459293	90.11070221	488.3458796	169.6010952	0.000297236	321.1464802	4672.570744	3088.407571	0.000297236	0.000297236	268.0439902	4547.184248	156.4544259	1358.686513	2344.17064	1177.992621
8.85_153.0108m/z	153.0107964	8.84785	pos													30788.26826	33736.50872	32148.41933	33884.30851	31352.23454	31303.99048	30542.90617	31586.84199	30322.06476	30907.31781	31517.03198	33710.78842	33334.66416	32763.31605	34159.89164	34277.63257	32847.6617	33195.60868	31051.09585
8.85_411.8489m/z	411.8488775	8.845733333	neg													579.4088909	878.5781234	728.3799362	365.9964047	440.7244829	481.5081523	478.9924114	2539.436094	2884.538031	322.7971404	443.5706229	665.430137	341.981106	432.8081653	593.4679123	539.2301696	557.1156268	524.512758	562.4083883
8.86_262.9116m/z	262.9115636	8.8575	neg													3369.126341	3049.92761	3449.159319	3254.682901	2983.362497	3208.946217	4090.91326	3203.99778	3744.080251	3565.94518	3352.345881	3537.982888	3018.689973	3205.684488	3406.31022	3385.750766	3694.22777	3777.738534	3581.123595
8.86_264.9343m/z	264.9342895	8.8575	neg													1697.686116	1922.081532	1956.87514	1522.765371	1763.483172	1799.425833	2378.200989	1476.936779	1787.238905	1960.576426	1847.078467	1596.662673	1612.819233	1524.892019	1758.432296	1660.864214	1702.775808	2084.28827	1824.114916
8.86_275.9066m/z	275.9065959	8.8575	neg													1144.331509	960.6917987	1149.261936	863.7066251	870.4894969	937.3688839	1359.619371	742.8276945	1016.151773	1048.026461	921.037191	924.8791939	1164.366773	967.3891624	1069.52691	1070.54464	967.5795378	1299.443888	1101.145242
8.88_445.2571m/z	445.2571337	8.875916667	neg													1057.195975	1055.060622	1269.191828	1167.140006	327.8224465	684.8357377	1761.706192	0.000297236	0.000297236	2344.701252	2146.216667	7.051897346	91.72624216	271.402421	2352.357797	1694.311781	1700.709957	2773.537284	174.9364972
8.89_1133.6382m/z	1133.638196	8.88895	pos													7235.388392	6800.541587	8478.265824	8150.167862	7177.09775	3693.949533	7765.362149	8243.514511	12267.03059	8976.584227	8612.207616	6966.049693	9143.413246	5711.59753	12269.30575	10013.63815	8426.447231	11693.71186	6917.25225
8.89_515.0148m/z	515.0147886	8.8896	neg													1081.761554	1563.924968	1639.260898	1581.205785	1516.809205	1186.188042	2087.354054	1560.635763	1731.426801	1626.445341	1630.092396	1589.951361	1449.604635	1832.713483	1953.287105	1601.770308	1532.138101	1622.411548	1724.178764
8.90_244.9850m/z	244.9849969	8.9015	neg													1243.590547	1161.246231	1267.442268	1079.677525	1148.57255	1058.599504	1420.046521	1301.100084	1536.488682	1562.260826	1356.570604	1541.549348	1297.42549	1529.314807	1364.300895	1390.825213	1411.768193	1507.265403	1373.711703
8.90_501.8631m/z	501.8630804	8.9015	neg													1949.871058	2153.252162	2089.526718	1545.777978	2175.261423	2094.49652	2334.193649	2396.850785	3638.117182	2896.286737	2435.609468	2345.092909	2007.561128	2816.834606	2198.807589	1969.839583	2548.299178	2398.038915	2423.803726
8.90_507.8758m/z	507.8757785	8.9015	neg													12661.98431	14318.62399	11996.04629	12252.14254	12328.114	13915.85006	14104.24815	11950.86698	13970.81925	12981.18176	13912.60265	12091.44308	10918.75247	12489.17973	11780.16401	12017.16445	12802.3998	13733.70767	12921.41498
8.91_111.0391m/z	111.0390857	8.908033333	pos													1430.507919	1441.736266	1331.703981	1536.92731	1356.878458	1346.001155	1334.971585	1291.450327	1175.698514	1378.19583	1453.195803	1557.41383	1505.07102	1478.849382	1568.861483	1544.005955	1307.295561	1371.651827	1341.308365
8.91_1133.7636m/z	1133.763634	8.908033333	pos													7402.210118	7616.826458	6298.035991	13684.33226	6447.379224	9808.665164	7113.957789	7767.151448	10508.31906	9368.60712	11437.02279	8321.508189	7537.524014	10520.49132	8364.573175	11620.14165	7593.574612	11015.87596	8440.979474
8.92_389.0051m/z	389.0050635	8.921166667	neg													1660.82516	1831.567385	1784.101532	1519.545359	2174.822518	1828.96296	1914.954356	1887.988554	2544.902177	2192.316149	2505.884344	2019.910183	1737.198261	1941.80803	1844.663925	2062.387448	2237.129444	1837.159392	2205.827779
8.93_1134.1385m/z	1134.138452	8.927783333	pos													5213.093856	3054.045783	3660.682663	7136.734645	5083.714147	7250.927922	6346.179571	5198.537529	7333.620132	9180.771189	7059.987302	4515.039056	6319.576822	4027.114143	2891.046616	4988.195588	8560.937955	4373.832103	6778.041981
8.93_176.9716m/z	176.9716469	8.927783333	pos													3407.918763	3518.675432	3693.675385	3893.213899	3496.291049	3434.448038	3720.582287	3742.897079	3103.804279	3724.418597	3837.242382	3858.685103	4009.01478	3860.04187	4179.201172	4190.051396	3294.702289	4130.607213	3662.790479
8.94_361.0104m/z	361.0104381	8.937883333	neg													3459.39997	3715.467149	3272.02431	3831.431547	4186.44405	4029.079322	4305.390925	3914.714932	4325.292488	4258.322028	4326.059665	3806.178792	3277.881835	4141.383495	3703.129383	3887.568752	3708.073547	4416.943813	3340.835671
8.94_439.8884m/z	439.8883793	8.937883333	neg													58761.63912	60316.79193	59782.3316	58432.83051	57879.16919	58617.95809	63253.5441	57665.55762	58540.42563	60516.70893	64738.47336	54718.57624	54318.2533	53905.8409	54174.69625	58709.18968	58172.71078	60836.65183	56572.68508
8.94_483.0094m/z	483.0093852	8.937883333	neg													5423.886102	5669.392237	4928.527009	5602.813644	5280.475155	5586.087891	6138.993791	5821.876869	5449.305576	5977.300202	5813.209833	5391.562295	5138.6008	5326.588595	5274.071457	5389.653086	5301.184699	5256.078425	5587.003534
8.96_401.1944m/z	401.1943883	8.964533333	neg													3709.153699	3418.727652	3668.830266	3073.410917	3553.416292	4017.078892	1938.91817	6088.942572	2566.498951	4904.428546	2975.449838	3161.906292	6919.0473	5147.983392	3832.72632	2941.981838	3733.224436	2087.608311	3440.348662
8.97_306.1744m/z	306.1744041	8.973016667	neg													1066.060193	1050.909669	947.1917229	882.8911184	2386.957112	1314.865508	667.1060695	1204.425883	1101.194682	666.8935019	1205.800373	685.3979056	1209.925606	1112.471835	1111.56534	1008.517774	678.1346863	521.4709214	1727.029608
8.97_673.8757m/z	673.8757303	8.973016667	neg													8497.657917	8970.077217	7855.190374	8440.876633	10102.80658	10709.00996	10237.93571	9591.763632	10281.30072	9807.527927	9544.140561	8619.656421	7399.004013	9785.706545	8924.459386	8520.174048	9077.055887	9235.327963	7845.5256
9.01_428.9614m/z	428.9614362	9.010883333	neg													3047.018569	3564.437922	3027.906631	3482.522578	3642.650758	4086.757271	3770.314468	3676.726797	3470.776852	3868.223138	3858.762027	3601.510918	3170.083356	3493.278926	3968.477382	3456.34408	3767.715652	3573.775695	3264.453265
9.03_305.0028m/z	305.0027925	9.0302	neg													34584.76991	34474.39884	34631.42186	34470.74529	35081.72825	34550.75738	35661.06502	35063.37091	35366.20396	35191.18098	37243.53573	33345.23372	34108.81695	33481.15865	34841.40046	35090.71047	34022.6644	35720.16278	33258.86402
9.03_346.9946m/z	346.9946121	9.0302	neg													4061.507941	4025.048177	3776.233119	4115.574922	4117.238534	4033.522601	3768.074036	4161.179288	4336.3926	3846.051953	3859.501876	3659.401712	3722.067191	3584.83503	3700.998465	4232.440387	3309.92519	4820.582124	3305.152531
9.03_581.2407m/z	581.2406776	9.0302	neg													4838.225569	3235.481359	2851.402628	3512.616622	7092.538257	6286.731834	2264.622728	6985.234162	5670.440946	3380.283738	1665.6698	5922.572242	2344.597078	1766.085129	4306.984755	2885.761556	3597.406232	4971.757649	7657.275993
9.03_583.2544m/z	583.254395	9.027933333	pos													12092.8552	13810.05312	14002.91181	11787.70506	19498.7954	21252.97604	9239.908524	20388.88814	15137.08881	12800.03381	7777.014628	21283.86412	9362.631502	7553.331615	14607.26518	10958.49652	12867.69835	15715.34387	24231.80416
9.05_114.5252m/z	114.5251765	9.048016667	pos													3149.796613	2890.010843	3248.354326	3298.610597	3015.232048	3205.884747	3045.346102	3240.426227	3386.888186	3231.292944	3318.955145	3193.004252	2987.687045	3307.594995	3269.765331	3591.766241	2868.095955	2991.884774	2925.51289
9.05_205.9354m/z	205.9354231	9.04535	neg													1613.683942	1228.402797	1446.80552	1259.861366	1381.218231	1352.398873	1083.578618	1321.352067	1582.724332	1105.915158	1117.187765	950.4892993	1320.85428	1305.168302	1328.777321	1626.928985	1332.055177	1907.565759	1285.549473
9.05_257.1987n	258.2059406	9.048016667	pos													5822.364515	6694.618202	6386.417708	6990.489211	6591.392047	6967.815973	6764.261489	6884.775759	5838.065129	6993.547652	6445.721959	6689.614109	6531.938162	7456.711498	7658.792831	7371.413303	6351.70965	7307.025895	6537.952839
9.05_283.2259m/z	283.2258555	9.048016667	pos													2045.395225	1614.408693	1703.040874	1467.967406	1736.423348	1986.562582	1991.982853	1446.690231	1626.476859	1931.785783	1551.849318	1971.99646	1396.841449	1604.811669	1475.688877	1674.438126	2060.455098	1771.4189	1950.335128
9.05_309.2032m/z	309.2032224	9.048016667	pos													2442.134202	2550.431035	2582.861855	2787.539491	2271.763488	2901.941603	3154.239729	2829.489635	2743.689819	2606.651744	2841.375861	3052.205239	2553.974426	2371.345225	2478.682875	3427.313746	2795.48542	2706.797508	2463.058744
9.05_328.2300m/z	328.2299622	9.048016667	pos													2624.584202	3007.717023	2571.010588	2866.332544	1179.051115	1858.399637	2956.974806	4388.175277	5355.068987	1244.019223	3776.563992	3427.869348	2341.420002	2795.770286	3358.929421	3135.985989	3915.73025	5227.272837	2209.884897
9.05_379.0011m/z	379.0010597	9.04535	neg													7918.050094	7894.954713	7142.746433	8203.619485	7916.528141	8445.068847	6821.834733	7031.866495	8513.413076	7841.161979	7954.515393	7738.587237	7059.698572	6856.362638	7202.278735	7222.309299	7076.434722	8155.966483	7160.848415
9.06_326.2158m/z	326.2158206	9.056583333	neg													794.4583345	721.3278931	671.5475984	509.4580732	546.816177	343.2544943	434.8199603	557.190882	985.1508461	174.8115838	646.3913358	640.1111584	424.6051956	462.3824799	526.7577339	630.465385	577.2935591	835.7627923	602.2691431
9.06_339.0081m/z	339.008105	9.056583333	neg													1524.963701	1173.296217	1437.171066	1373.077091	1545.225871	867.4015678	1115.06304	1102.451889	1491.799286	1156.333979	1029.187741	1137.318603	1393.538333	1157.984884	1138.077591	1556.620536	1440.032949	1964.839394	1330.365313
9.06_444.8906m/z	444.8906044	9.056583333	neg													2923.122114	2774.552061	2580.239765	2585.90383	2918.346343	2431.409505	2448.734457	2932.167522	3163.314217	2216.550377	2470.709539	1925.620805	2416.390643	2316.294681	2526.769651	2982.40896	2437.493931	3119.702839	2282.271482
9.06_456.2579m/z	456.2579222	9.056583333	neg													1022.831776	749.1133987	827.3463707	589.0245113	1117.503136	426.4981715	694.8244399	776.9945333	2304.978989	285.8426653	1079.083281	1416.383602	523.3141936	537.8170147	762.258641	646.4249643	263.816601	416.9173922	776.5240197
9.07_176.9717m/z	176.9716636	9.068933333	pos													2777.964656	2689.613027	2819.785212	2855.886586	2815.936865	2767.55336	2887.41252	2892.584704	2844.978883	2610.517758	2720.299256	2999.787791	2699.455469	3026.763533	3072.21331	3729.423448	3055.524751	2986.665635	2776.870616
9.07_188.0917m/z	188.0917437	9.06845	neg													77.81344205	64.5378263	91.52935061	82.36531126	67.85759454	26.9380322	34.29248527	113.720174	178.0594774	34.92404371	98.2160246	145.4495144	71.9663533	64.07748764	50.21442763	73.11909528	18.49734979	16.31319284	59.07563276
9.07_297.1164m/z	297.116372	9.06845	neg													1893.207345	2203.080218	2118.681665	1842.048818	1921.982719	1689.806998	2222.910507	1155.981368	2187.770033	1592.76209	2157.70525	1869.296459	1579.972588	1520.883338	1649.515503	1661.275685	1604.57805	2247.337887	1531.172404
9.07_320.9978m/z	320.9978073	9.06845	neg													9771.954959	8631.97481	8813.846665	8644.584452	9333.99448	9408.05841	7918.084939	8817.029005	8398.923925	8679.659664	8903.918342	8114.211358	8166.475575	8300.459115	8561.544301	8986.147569	8762.039302	9056.659751	8282.501386
9.07_377.1581m/z	377.1580915	9.06845	neg													450.8254823	341.5675037	487.9033877	384.0708404	558.7133576	246.4235864	564.8746695	477.4504817	573.9402948	465.0897567	340.8523338	331.5158489	278.560596	585.292441	612.2212622	610.512164	385.5209286	436.5211093	606.5905712
9.07_380.3035n	403.2925455	9.068933333	pos													6842.574296	6808.018781	6721.721563	10637.98573	13431.6325	1878.483144	10389.54476	22114.53841	5202.80573	18651.28723	7209.072596	6770.308374	7265.570954	2121.371608	6316.868814	6670.184573	7868.34636	5547.638351	8309.493214
9.08_339.1634m/z	339.163433	9.0804	neg													5928.477187	5340.44989	4922.686988	5655.901826	5518.275802	6194.178506	4994.690067	3881.469466	4815.314259	4416.922532	5179.75728	5255.318226	4283.263474	4760.886849	4670.001309	4005.988019	5212.078961	5623.900741	4010.09791
9.08_425.3023m/z	425.3023107	9.0804	neg													1297.880122	1066.431144	1442.119466	2350.762346	2293.529614	220.8483076	1934.377635	3813.78852	1207.383806	3156.948416	1131.803383	947.2647398	1062.762376	471.3306054	1646.49791	1841.917188	1354.478892	1782.205174	1612.711429
9.08_442.2923m/z	442.2922597	9.0804	neg													1015.825198	1336.958099	1273.62467	2414.082406	2158.900165	288.8451787	710.4007606	3147.705555	850.8961244	2459.773851	1056.128102	900.964795	994.8427315	386.7143116	1388.41846	1622.168884	1165.083428	1438.13902	1369.353077
9.09_244.2903m/z	244.2903496	9.0896	pos													2746.06613	3129.948951	2765.571266	3094.964011	2505.844344	2660.696391	2866.32997	2943.634354	2754.045482	2823.826166	2806.492027	2685.482492	2699.678177	3191.801251	3102.616563	2819.642278	2607.894008	2706.013801	2652.308029
9.09_293.0053m/z	293.0053294	9.090516667	neg													1700.996425	1774.762971	1793.124821	1514.82604	1383.921114	1738.441197	1211.144928	1673.726731	1375.432752	1465.066829	1361.516962	1429.019523	1450.126722	1644.695837	1428.955986	1388.32082	1569.886746	1817.816458	1643.129357
9.09_374.9895m/z	374.9895298	9.090516667	neg													11834.18296	11688.43661	11192.03227	11589.76869	11283.12806	12316.56749	9789.064262	10424.83512	11267.36265	11139.71015	11368.58109	11082.85327	11130.38262	10733.67563	11522.96761	10960.17455	12106.56536	12594.12184	10435.4562
9.11_220.1458m/z	220.1457907	9.111633333	neg													2050.205344	2188.35168	1998.114763	1475.880716	2192.69502	1494.876062	1290.43957	2340.423588	2084.165744	2212.24542	2064.142521	1542.477716	1444.405161	2152.584554	2577.176102	2054.320147	1179.501917	1042.582316	1675.573414
9.11_378.1533m/z	378.1532523	9.111633333	neg													6767.34824	7418.353641	7029.099506	5028.308297	7858.243729	5126.909692	7954.919706	7799.968551	10255.90124	8746.40563	8464.285728	5178.563334	5126.847435	7593.856947	9117.396789	7326.998788	5060.137818	5417.030754	5581.873039
9.11_419.0320m/z	419.0320373	9.111633333	neg													3547.835248	3633.090197	3141.593148	2824.218139	2376.747377	3149.378508	2234.794164	2898.751805	3058.879314	3397.869301	3264.116655	3107.494426	3393.47483	2852.743757	3134.622104	2858.898459	3643.3156	3102.792775	2824.991308
9.11_428.0691m/z	428.0691302	9.111633333	neg													718.275113	940.8142775	741.5638367	516.6141967	905.3236278	564.8710776	973.3330793	898.6823493	1090.801919	1030.743355	1217.72749	487.8210508	419.8065675	845.697871	871.5804593	560.6711447	482.8962261	531.8269672	634.6783276
9.11_436.0824m/z	436.0823914	9.111633333	neg													564.1976055	790.9296071	594.4804744	621.1453887	834.5210898	482.6450771	709.7351547	989.368847	649.5767321	816.0785117	912.7416644	388.5915827	409.9042026	796.5572136	957.0813733	840.1413027	310.5036185	348.9683387	616.2244454
9.11_438.0981m/z	438.0980631	9.111633333	neg													2410.092114	2546.760017	2631.239181	1882.408771	2779.717574	1775.526739	3147.758216	3244.612089	3263.933139	3085.866668	2976.29621	1827.502825	1674.49383	3198.329286	3382.179413	2588.173528	1578.201756	2085.192987	2013.020508
9.11_446.1409m/z	446.1408742	9.111633333	neg													1309.078626	1678.944171	1603.94734	1173.748393	1860.042352	956.0321437	1786.807223	1974.796914	2433.516743	1809.13516	1566.735789	1024.82443	1125.816319	1792.031848	1810.102958	1688.622278	971.6832265	981.7829122	1205.577494
9.11_497.1382m/z	497.138221	9.111633333	neg													9527.696252	11125.61759	10784.62159	8135.443008	11753.9665	7356.927815	11778.1975	12499.36285	14547.54684	12460.61267	12015.04096	7546.147764	6750.432248	12319.28309	13010.69762	10503.88534	7541.23025	7884.904182	8609.756858
9.11_506.0855m/z	506.0854558	9.111633333	neg													755.4013247	562.6118658	529.7141838	376.547668	662.6042814	417.8446527	1044.359108	932.4244771	1560.980316	1328.533132	1353.320532	350.9649489	511.2103092	1111.204405	1199.451811	893.6562456	529.5806469	266.9975321	504.5377567
9.11_514.1285m/z	514.1285116	9.111633333	neg													933.2771083	1020.509203	726.5270309	428.2463982	964.429626	488.8961442	996.1462565	1045.608078	1079.156176	954.2719744	1110.49435	740.9640255	632.7434348	1118.284504	1097.351068	852.2941841	489.0575132	437.9064606	766.2815927
9.11_565.1255m/z	565.1255191	9.111633333	neg													5663.093662	5974.165534	5481.649788	3799.287606	6356.152692	3990.087834	6588.538574	6354.360851	8226.059916	7096.154325	7137.280139	4044.906475	3284.961431	5964.548315	6947.46721	5779.08469	3955.806471	4512.009481	4205.350281
9.11_609.3407m/z	609.3407009	9.111633333	neg													709.3095981	1025.714303	808.8235931	503.6731146	1436.284215	313.9701492	1043.558943	1311.714937	1500.864745	1157.101151	1238.010842	305.2567	317.5888543	1347.459334	1610.78406	703.5851902	356.9220762	438.4654164	480.4708994
9.11_769.0879m/z	769.0879306	9.111633333	neg													1513.899062	1559.332517	1487.277122	1179.471667	2144.753709	870.1371846	1771.501869	1441.317717	2064.763164	1737.164901	2105.63333	1269.583875	936.4326134	1624.268498	2186.245353	1768.925405	768.5375016	930.7406986	1326.778241
9.13_152.0163m/z	152.01631	9.128083333	pos													3621.15656	3362.015704	3457.814227	3529.169059	3924.21053	3672.229494	3502.978962	3787.731934	3622.405205	3478.676821	3955.252377	3740.798882	3743.105392	3357.74893	3861.207108	3793.869226	3435.400878	3263.424657	3294.785086
9.13_595.3485m/z	595.3485247	9.128083333	pos													2789.413471	4435.166253	3588.442604	4256.72045	2197.008228	2584.077647	5161.372813	0.000297236	0.000297236	4333.199016	2821.156602	423.4672035	736.2104137	1198.527421	28178.06517	3700.473181	3122.136449	11823.87409	4347.360232
9.15_356.9990m/z	356.9989513	9.153033333	neg													8713.469106	7857.322682	8749.144246	8633.7097	7694.351159	8293.639736	7506.197733	7160.359556	7678.003842	7883.289962	8207.341818	7315.634488	7913.802492	7680.766486	7866.286659	8350.520349	8373.803703	7842.888361	7784.511306
9.17_145.0351m/z	145.0350714	9.169666667	pos													3508.955216	3125.584708	3148.447663	3316.498552	3232.768084	3430.726591	3370.602003	2989.33385	3094.537956	3255.835113	3369.632475	3278.548072	3146.401552	3089.174992	3282.185104	3123.60812	3210.278107	3149.483605	3217.649558
9.17_174.9563m/z	174.9563335	9.169666667	pos													5391.163839	5881.63497	5600.80228	5834.510576	5103.019649	5172.403243	5572.178423	5725.757255	5352.90809	5618.26567	5540.931405	5493.11786	5377.333131	5576.841106	6192.389682	5719.235915	5302.989508	5510.61209	5633.292549
9.17_303.2226n	326.2143427	9.169666667	pos													35454.57457	38473.72482	38189.33955	38176.91535	52094.16876	33574.92536	42134.04783	24702.66752	24692.2611	44754.66192	48206.69573	36338.84642	47307.14578	49950.77258	48982.01276	54176.12774	44549.38848	44344.77419	42957.73664
9.20_300.9916m/z	300.9915557	9.202816667	neg													2954.843071	2485.031731	3174.383362	2601.574477	2545.528955	2963.127218	2236.069393	2232.31247	2099.209121	2731.318449	2332.548392	2540.615245	2519.956798	2539.592129	2478.523308	2492.885121	3024.624881	2561.493958	2600.559999
9.20_371.0142m/z	371.0142197	9.202816667	neg													2154.131887	2471.474389	2353.39509	2255.704336	2403.862277	2544.871826	1345.529645	2292.443527	1893.479229	2050.370399	2111.834979	2214.746737	2342.849693	1907.017593	2052.099841	2009.31897	2434.25571	2277.834691	2131.534249
9.21_125.5295m/z	125.5294549	9.2092	pos													892.0654837	985.4993774	923.7627682	997.3355422	971.0863455	936.2840053	873.138175	936.4688976	870.8807587	849.5157045	920.46927	1019.826062	953.9739268	1010.549441	1032.263979	870.1583138	1059.120879	938.0574066	1016.475426
9.21_126.0331m/z	126.0331033	9.2092	pos													3690.500752	4152.315596	3530.021542	3842.766221	3829.306008	4269.008186	3922.04263	3917.051788	3427.359858	3780.419633	3492.310812	4231.724319	3803.94934	4378.248024	3798.688065	4137.641569	3616.969631	3703.184473	3709.033135
9.21_279.1577m/z	279.157747	9.214166667	neg													694.7719485	725.5321573	932.5555344	573.1865677	1384.184626	1329.661223	357.7133694	1736.406108	1214.544592	498.4226153	371.6874512	504.2688406	1104.753452	753.5023494	773.3809499	480.3837976	474.5586156	419.3058044	962.7872218
9.21_436.2164m/z	436.2163654	9.214166667	neg													576.5738913	729.3948891	923.3549533	896.8114838	1081.813406	528.2332699	795.7177453	1189.773198	590.337668	614.904114	905.8209082	814.6268024	763.6736953	807.6706804	607.990742	553.8472513	556.4608953	709.1081838	952.8555013
9.21_443.2322m/z	443.2321534	9.2092	pos													1163.902683	1944.119752	1728.533276	555.2165069	0.000297236	528.279994	2298.501343	0.000297236	756.9405136	2359.379146	2569.814751	575.3020387	818.9014038	11152.72925	2637.875882	718.5914902	1341.141458	1281.201581	4714.432448
9.23_298.9940m/z	298.9940109	9.232483333	neg													1564.617751	1820.817807	2077.389818	1572.582397	1982.182129	1729.04098	1634.271995	1821.117035	1319.397938	1833.032233	1772.820938	1565.391522	1633.719565	1658.380018	1969.203733	1814.068372	1951.61397	2125.879049	1959.954951
9.25_156.0209m/z	156.0208536	9.2497	pos													3530.914122	3461.104255	3522.311656	3700.879142	3198.996943	3263.61711	3380.33894	3399.87224	3288.673383	3218.7967	3695.186387	3568.882581	2794.676215	3415.944269	3570.050746	3698.915352	3625.076857	3032.124399	3244.770118
9.25_253.2038n	276.1930342	9.2497	pos													10578.66583	8669.074372	10480.37087	10485.1236	9103.865518	9955.958565	10424.22439	10162.52285	10038.50528	9881.239546	10404.56912	8528.299882	8797.337359	10341.38148	10489.85006	10301.48923	10398.86086	10492.43	9747.313565
9.25_307.1163m/z	307.1162877	9.245416667	neg													3897.749622	3401.452809	3746.058534	4739.132281	7237.250101	4108.245568	7585.640643	6709.191042	6280.485049	5109.994174	6755.204335	6887.855871	8493.824852	6245.175928	7490.399958	8388.18892	5123.304165	6099.327166	9236.16329
9.25_324.1064m/z	324.1063602	9.245416667	neg													2514.69903	1515.823046	1941.289042	2547.0437	3708.818215	2119.332142	3623.291072	3501.79211	3316.597214	2379.336955	3289.887249	3888.479745	4659.94483	3216.533137	4113.535038	4693.519161	2656.60569	3229.655788	4948.496153
9.25_339.0079m/z	339.0078924	9.245416667	neg													1812.393834	1616.926999	2087.773063	1755.881113	2168.750302	1612.72571	1538.882635	1881.340912	1480.085618	1963.024592	1655.489908	1370.256111	1956.747492	1853.800387	2184.581896	2009.713753	1964.462251	2265.92571	2270.096187
9.25_375.1037m/z	375.1036543	9.245416667	neg													949.8642302	939.1670286	1050.279273	1443.221265	2055.578362	1153.021553	2057.202062	1700.530394	1897.73713	1443.970133	2156.258614	2051.365393	2641.59772	1846.949784	2277.387621	2368.713941	1233.490382	1572.552522	2668.727648
9.27_325.0099m/z	325.0099183	9.2672	neg													33900.71833	33492.36961	33687.16051	33868.31821	33129.36981	33412.84526	34363.11385	33511.43344	34613.77948	33399.9708	34722.00535	30940.66951	33816.69468	31982.9543	33844.28012	34112.48843	33171.86003	34935.04403	32297.62646
9.28_264.9343m/z	264.9343345	9.277366667	neg													1675.477451	1878.082157	2200.769704	1765.813368	1971.110586	1618.607476	2022.936386	1776.559786	1689.730116	2115.611383	1641.509796	1411.161992	1807.547119	1467.210385	1894.29407	2067.595395	1498.82277	2008.106182	1839.611208
9.28_325.1842m/z	325.184234	9.277366667	neg													1531.260673	1090.792745	1703.46525	1344.299973	1490.503467	1401.355371	1535.442399	1334.953766	1266.544418	1557.511686	1281.772989	1150.265483	1406.472539	1310.621021	1411.996546	1554.111405	1378.583074	1381.253802	1525.384613
9.29_355.1949m/z	355.1948689	9.2858	neg													3073.958995	2739.677475	3369.425745	2414.285814	2533.519788	2237.693122	2499.800075	1509.614307	2140.059595	1994.561206	2159.225369	1960.175965	2336.153521	1717.273821	2324.409129	1275.417537	2094.642029	2380.902051	2076.838685
9.29_442.2923m/z	442.2923235	9.2858	neg													785.8067707	860.2172655	1085.267774	1523.329652	1944.268987	152.8682142	1639.61902	3298.824255	638.7166059	2970.90201	811.3124376	650.5630092	788.7816921	453.6386195	1511.963814	1589.322928	864.1672063	952.2572251	1065.527306
9.30_425.3023m/z	425.3023273	9.295433333	neg													971.7536644	897.7503673	1464.913574	1975.861027	2152.624062	239.5170218	1940.73302	3210.085651	1045.348584	3288.502427	984.2695192	499.683094	1018.407562	655.515654	1790.038057	1893.667578	1159.160942	1102.349417	1227.561192
9.31_203.9708m/z	203.9708176	9.3109	pos													2083.397565	2256.249865	2042.289128	2096.093523	2094.91438	1985.647448	2075.35181	1960.727102	2001.154716	2125.534218	2138.827487	2351.202542	2040.03665	2429.336844	2409.788712	2371.989434	2182.677351	2249.767269	2303.657013
9.33_350.9885m/z	350.9885427	9.327066667	neg													2310.016932	1921.203808	1935.15395	2032.845847	2033.570778	1638.283832	2386.960601	1680.229158	2172.051401	1814.866546	2362.750833	1705.145667	1924.687683	1914.171994	2003.90314	2090.507949	1942.480151	1941.92512	1870.8537
9.33_374.9896m/z	374.989587	9.327066667	neg													14164.60986	14327.01764	13752.97185	14065.27618	14194.28522	14104.19776	13757.93669	14166.45763	14506.45527	14473.08978	15138.84457	12206.82905	14499.02933	13540.59432	14155.63818	15574.52658	12883.5555	14006.19245	13234.23984
9.34_288.9917m/z	288.9916522	9.342166667	neg													14145.70091	11888.64826	12631.03519	13402.71978	11967.09844	12282.48413	11665.98462	11634.89843	12914.51233	12367.49394	12792.83642	11786.96072	13957.017	12476.74478	13190.26297	13442.39175	12822.74178	12569.81172	12264.09048
9.34_379.0010m/z	379.000999	9.342166667	neg													20330.08899	18988.16569	21192.5738	20120.75074	20111.09994	20025.78318	19008.37544	19480.66046	20101.25165	19819.79899	20486.21338	18260.29966	20175.20336	19266.38863	20114.60092	21069.6729	19579.58083	20109.00398	18590.30931
9.34_379.2490m/z	379.2490082	9.342166667	neg													871.1630139	1037.005719	1129.021264	1004.089284	494.4011325	445.561593	591.6713405	1584.553707	304.5077096	246.8310165	523.5980305	1397.00802	1102.275113	1155.943717	1341.261749	1001.31527	740.4554733	863.7480771	631.5147851
9.34_465.0176m/z	465.01764	9.342166667	neg													9846.751349	8257.055407	9887.181035	7977.160124	8813.375156	7964.726658	8912.859174	7786.223922	9352.515664	9642.120035	8816.834446	8191.135392	9147.783553	8749.289106	8867.316057	9573.090254	8525.580694	10481.80837	8157.144768
9.35_159.0697m/z	159.0696646	9.351483333	pos													12128.63782	9949.310117	11432.86293	11848.76288	11274.49484	11755.90983	11564.95567	12205.99255	11365.28501	12138.42853	12193.1842	10666.66527	10192.43717	10293.80954	11345.42517	10762.53807	10684.83886	11085.33148	11125.62494
9.35_186.9923m/z	186.992297	9.351483333	pos													5187.937241	3611.749474	3676.635988	3699.102894	4026.775119	3749.394913	4033.364164	4595.846669	4946.694781	5188.736152	5050.376148	3874.303406	3296.998585	3514.688742	3505.7481	3150.259728	2011.585175	3111.441784	2828.270765
9.36_242.4975m/z	242.4975454	9.357366667	neg													4124.344277	3449.918805	3915.069916	3736.94325	3875.521247	3577.296919	3546.162842	3538.136177	3595.406934	3461.248295	3565.960235	3711.655265	4325.712331	4089.358998	3841.949061	4408.661814	3766.600712	3975.894644	3786.714134
9.36_581.2407m/z	581.2406741	9.357366667	neg													2183.200862	1695.668602	1557.648528	1425.549498	2636.043534	2500.640981	836.1768102	1698.246984	2193.474999	1584.007979	828.4659761	3210.003344	1313.19629	593.6299378	1850.104126	1276.059952	2087.580517	2095.674413	3175.337612
9.36_673.8758m/z	673.87577	9.357366667	neg													6091.601404	6424.705425	5530.302201	6006.19398	5348.645278	5620.577587	5464.093599	5683.273877	6434.759189	5485.202906	6738.297953	5748.805132	6557.089502	6032.265793	6492.223921	5446.983355	5900.947789	5773.198364	5394.312093
9.36_804.4373m/z	804.4373241	9.357366667	neg													2377.429287	2305.148116	1546.377703	1703.680988	988.2582599	2211.248669	1234.99504	2275.584317	1748.526827	1640.906636	2256.932741	2317.209939	1495.363665	1182.828893	1835.692366	2414.277239	3081.486235	2680.407101	1710.656601
9.37_209.0958m/z	209.0958178	9.371833333	pos													2433.891716	1486.661631	2004.768685	1833.163097	1993.818174	1726.418824	1942.42	1839.093447	1611.697036	1980.352433	1668.683731	1593.503418	2099.795811	1907.520747	1694.935111	1421.764183	1769.663759	1810.758213	1715.232485
9.37_332.9980m/z	332.9979646	9.373733333	neg													14786.4832	14559.25112	14298.65866	14665.96909	15207.60445	14783.65025	14373.14915	14100.80835	14507.08386	14622.79894	14981.50311	13025.17736	14461.43146	14203.60568	14863.28964	14682.20238	14354.03844	14737.94064	14380.49313
9.37_733.3988m/z	733.3987722	9.373733333	neg													12849.42384	9871.321072	8174.421022	11464.78058	9320.708257	13644.51158	6229.177998	16379.36178	14991.01846	8897.68109	8894.002145	15514.28955	8358.597446	5831.101816	10761.9666	10444.02117	11585.54809	9968.530423	8523.25552
9.37_735.4125m/z	735.4124901	9.371833333	pos													5980.372778	4784.206297	5564.896225	6988.862051	5181.105855	6968.714487	3077.406422	10574.93811	9608.083009	5022.298927	4113.189605	10964.57407	2869.478136	3219.139822	6364.522176	5682.713971	5957.460503	6789.65479	4666.559319
9.39_327.0076m/z	327.0076438	9.393333333	pos													18798.85832	15329.51853	16223.56725	18024.65538	16077.82034	16919.01782	17132.99581	16818.26711	18333.08061	18141.53506	17867.91642	16210.22028	16684.27829	15967.52873	17749.34579	17383.578	15420.69408	15942.22715	16056.82805
9.40_225.8967m/z	225.8967053	9.39505	neg													4043.649788	3141.930484	3342.211655	3612.676775	3383.807794	3201.909599	3048.894204	3191.478448	3727.247185	3038.105723	3632.930079	3297.039902	3389.044242	3110.126513	3328.804194	3314.855507	3537.388644	3620.012351	3038.526545
9.40_339.0076m/z	339.0075588	9.39505	neg													3329.845625	2980.927426	2991.390228	3312.393544	3072.690426	3183.829579	2415.169369	2648.855176	3184.980771	2874.577544	2909.595773	3389.733899	3499.181087	2759.912997	2839.558549	3018.827627	3253.458893	3698.240089	2948.957052
9.40_371.0141m/z	371.0141262	9.39505	neg													3233.325445	3266.500456	3458.741419	3243.467904	3399.763671	2830.155173	2844.626079	2541.232576	3096.021625	2898.281976	3216.297198	2973.975863	3509.496921	3091.092926	3517.116672	3278.638321	3245.199387	3466.129332	3107.07857
9.41_296.2192m/z	296.2191841	9.41445	pos													22782.48237	21540.38711	22617.3003	22777.4583	22911.99964	23680.88911	22327.46225	21912.74674	20855.54007	22167.50795	22385.42526	22148.92496	24260.77946	24483.12303	25763.34217	23934.51661	23978.44646	24384.53682	21493.12094
9.41_317.0026m/z	317.0026105	9.41125	neg													1926.694117	1500.623593	1322.692713	1519.380182	1574.371262	1407.163507	1261.611497	1562.586506	1534.454056	1684.118553	1187.714987	1588.993731	1832.37	1572.964981	1629.041807	1416.347953	1259.440176	1807.292364	1320.622965
9.41_322.9935m/z	322.993501	9.41125	neg													29046.93757	28790.06583	28870.8854	29830.07709	30719.1025	29420.49859	29853.07369	29076.6095	30131.92241	29827.14868	30989.03021	27274.83949	29280.77784	28962.08079	30634.21822	30060.51038	28408.46955	31496.42	28583.98234
9.43_414.0127n	413.0056954	9.428766667	neg													5573.427002	5350.692128	4995.111809	5661.534864	4936.535914	4817.546801	5172.55391	5604.465697	4348.242339	4959.732143	4550.32549	4396.304123	4767.443696	5155.531626	4936.015959	4652.555525	3754.754113	5669.646644	4913.139343
9.44_152.0163m/z	152.0162774	9.4351	pos													3108.733655	2507.235268	2624.516356	2729.456473	2619.15273	2953.050878	2588.763778	2620.596932	2540.741084	2709.992994	2720.759221	2325.55361	2698.107704	2421.864517	2811.823288	2824.340833	2480.467458	2782.921891	2460.932909
9.44_211.0352m/z	211.0352307	9.442216667	neg													2857.289634	2276.664373	2618.461198	2730.079502	2407.384506	2321.812045	2450.062009	2293.800465	2366.680328	2424.808906	2329.557982	2710.897808	2300.821826	2578.314649	2576.074481	2614.541234	2385.425863	2579.483099	2585.814916
9.44_370.9949m/z	370.9948745	9.442216667	neg													25800.5993	25980.10647	26618.08841	26867.57884	27493.68709	26409.81958	27728.10419	27179.41925	27726.32496	27275.38162	29099.51609	25023.28086	27362.58824	26432.92416	27903.8602	28222.00478	25348.54318	27101.27382	25815.20094
9.46_318.9822m/z	318.9822177	9.456933333	neg													1466.970681	1587.789789	1629.121675	1523.502231	1596.00331	1540.250691	1622.461677	1382.534344	1376.00566	1376.776553	1657.592103	1240.254656	1557.21151	1529.684068	1702.568409	1773.81834	1286.432076	1764.593111	1315.230333
9.47_325.1842m/z	325.1841919	9.46865	neg													2054.478329	1816.562181	2208.755039	2029.474578	1828.220275	1921.649574	1968.842568	1985.709055	2033.142457	2047.92683	1714.649188	1907.853905	1624.64711	1959.776429	1962.1105	2163.638958	1905.319163	2280.198557	2066.901144
9.47_394.1481m/z	394.1481342	9.46865	neg													161.6123254	135.3285661	221.7756233	396.5919421	445.2328361	63.18033254	427.6192036	390.4932972	439.9110021	164.2691255	249.4625278	440.6798649	401.9934938	428.150995	346.4302825	346.9269558	186.3603977	392.8073802	329.9655171
9.47_590.3415m/z	590.3414741	9.46865	neg													273.2827569	264.4970739	241.6099643	127.6217306	463.2285237	350.7131688	0.000297236	0.000297236	0.000297236	196.2186456	0.000297236	0.000297236	204.1701604	123.0417959	198.0437421	463.1215447	341.8742453	670.9709097	102.988159
9.47_632.3516m/z	632.3515791	9.46865	neg													2291.380064	2130.457563	2550.279006	3616.653852	1968.621355	4074.581848	1277.598117	4633.231309	3456.349823	1266.890355	1571.250026	5720.68384	2154.74319	1804.013984	2262.595105	2757.797221	2171.844511	2459.739563	1588.241916
9.48_244.9850m/z	244.9850303	9.478216667	neg													1985.677738	1984.202316	2322.167183	2058.378258	2040.019432	2034.403174	2310.781399	2357.688847	2476.865344	2354.469039	2242.746176	1738.351966	1777.796556	1697.805912	1978.132329	2132.493855	1920.700727	2120.245977	1930.1076
9.48_306.1942m/z	306.1941814	9.47695	pos													1328.028127	1486.613074	1584.122833	1698.859406	1508.001477	2096.370086	1823.970377	1696.768414	1635.98009	1472.473186	1764.841964	1195.618229	1470.490495	1372.393554	1182.157071	1305.394635	1601.110246	1393.435118	1626.483966
9.48_306.6959m/z	306.6958682	9.47695	pos													507.5531657	387.0584356	598.4209053	427.0466016	370.7984501	467.1095735	479.1162581	481.7400286	569.8108435	346.4238108	552.581309	403.9816599	440.1211996	478.1461538	383.9746638	262.6539362	378.2517618	328.0154205	422.6568624
9.48_320.9978m/z	320.9977712	9.478216667	neg													3695.026575	3470.797348	4129.97772	3994.635454	3658.957861	3739.006195	4263.247274	4089.917767	4186.266164	4372.293057	4022.86181	3562.570112	3333.20819	3377.233171	4073.022962	3560.563731	3575.14898	4109.729217	3928.950975
9.48_583.2546m/z	583.2545566	9.47695	pos													24573.39523	25924.047	26087.47074	22919.77747	35015.53642	34727.86063	16627.06199	23665.00192	31534.38914	21544.65813	12910.65569	48607.28352	19367.72511	15238.85188	25980.05661	21205.61263	25792.56793	28395.67009	44203.25929
9.49_396.9915m/z	396.9914648	9.48835	neg													4880.954278	4901.5267	5673.750668	6020.088932	5309.911313	5213.48568	5790.674191	5668.500676	6264.566434	6098.263412	5832.176449	5398.299579	4660.43024	4800.886257	5348.144214	5348.213488	5180.303298	5752.846154	4861.645928
9.50_1052.5705m/z	1052.570479	9.4975	pos													3796.995097	2354.907506	2379.099139	2462.846463	2826.187023	1592.917206	3158.043869	1526.47084	1611.220005	3469.617245	3107.214079	2985.356618	2975.482987	3289.217959	3051.675432	5210.003817	1910.16692	3401.633692	3600.405627
9.50_1052.8214m/z	1052.821382	9.4975	pos													13455.32535	11604.17838	17500.31196	11248.78176	15414.38026	9758.484755	11121.90355	8439.790394	9081.7588	8289.777553	13507.11997	10945.33815	11391.74244	10513.15631	13081.9728	11479.02525	13644.15663	12299.89309	10866.02544
9.50_1053.0723m/z	1053.072342	9.4975	pos													16168.23632	14591.20923	15164.16033	15880.88732	12390.95376	14807.29941	13487.12197	10414.42766	11368.25178	10900.43933	16304.55741	14916.19945	14251.03647	18984.27186	13881.95918	14617.075	14684.7062	12696.83502	11869.95212
9.50_1053.3228m/z	1053.322803	9.4975	pos													13432.16085	11147.66197	16285.99658	14183.07309	12025.11208	12390.77743	12180.20147	7782.541319	10711.199	9211.071555	12710.29653	13365.22599	11641.53384	13417.54192	10928.4351	13325.12938	10879.89602	11622.96023	14012.57012
9.50_1053.5732m/z	1053.57316	9.4975	pos													6246.533786	6682.011252	8595.037761	6430.189841	8453.788838	6289.378008	10082.29038	5113.351856	6909.552643	5645.126147	6131.655273	7674.404335	5234.481511	6897.907149	5912.657288	8633.736372	4857.226333	5552.602442	5118.093956
9.50_337.0093m/z	337.0093168	9.503466667	neg													24745.08791	24445.68213	25422.56119	26069.08608	25808.18004	24498.02404	25546.05249	25666.21509	26227.68026	24883.90757	26564.78221	23760.38093	24976.87706	25180.23249	25263.83875	25473.3186	24023.41839	24300.97918	24717.7348
9.50_356.1508n	401.148717	9.503466667	neg													5240.704701	7010.144045	7242.532771	6981.37268	5260.513604	7358.785359	4808.711069	4527.545258	7200.696153	3072.448655	7311.581947	6157.575283	5489.396611	2355.085882	4983.71456	7274.901142	7137.146742	8689.060711	7708.092633
9.50_356.9988m/z	356.9987892	9.503466667	neg													2239.614104	2623.555605	3316.441759	2733.579784	2850.468006	2728.711629	3447.633745	2958.945255	2790.250571	2696.208061	3588.446706	2124.045011	2355.238043	3007.991158	3118.862258	3050.424728	3013.361159	2880.942635	3112.908046
9.50_365.0040m/z	365.0039626	9.503466667	neg													3168.860269	3035.870536	3336.813577	3120.836916	3351.78082	3289.566528	3655.279797	3652.283891	3054.124342	3510.249886	3417.613462	3033.238105	2895.610242	2887.997156	3351.295286	3350.56959	2642.664248	3181.640274	3210.586953
9.51_241.9958m/z	241.9958009	9.514716667	neg													39520.3041	33795.62045	36699.16062	37377.94548	38241.43124	36333.42023	37523.65163	35427.0721	35822.05996	35666.19205	36806.01575	37064.33155	38945.63648	38680.39543	38378.89092	39192.64621	36478.27502	38759.65487	35062.35174
9.52_287.2211m/z	287.2211063	9.51775	pos													10523.81263	9534.247058	9795.621267	9932.741095	9642.79284	10387.41667	10142.58043	9991.233551	10070.22271	9793.887445	10307.65201	10085.34348	9779.813159	9657.490904	10641.77286	9423.807216	9745.99738	9572.170845	9196.581384
9.52_296.9972m/z	296.9971889	9.523083333	neg													3816.598059	3573.137168	3949.221476	3883.493013	3657.846006	3708.283848	4054.832285	4234.373946	4042.78777	4151.807555	3918.252314	3618.898233	3744.289943	3913.715401	3692.822514	4035.781868	3741.778071	3998.171443	3771.370328
9.52_315.0072m/z	315.0072152	9.523083333	neg													4101.154796	4013.012194	4234.785244	4149.192096	4486.818713	4037.490444	4253.943857	4363.124022	4601.455713	4669.442876	4652.780368	3822.309052	4225.78255	4257.397727	4011.154185	4466.040917	4201.29082	4166.78992	4013.844367
9.52_411.0074m/z	411.0073571	9.523083333	neg													6638.869792	6919.6409	6882.814933	7192.560702	6892.929257	6659.0013	7217.550384	7304.587667	7642.042687	7260.784807	7034.426971	6553.9298	6509.93138	6519.650593	6583.033812	6736.74599	6514.585389	6670.983132	6577.647298
9.54_193.1224m/z	193.1223517	9.537783333	pos													2561.94439	3205.964529	3254.904473	2880.018112	2860.366228	2973.065249	3248.477174	3184.529988	3105.795644	3273.731622	2984.730273	3285.428636	2992.264046	2853.045512	3233.693839	3408.725002	3094.050358	3003.819952	3050.171099
9.54_241.1335m/z	241.1334886	9.544916667	neg													85.51510925	138.2903067	95.4978022	45.07416516	162.6904436	75.23115245	158.9521546	113.5044377	106.5207391	107.5302438	99.37733695	0.000297236	146.4930268	124.3846148	38.47028988	82.17349244	81.42545968	75.9064843	97.2596369
9.54_307.1163m/z	307.1162777	9.544916667	neg													5766.854802	4533.382011	5736.228194	4270.273773	4568.953266	4049.369784	6253.657493	4881.760051	4627.131111	5545.321786	5932.331094	4693.576696	5401.642998	5031.795005	5020.832138	5032.451849	4578.260879	4448.338403	5988.975196
9.54_311.1841m/z	311.1840717	9.544916667	neg													739.752382	774.2261316	680.0521641	389.9792893	1011.750881	1511.617907	314.9283976	177.9726406	269.5064331	478.1101284	473.2091256	211.2008149	2903.34318	1139.644357	550.7964344	264.4396098	523.7665659	373.3640848	677.4262413
9.54_324.1064m/z	324.1063677	9.544916667	neg													4525.455644	3794.832596	4328.392427	3427.772475	3728.973544	3168.496745	4995.762122	4074.553197	3589.240394	4452.28344	4735.998192	3931.579007	4327.186867	4403.787065	4138.049467	3965.60926	3766.27228	3357.356569	5278.789822
9.54_375.1036m/z	375.1035977	9.544916667	neg													1219.310252	864.79136	1225.893022	875.3243282	851.9409475	1000.641655	1125.589125	932.3455027	820.9100683	1055.621025	1127.331189	881.7510624	904.0266361	923.1164865	1194.996657	1101.170551	947.5176967	832.1015197	1069.829804
9.54_379.1717m/z	379.1717077	9.544916667	neg													260.9456205	229.1780988	284.2747231	91.87668598	391.1931731	568.749131	75.84709339	0.000297236	115.8851419	182.3659817	189.2523841	0.000297236	1153.321847	643.1044236	290.1448603	211.2777793	144.4317952	73.08518502	247.6852854
9.54_403.0015m/z	403.0014999	9.544916667	neg													12425.33934	12573.77468	12952.38214	12665.91071	12844.02117	12200.81281	12180.70609	13266.42381	12705.75775	12439.03632	14457.25407	12179.42591	12772.16716	12743.09536	13181.98201	14449.00208	13135.31871	12338.53968	11986.83396
9.54_586.3460m/z	586.3459794	9.544916667	neg													2364.5199	2621.800448	3154.43513	2635.61031	2231.022132	2184.827414	2773.41716	3514.547257	3533.872065	1893.750395	2617.607938	4978.840235	1565.153136	1749.011404	2298.237918	2338.085868	2500.374827	2608.189712	2760.503647
9.56_144.0387m/z	144.0387308	9.55945	pos													4249.78729	3580.274186	3758.219836	4089.781066	3913.574022	3862.7288	3978.921403	4084.093457	3877.94262	3962.990676	4216.154483	3741.761923	3658.073249	3655.040448	3992.064765	3882.976162	4000.502977	4204.435962	3928.264789
9.56_375.2517n	398.2408931	9.55945	pos													76724.62726	85979.38563	79504.18996	38805.56608	33865.77812	37676.02968	37106.17422	44559.89381	39167.07018	32453.25887	45794.44523	37495.41258	39749.64306	33069.93975	50323.76338	52537.20241	34507.59868	33759.06572	41104.80126
9.56_421.3167m/z	421.3166746	9.55945	pos													15715.45857	15955.20144	15945.9676	7417.473258	6218.991844	7317.43196	7457.533487	8341.185577	7561.110709	6566.971508	10296.46493	5975.073792	8166.787525	5172.701959	7115.761299	8414.319708	5539.420549	6189.943513	7055.373936
9.57_225.8967m/z	225.8966615	9.566216667	neg													1468.322473	1776.267472	1636.553951	1738.77009	1795.579046	1565.170188	1647.44922	1843.714339	2037.178824	1928.108363	2043.667431	1557.352751	1860.490495	1458.043795	1640.848716	1810.597042	1768.020361	1038.1663	1538.211386
9.57_353.1793m/z	353.179265	9.566216667	neg													7389.270433	7327.23862	7775.903046	8676.620812	8680.764012	8183.669208	7735.759923	5629.683045	6856.031283	7284.489798	6823.859708	6578.400448	6476.706818	6424.107137	8084.741771	5221.102269	7187.262887	7233.880442	6377.450801
9.57_371.0141m/z	371.0140675	9.566216667	neg													1751.665669	1814.083518	1885.986371	1681.222257	1839.93071	1857.352438	1791.255656	2017.188684	2201.376778	2346.960797	1754.608842	1347.354368	1468.256384	1422.599244	1901.685809	1287.78783	1552.401823	1411.073777	1514.25051
9.57_375.2523n	420.2504661	9.566216667	neg													10289.81609	9176.78147	8407.221847	4408.600931	3848.300792	4144.670816	4674.476448	5977.355186	4666.804823	4940.149469	6461.609351	4317.634082	3968.428568	3648.391869	5951.566351	7549.399286	4703.708083	3875.672896	4651.344179
9.57_401.1944m/z	401.19436	9.566216667	neg													1460.794036	1602.780031	1815.896366	1989.406146	1178.771704	2301.0206	2302.501006	441.8122777	252.6617464	1472.859743	1215.69897	1460.86765	2121.819183	2968.418861	2569.973225	2047.527749	3072.362666	1339.641919	2153.627558
9.57_437.2406m/z	437.2405832	9.566216667	neg													3168.239429	2595.093208	2581.941948	1284.845792	1201.258789	1364.11232	1304.073133	2020.162426	1640.219955	1365.243205	1668.468875	1233.650919	1236.995817	1030.066619	1624.517113	2096.532298	1620.921379	1220.150617	1664.73184
9.57_513.2889m/z	513.2888971	9.566216667	neg													769.8794828	893.9194794	564.3443146	91.86645778	1812.522763	1955.628887	101.3777207	3075.149642	4717.290181	1349.423074	134.1732085	876.8644549	128.4930365	169.4316403	1422.547047	129.3281504	429.8832308	387.7205299	0.000297236
9.58_1048.5725m/z	1048.57247	9.580866667	pos													19921.94955	18814.39617	22071.00362	23849.99711	18552.85475	21578.97375	26991.28433	28123.48501	27093.56306	19550.35061	28458.09322	29799.33911	31461.31503	30241.72232	25988.91472	26516.57265	25879.79093	23148.94797	18797.58435
9.58_1048.8231m/z	1048.823072	9.580866667	pos													83715.92391	71984.29254	78559.68605	96561.93856	66547.68275	86419.83892	89911.01249	78620.93485	102699.2584	70150.9604	99374.27781	86557.81162	103121.1106	97942.94522	88185.1849	86873.24161	95407.94127	78970.30007	73791.10961
9.58_1049.0738m/z	1049.073759	9.580866667	pos													70518.40345	88206.55283	87918.94686	96519.07209	63010.9166	93790.152	94225.89	87912.60399	105634.3652	79927.398	109559.9386	102957.9675	99702.87998	106663.5989	92604.03856	105657.4312	97966.9762	86501.39167	84981.67249
9.58_1049.3244m/z	1049.324419	9.580866667	pos													70368.52198	67073.48501	68613.6815	77370.49122	47424.472	72337.06782	76384.04874	69817.4843	87852.67514	59680.66342	88302.92349	79905.45603	83057.4179	88863.51245	79616.77472	76831.9038	75281.73741	75575.25806	69660.12302
9.58_1049.5747m/z	1049.574681	9.580866667	pos													42331.59579	44263.5942	47144.50525	47301.19405	33931.31399	43100.40855	59036.85694	50694.59148	56501.71295	40448.49224	53310.02543	60037.50359	51926.77273	51934.78107	44832.50857	44827.45806	45131.89019	44113.88208	38810.26126
9.58_1054.5691m/z	1054.569101	9.580866667	pos													1587.879049	1844.798304	2054.488732	2396.121337	3369.028459	1532.924831	4632.606257	3611.010561	3356.37708	1114.756093	1410.571027	2859.777464	2240.596914	2980.213406	1663.963469	3471.07993	4252.045745	2710.595496	1459.022861
9.58_839.2596m/z	839.2595531	9.580866667	pos													17458.06616	24213.39498	23353.80338	28637.73196	16460.604	25733.36511	25027.03864	24907.3416	26545.18579	18792.03563	28825.30872	26384.16152	29007.76001	30511.56087	25795.58586	27922.29885	23888.56547	24061.57912	21171.94265
9.58_839.4603m/z	839.4602853	9.580866667	pos													20848.63971	23690.7072	28842.46118	34578.80524	19324.47769	27291.84364	24714.98167	32288.92554	35823.92844	20870.70999	30510.37056	34957.91689	31241.80973	31412.21464	29800.94229	31996.01253	30941.30105	26633.48753	27691.05815
9.58_839.6607m/z	839.6607124	9.580866667	pos													15874.0509	14711.19344	19895.84667	23256.38107	16837.4837	16904.0825	21151.13646	16406.44407	21934.52449	19188.41403	22907.49807	23162.207	17404.90323	15939.48791	14097.76499	20497.66294	19604.17903	20592.41771	14658.58661
9.59_355.1948m/z	355.1948063	9.58745	neg													3540.615043	3872.261171	4093.17664	3870.478529	3471.340833	3224.241853	3305.793762	2389.5592	2630.680545	3098.027981	2985.14784	2657.79977	2588.865007	2401.322279	2906.85511	2449.639742	3041.05855	2856.410881	2664.465496
9.59_385.0104m/z	385.0104047	9.58745	neg													34825.98647	34546.38085	34207.76487	33917.14322	33920.73969	33705.0284	33414.14438	33145.11631	35219.44971	34385.68698	35331.94875	31936.69616	33322.93541	33426.7846	33978.68187	34957.35668	33557.79614	35547.28619	31756.08782
9.60_175.9540m/z	175.9540017	9.602583333	pos													6555.819519	6216.122956	7279.416158	7108.893453	6557.605708	6469.380137	6499.201294	7025.004512	6932.715185	6757.099377	6537.815433	6538.060924	6636.300551	6628.406623	6979.808888	7448.453596	6939.140506	7069.229941	7054.639021
9.62_203.9709m/z	203.9708501	9.622833333	pos													3043.148281	3168.611002	3007.285938	3404.627775	2922.38577	3165.42368	3176.481559	2999.421429	2833.674552	3280.366134	3092.23395	3472.396643	3567.90492	3496.439181	3407.611792	3428.017618	3461.914159	3466.397666	3119.311552
9.62_307.0017m/z	307.0017233	9.624866667	neg													2212.651953	2475.875959	2286.614309	2669.639342	2525.921155	2083.971191	2355.374446	2642.669329	2538.717952	2753.779617	2761.648431	2083.835309	2475.026106	2292.072464	2603.937491	2821.541349	2192.110211	1780.804258	2049.356034
9.62_342.9999m/z	342.9998707	9.624866667	neg													32233.226	34087.37031	33099.40912	33811.38494	35746.01621	33298.39663	33993.77946	34202.95458	36008.68796	34808.49222	36857.76897	30394.97993	34129.72677	33111.86202	33900.76015	36043.16765	32914.24454	33875.84177	32608.79727
9.62_368.9989m/z	368.9989144	9.624866667	neg													5410.112899	5718.109678	6208.20983	6607.772903	6440.256548	5792.063193	6626.975535	6285.51609	6532.431001	6098.409658	6728.429699	5773.409952	5674.349254	5686.82215	6414.686768	6923.816769	5962.601123	5447.026037	5579.26272
9.62_419.0320m/z	419.0319621	9.624866667	neg													12490.9248	11877.14375	12340.29634	12189.51515	13238.02208	13252.24097	14100.11095	13605.82685	12810.70413	12009.05518	13499.85785	11455.95637	12787.74978	12018.74051	12423.06871	12906.28298	12218.27577	12897.98987	12265.71597
9.62_451.0377m/z	451.0376611	9.624866667	neg													33445.79764	34322.18612	33053.71585	32871.68347	33938.77424	34920.11767	33434.34716	33773.71734	32674.12009	35005.0267	36125.11712	31821.30056	35026.18039	32674.2921	35221.98485	36651.93036	31877.98805	33314.46936	33060.37831
9.62_465.0174m/z	465.0173701	9.624866667	neg													20466.89667	20774.18834	20305.0309	23171.82762	22832.81214	22500.19724	23072.29848	23644.24177	23966.03272	24063.06797	23745.84874	20470.14599	22099.40713	19196.64883	21275.44866	23441.87186	21098.30245	20845.31256	21550.41044
9.62_501.0002m/z	501.0001807	9.624866667	neg													1432.78038	1796.921028	1725.193417	2113.488059	1590.963355	1291.300637	1404.625619	1803.283186	1749.459881	1404.508998	1521.763364	1903.107838	1947.832679	1742.476573	1310.754747	1966.809144	1729.414615	1042.889609	1417.110818
9.64_234.1333m/z	234.1332577	9.6446	pos													10590.77591	10229.68566	9953.233083	10522.28604	10431.2228	10921.50153	11037.19822	10839.99692	10373.72058	11035.22494	11160.24857	11351.03962	10321.60327	10284.21946	10536.11838	11821.41679	10070.88453	10413.54468	10218.93748
9.64_351.0080m/z	351.0079926	9.644516667	neg													3048.584005	3251.447216	2773.368824	3141.359545	3337.525767	2576.376164	2793.224551	3314.704498	3430.439898	3356.909954	3473.834319	2800.253112	3607.831507	3084.433548	3143.145597	3350.480774	3408.644594	2244.548833	2404.682984
9.64_365.0041m/z	365.0040683	9.644516667	neg													2939.976247	3179.96092	2524.410811	3585.022739	3285.860274	2818.697675	2847.032542	2797.587535	2810.406975	3102.81479	3519.883203	2828.231042	3455.407975	3639.506639	3067.342194	3574.810384	3247.061923	3263.441422	2901.989768
9.64_383.0144m/z	383.0144456	9.644516667	neg													9926.51523	9363.579556	9389.908124	10156.50713	10187.43039	8932.445085	9207.587171	9759.922934	10064.08082	9617.947795	9637.504171	9120.638443	9998.991578	9433.890402	9971.807334	10504.66512	9307.369847	9474.688313	8730.614381
9.64_397.0100m/z	397.0099563	9.644516667	neg													15724.05052	14980.28923	13784.46977	15929.77553	16617.07962	15599.25217	16257.21964	16079.90283	16132.97171	16031.50854	17347.48073	14244.67824	15447.69045	15393.69305	16172.85261	16481.76289	15455.75903	15376.72098	14718.61448
9.64_516.3081m/z	516.3080675	9.644516667	neg													1233.668968	990.3896706	1039.406649	537.5013479	3722.505751	4278.52164	376.8870112	961.2817446	3196.714734	2966.242937	553.7183099	263.3351198	343.077491	422.9553194	5924.845344	314.4949268	792.1587333	1846.633078	201.7869663
9.64_570.3415m/z	570.3415111	9.644516667	neg													1278.220768	1445.918461	1005.687912	1669.133286	1292.309595	1836.144267	1813.778427	558.2873575	194.2931091	1466.640241	1871.96812	697.8685403	1726.04536	1398.092173	1190.426866	1379.781858	1390.663985	1119.63507	1660.135833
9.67_329.0031m/z	329.0031102	9.665633333	neg													2567.779669	2892.108578	2545.583847	3178.243709	3134.843626	3187.855639	2461.383415	3147.329301	2677.814601	2727.327582	3422.338478	2503.174429	2958.138823	3459.272587	2674.681907	3298.480299	2848.584046	3049.197254	2706.095363
9.67_505.2702m/z	505.2701618	9.665633333	neg													318.9771201	345.8419656	366.8995653	205.1022573	497.2199561	468.6417599	239.4909948	145.863158	221.6422797	286.3712037	329.3364362	165.5181067	222.9980672	450.6250842	0.000297236	303.1510424	108.3006528	258.4735797	215.7388887
9.67_545.3194m/z	545.3194246	9.665633333	neg													6097.375075	6094.959467	5166.188835	8886.605842	8095.271616	6170.612638	3547.794082	11616.81363	9113.742728	4697.803854	4918.471799	11831.99532	2872.852414	4120.269268	6139.008356	10510.56882	5303.915723	8116.721016	5155.969502
9.69_187.9409m/z	187.9408735	9.687416667	neg													5637.71776	4516.381761	5228.735389	5265.23772	5378.022051	5003.06963	5388.23134	4861.696145	4954.200778	5206.550143	4881.785582	4979.117784	5567.710501	5322.59985	5756.05717	5401.161538	5034.82383	5279.440568	5262.881525
9.69_331.0006m/z	331.000637	9.687416667	neg													2422.290088	2874.225215	2348.981382	3060.942776	2851.836959	2863.44968	2482.361354	3096.61045	2851.20279	2863.838608	3178.432944	2144.825955	2855.549086	3087.492693	2774.554477	2999.253811	2569.318849	2626.04966	2450.129753
9.69_335.0135m/z	335.0135021	9.687416667	neg													1712.252511	1782.477489	1490.880304	1740.771024	1400.906918	1540.903686	1607.93739	1754.926185	1368.42723	1388.874127	1932.800229	1116.206983	1688.219979	1647.192557	1520.964755	1492.862691	1474.66635	1477.55469	1316.22485
9.69_355.0001m/z	355.0001089	9.687416667	neg													34777.9806	35848.47896	34642.77905	36738.66283	37302.15087	35921.34133	38356.02223	36354.40206	36694.97472	38643.55249	39986.05406	34788.24814	35482.04873	35221.63171	36693.4828	37503.72586	34715.02259	35686.25861	33549.67545
9.69_361.0098m/z	361.0097961	9.687416667	neg													8933.53817	10283.68103	8943.943431	9335.066541	10740.34555	9303.354316	10962.57161	10179.76536	10815.66741	9615.494589	11142.39838	9415.570535	9665.215348	10078.95898	10334.49309	9995.160245	9874.494297	10306.19863	9758.305811
9.69_445.2572m/z	445.2572121	9.687416667	neg													3936.617164	3972.2862	3756.162903	4501.76951	2239.374736	4367.481867	6025.276654	0.000297236	0.000297236	8965.804097	7227.508844	0.000297236	1377.478532	2494.809858	9633.891217	8817.162306	6338.809656	9097.695981	1556.302784
9.69_513.2446m/z	513.2445656	9.687416667	neg													1410.162082	1359.780367	1171.693281	1502.689966	391.5089126	1533.415985	1951.506165	0.000297236	0.000297236	3125.262619	2318.022176	0.000297236	245.5716826	853.0859346	2935.759994	3017.126162	1989.752166	2915.714854	282.2215022
9.69_580.2871m/z	580.2871246	9.687416667	neg													6140.556332	6573.821577	5400.331774	6152.68024	10571.63876	7079.440903	6130.302792	5765.759614	7968.056306	4643.436473	5381.338242	8418.589991	10017.86458	8884.942732	7515.455718	5756.33162	4828.792952	5374.96972	8055.288191
9.69_648.2744m/z	648.2744168	9.687416667	neg													1682.392545	1518.903114	1338.439843	2008.463609	3762.416978	2151.227525	2098.858797	1967.318705	2819.111726	1371.374417	1444.147061	2437.008403	2806.490038	3397.052721	1649.167429	1860.989718	1737.287579	1422.272001	2284.726144
9.69_701.4093m/z	701.4093199	9.687416667	neg													2298.424937	2419.032158	2107.938301	3858.936938	3576.366035	4228.727731	2383.05476	2135.220413	1581.939644	2525.561305	2047.042851	1385.715449	3123.747601	3891.778189	2337.912089	4366.231633	1712.254531	2422.746589	3497.031723
9.71_443.0138m/z	443.0137541	9.7085	neg													7611.52385	9111.253943	6737.639668	7681.663669	8946.526471	8327.805178	9616.447038	8459.161839	8597.670465	8570.177668	8714.140376	6906.062117	8658.759303	8362.749762	8106.020509	8146.574066	7362.000299	7741.172706	7535.740832
9.71_776.9563m/z	776.9563076	9.708266667	pos													62385.55242	34744.28722	49920.96225	54360.51085	60354.65066	58201.57691	69936.01029	57341.54474	57679.28692	47818.6833	49845.42504	43752.55055	46622.71993	49945.9272	53795.14209	45125.59969	46008.29277	52756.04838	50701.6462
9.73_255.2194n	278.2086746	9.7295	pos													28577.85778	29297.99739	29081.14984	29981.88397	26884.14586	29442.43768	29166.75916	27426.98526	28444.5908	28279.86302	30499.42739	30444.55255	31125.98975	30449.18491	32560.85759	31969.82496	31747.55265	30622.63733	29678.2249
9.73_308.2459n	291.2426225	9.7295	pos													3327.033598	4054.951382	3754.106835	5629.425021	5220.671095	3632.407614	10052.53053	5915.864578	5603.987736	6501.913817	8724.949563	8265.690982	9055.727448	5997.163061	7646.783132	5660.052211	4881.333955	4901.838397	8664.785839
9.73_348.9921m/z	348.9921392	9.730366667	neg													1227.741309	1175.366106	1148.181168	1223.401389	974.945915	1307.598301	1139.077017	1389.096359	1101.57099	1338.455536	1439.116467	982.7454952	1738.155522	1500.711441	1180.322026	1218.867848	1362.797542	1243.435912	1141.366566
9.73_371.3154m/z	371.3154052	9.7295	pos													5898.137336	6340.893746	5935.137726	5307.358331	5480.412887	6370.059107	5887.991839	5922.140108	5862.512801	5995.289927	6723.57596	5718.742096	5813.400551	6097.405662	6382.591314	5582.258086	5963.975712	5407.869192	5218.344757
9.73_395.0129m/z	395.0129255	9.730366667	neg													6402.249584	7866.636524	6582.589722	7104.095136	7386.735141	7009.388174	6884.993663	7172.122117	7740.332791	6520.877666	8069.711635	5968.784013	7764.841216	7805.423514	7305.911412	7430.87276	6289.49354	6437.782191	7169.046522
9.73_396.9915m/z	396.9914574	9.730366667	neg													5790.808776	7689.320474	5920.530874	7269.374351	7107.375019	6550.538683	6570.223075	6975.898664	7013.574756	6675.704246	6979.262566	5566.018408	7141.23473	6761.126319	6645.0185	6517.815277	6149.755029	6225.301529	6237.825016
9.73_401.0052m/z	401.0052238	9.730366667	neg													21128.67091	23000.0594	21158.42922	22049.14184	22717.88624	22399.44687	21192.3381	22318.9612	23021.74094	21973.3586	23096.56186	19125.66173	21881.97675	21007.30756	22220.48882	22983.55728	21476.52977	21803.14392	22109.73245
9.73_439.0017m/z	439.0016731	9.730366667	neg													3048.208444	2944.049509	2572.314346	2864.47977	2424.733223	3629.98684	2615.61893	3859.095915	2832.61994	2789.148529	3235.90316	2920.608265	3529.469669	3548.398424	2227.06348	2941.204328	3152.28917	2689.87222	3005.206476
9.73_524.2785m/z	524.2784825	9.730366667	neg													8494.28097	6546.085625	5572.963578	6045.422565	5938.803207	6789.769143	6429.946521	6718.107784	7936.478776	7012.837074	7239.292819	4100.379056	5314.326147	6229.108915	8211.026992	6898.770937	5658.792993	5494.463743	5487.914469
9.73_777.2069m/z	777.2069245	9.7295	pos													30095.90442	18136.04585	25808.37465	24341.99849	28556.85283	26451.24236	32669.39131	24945.25268	24594.00389	23212.55306	25693.5537	17322.04871	21167.1083	25899.52414	26489.03421	23990.70454	22791.74597	22732.65806	23149.70862
9.75_226.8007m/z	226.8006504	9.748316667	neg													1707.702389	1410.974417	1430.341761	1653.498004	1865.19815	1713.424555	1374.06465	2119.93672	1446.126956	1536.953136	2041.109769	1424.522078	1840.438135	2010.002896	1775.163651	2054.848033	1710.369705	2152.169093	1773.214867
9.75_339.0078m/z	339.007819	9.748316667	neg													1233.809901	1622.716898	1477.511954	1727.860318	1697.9432	2090.663548	1426.65743	2317.851766	1456.065618	1776.185827	1924.07326	1361.865331	1902.959954	1657.704893	1287.497814	1417.921206	1391.833462	1815.999167	1684.227729
9.75_361.1633m/z	361.1633121	9.748316667	neg													748.0468089	1148.437619	744.6791077	1122.067026	1332.34089	928.9263294	1212.972633	1298.769995	1562.750621	849.2805303	1421.186291	978.0957675	1171.136008	1164.900133	2049.008983	1793.151586	1384.88062	1295.643604	1252.787247
9.75_401.0217m/z	401.0217493	9.748316667	neg													5261.869062	6555.373871	4755.899197	5589.300722	5752.742603	4962.739574	5208.763896	5286.570772	5785.222331	5277.233573	5629.858512	4487.585294	6178.276341	5495.628494	5892.61579	5360.396767	4931.042231	5391.065723	5320.68185
9.75_776.7057m/z	776.7056936	9.750733333	pos													44772.10811	26455.88286	40676.17379	42402.73464	38311.32069	42898.79231	66378.87572	44439.75215	44231.1779	36426.75821	37648.22585	35046.19073	34896.13664	35898.8454	41288.72315	37443.25118	39613.19091	40737.55192	42466.78592
9.77_244.9850m/z	244.9849752	9.769433333	neg													1011.850417	1280.486957	926.3737108	932.9431074	1206.013089	1210.114069	923.893041	1143.012083	1212.399839	1216.381791	1204.751542	740.5653176	1105.694343	979.7682385	893.9913573	974.3298263	933.0005906	1268.153926	1203.845399
9.77_256.5819m/z	256.5819309	9.77185	pos													1368.690147	1188.621755	1240.813761	821.9076289	1143.412902	736.8918535	917.8511314	2191.500862	790.5636301	915.4881311	987.8158368	912.7143587	1266.760894	1303.732971	939.7867079	934.1723818	704.587045	946.0573665	691.0476843
9.77_277.0954m/z	277.0954451	9.77185	pos													2284.636837	2954.881632	2406.630201	1693.233612	2376.600338	1768.750555	2431.687047	3576.487278	2158.640634	1815.793084	2097.068671	2284.578662	2478.144903	1924.596984	1614.705072	2284.235905	2178.667995	2366.375896	2112.668206
9.77_277.5970m/z	277.5970192	9.77185	pos													309.8782887	443.3835443	397.9642304	254.8262257	284.457158	328.7987633	274.8332636	665.1445998	167.7137133	208.2834456	316.6027781	178.967558	174.5231122	181.3611978	365.7985544	394.2921456	105.2439785	218.6413329	141.2851341
9.77_371.0139m/z	371.0138896	9.769433333	neg													1682.115325	2486.258761	1641.18526	1899.080888	1567.61406	2455.73568	1764.196681	2330.106818	1967.742725	1830.518114	2294.517268	1587.483385	2040.704613	1865.507817	1565.625733	1850.189181	1446.712196	1951.204343	2014.925677
9.77_375.0062m/z	375.0062251	9.769433333	neg													21458.58561	22696.85209	21134.13231	22415.69012	23301.54221	22434.64457	22874.53244	23704.15209	24031.41357	23744.83909	25518.79122	21981.8212	23043.51764	22383.2145	22972.48229	23273.03	21353.6552	23618.06579	21802.62154
9.77_377.0042m/z	377.0041672	9.769433333	neg													9457.285682	10157.16093	9334.492471	10104.83105	10799.65912	9960.799784	10686.23434	10364.77564	10574.09613	10324.85179	11459.43681	8664.139377	9991.544322	9083.339609	9566.460412	9718.055631	9952.303991	9940.201802	9787.202651
9.77_417.0167m/z	417.0166947	9.769433333	neg													40141.68427	38857.54644	38215.91663	38822.36881	42099.93854	38740.62638	40705.67241	41853.75594	40827.6626	41039.7183	43882.31518	38587.35055	40390.32533	39566.03615	40493.25254	43717.33844	38267.14763	41284.68102	38911.00168
9.77_421.0112m/z	421.0111513	9.769433333	neg													8024.951006	7991.566833	7467.92116	7802.647627	8723.166813	8585.349738	9466.640427	8121.357494	9037.06226	8038.939639	9312.657872	7596.602389	9039.318507	8881.768007	8424.532759	7973.484028	7999.922716	8926.857229	8221.87314
9.77_428.9984m/z	428.9984376	9.769433333	neg													4716.385668	6040.731885	5216.379567	6079.151484	6471.554575	6466.765948	5219.31715	5702.693668	5091.614341	5657.741466	6334.119289	4174.572807	5913.061313	6176.247499	5419.699288	6127.255978	5157.289265	6259.533204	5566.932401
9.77_433.0114m/z	433.011382	9.769433333	neg													34623.15636	36632.59767	35180.37141	36258.39222	38333.54511	35545.15665	38820.01199	37201.96496	35971.34308	38850.66969	37619.97323	34264.87544	34825.68479	34949.74858	36563.34153	37281.57628	34726.40718	36143.36716	34119.50542
9.77_490.9957m/z	490.9957366	9.769433333	neg													9584.48118	11941.62215	9544.147039	11087.00305	10972.47677	10910.02549	11636.28473	11345.65476	11692.41011	11285.89315	12741.23655	8986.61855	11190.18269	10410.84131	10375.00251	10494.41619	9777.128029	12309.07924	10987.69061
9.77_499.3133m/z	499.3132918	9.769433333	neg													939.5523063	1194.275622	1151.48737	1416.828104	972.0283625	954.4298187	1207.095192	1339.50668	1911.518619	951.4900732	2040.739538	2479.934084	747.3496728	582.2873818	1652.799638	1249.259706	1458.596129	1965.543704	1307.458568
9.77_828.4065n	851.3956797	9.77185	pos													19950.94865	21967.51999	22047.72786	8418.837597	21625.3399	11650.88891	11488.52903	51993.56226	10132.5827	9349.955432	12316.52718	16748.46323	19771.89207	15251.84991	7395.169878	9493.892568	10251.17451	11636.8322	11501.62125
9.79_318.9821m/z	318.9820949	9.79065	neg													930.0781633	1349.892774	1136.381368	1076.65603	1336.701194	1082.334302	1128.087174	1331.05297	1403.310288	1498.958175	1452.717467	1041.990124	1288.087495	1307.178241	1231.204989	1130.05275	1204.827872	1375.890462	1242.496252
9.79_340.9843m/z	340.9842839	9.79065	neg													1478.667671	1603.823905	1142.928169	1267.273308	1705.225151	1676.300138	1390.465066	1774.206078	1848.954448	1701.867904	1622.483717	1307.805054	1819.957823	1458.330342	1118.813069	1391.063128	1326.743564	1808.771441	1619.193898
9.79_439.0207m/z	439.0206979	9.79065	neg													13946.86077	14348.63874	11988.87746	14060.42029	16396.62581	15084.55805	15417.27165	15157.70538	16153.67258	13635.37307	15572.35285	12258.20695	15897.14728	14673.61809	15219.69296	14111.50762	14737.15331	14947.62559	13654.96477
9.81_207.1588m/z	207.1588397	9.81395	pos													1250.542865	990.7212459	1047.990737	1035.670861	1161.594214	1302.289922	1255.636247	1221.036969	1263.269716	1200.279305	1260.805447	1180.070766	1014.340232	1098.250223	1089.186702	1299.91514	1193.488463	941.4848219	1056.158647
9.81_353.1792m/z	353.1792186	9.812183333	neg													7230.124986	7949.710041	7196.13406	7836.472468	8957.533247	8201.392834	8345.002061	6278.092201	7205.451737	7193.270533	7616.161059	7005.492994	7592.313452	6972.999237	7686.776046	5134.67973	7248.431889	7460.489462	6068.935162
9.81_506.0135m/z	506.0135017	9.812183333	neg													24696.26141	24484.65955	23422.71507	25311.25111	26927.2533	25555.73444	28148.00441	26590.77961	28357.9753	25677.81436	27910.05437	24807.97054	25939.74215	24802.45839	24518.18205	26840.19188	25322.63044	26498.36419	25374.83337
9.83_332.9219m/z	332.9219111	9.832916667	neg													1012.833952	1290.77127	999.9659958	973.7664114	1370.269692	1109.360337	1333.005823	921.8655252	1304.543448	990.4927275	1144.03772	932.1494413	1333.585489	1053.497551	1352.507044	1127.61149	985.9116196	922.34507	1090.44553
9.83_365.0041m/z	365.0040732	9.832916667	neg													1914.074945	2190.559847	2050.951437	1949.156963	2255.751002	2152.448837	2772.62406	1806.712888	2612.229409	2114.048986	2256.827656	1807.42103	2171.843859	2106.935124	2240.193139	1927.675897	2136.529194	2031.676054	2017.629574
9.83_380.2565n	361.2386192	9.832916667	neg													731.0309524	664.4911102	494.0276368	359.2357833	552.2940866	338.3019057	407.7961551	1753.278642	888.51037	531.8289677	104.4213214	1291.297621	1037.373207	851.8735131	957.8601834	624.371239	511.6391061	324.6014218	440.7952651
9.83_382.0244n	363.0065609	9.832916667	neg													13435.14381	14847.74848	13050.08138	14301.91042	15356.36687	14423.49086	14115.07645	15413.77997	14701.08294	14621.48728	16613.14461	12433.9987	15577.36696	14122.03183	14586.64671	14440.9814	14201.60454	14499.35002	13892.54186
9.83_382.9952m/z	382.9951802	9.832916667	neg													3561.525683	3803.371242	3367.071676	3601.608534	4459.831434	4263.223329	4454.761974	4261.978434	4506.252973	3815.688271	4431.176707	3944.659118	3637.528144	3643.601838	3884.480879	3690.896059	3524.910281	3748.508294	3940.927691
9.83_420.9925m/z	420.9924862	9.832916667	neg													3927.783319	4183.857196	3792.063446	3839.306949	4645.887329	4461.50828	3820.106918	4736.74768	4566.389159	4276.092151	3938.348973	3177.762196	4349.55177	4320.522918	3961.47992	3689.286789	4619.611647	4617.409433	4409.752656
9.83_425.0052m/z	425.0052445	9.832916667	neg													21811.49892	22958.91152	20885.81536	22225.19994	23740.72823	23141.25532	23608.08007	22629.45431	23295.18326	22549.39794	25598.23872	21100.39988	22487.42701	21364.17585	21574.35911	23310.64407	22049.70108	22654.14679	20155.256
9.83_470.0359n	469.0286456	9.832916667	neg													132841.1722	130780.1287	131313.2872	138753.9877	137447.0061	136343.7674	139365.3807	134627.5126	135356.1417	135843.048	145203.4168	126769.342	133820.2021	129790.5897	131967.6642	139619.232	131455.2698	135955.3536	129089.9088
9.83_483.0093m/z	483.0093094	9.832916667	neg													79942.08175	76734.48444	74673.69062	75562.30472	78162.26027	77620.07415	77909.11242	77090.22928	79261.62142	80065.26624	84216.70926	72728.03542	75922.61291	75931.59763	78629.96281	79388.49079	77066.80303	81170.06765	73394.03234
9.83_483.3340m/z	483.3339846	9.832916667	neg													105.7537436	120.3323527	90.66307449	206.122139	224.7527776	181.4239798	0.000297236	114.2639633	84.72070052	86.39674215	173.6651626	239.3959618	0.000297236	0.000297236	98.37698707	113.3684227	123.2185568	173.931604	128.4290713
9.84_255.1950m/z	255.1950053	9.835733333	pos													3381.470998	3335.937646	3544.03778	3318.826871	3436.609184	4059.679101	3144.140286	3370.862837	3794.745259	3484.971159	3553.361026	3753.619667	4071.847084	4166.345195	4037.308286	3908.87432	3382.674633	3510.432324	3942.470794
9.84_380.2616m/z	380.2615862	9.835733333	pos													4467.614444	5160.359425	4264.780906	4232.059683	2423.155706	1969.798351	4419.830426	11888.30301	8855.589613	2037.798927	4842.981672	8309.991313	4535.058449	3161.091537	2549.653028	5097.923036	3866.608745	5822.272038	3996.323714
9.85_163.8961m/z	163.8961216	9.854016667	neg													11897.03715	11193.15988	11372.88743	11565.99384	12232.20458	11639.76988	11492.75057	11626.257	11870.96318	11682.14762	12192.57186	10620.73708	11611.96843	11167.49996	11443.1467	12197.72572	11663.24639	12057.59064	11292.42194
9.85_356.9794m/z	356.9794409	9.854016667	neg													2677.019478	2838.891955	2811.498623	2809.094244	3182.535949	3081.802807	3190.628975	3084.828032	3008.635204	3132.201595	3287.016629	2921.283232	2939.48875	3039.839926	3120.997555	2770.315952	2893.992203	3264.020563	2749.657434
9.85_429.0159m/z	429.0159272	9.854016667	neg													7013.860452	6046.370074	7132.204919	6630.651097	8265.781989	8143.088464	8096.020793	7578.924101	7095.663821	7172.320562	7808.798777	7924.144354	7082.86662	6482.727388	7852.052851	7368.860564	6773.543408	7407.623174	7251.350287
9.85_449.0230m/z	449.0229558	9.854016667	neg													60193.94479	57870.06891	57626.76322	56562.19302	60270.38984	60007.69443	61342.42488	59180.32309	61921.69764	62309.34764	63437.06304	57495.60017	59549.13674	58326.7099	59586.05895	63092.55114	58461.61714	60999.22643	57528.7648
9.85_502.2705m/z	502.2705088	9.854016667	neg													2237.253021	2364.188711	2063.12009	1842.759698	4314.718698	2036.15263	2458.81474	1577.440304	3521.634302	1979.637614	2653.176868	4213.862787	3419.617734	2337.363439	2280.775741	1450.083701	2027.145868	1654.481245	2228.444282
9.85_503.0153m/z	503.0153029	9.854016667	neg													14738.0014	14825.89201	14791.8637	15323.04251	16429.43832	15508.01597	17099.50092	16077.84136	16117.0987	15151.32106	17160.82361	14981.91429	15324.03682	14367.06278	15943.66775	17114.32118	14331.0489	16414.94433	15942.80191
9.85_529.2897m/z	529.2897493	9.854016667	neg													1262.240802	1143.111434	1372.139679	1331.726598	2359.63072	1197.99062	1444.637375	650.9742506	2083.636919	1081.042422	1358.674024	2700.192516	1701.102351	1420.731083	1252.365335	910.4253492	1118.242937	957.9075441	1681.737636
9.85_566.2502m/z	566.2502341	9.854016667	neg													9416.113164	8650.915744	8986.443275	11332.34771	12517.67965	12159.31552	11029.96514	2030.073153	2537.665845	10244.70586	11281.11659	3346.776217	20633.15602	18319.1769	10629.60902	8853.28468	9632.173763	9901.878831	20710.80167
9.85_634.2378m/z	634.2377631	9.854016667	neg													1430.968325	1398.721455	2067.451912	1692.83172	2351.51316	2600.586087	2016.567991	182.1819988	160.3249167	1482.725448	1938.877372	424.1302136	3939.13842	3595.027424	1696.908447	1212.162576	1705.206733	1827.047471	4869.913395
9.85_648.2746m/z	648.2745866	9.854016667	neg													5023.937587	5220.617361	6141.718751	6220.096543	11681.9748	7132.330775	7288.753662	5032.24036	9488.5853	5813.053932	7383.496413	12227.49183	8909.609838	6520.785104	6838.123767	4656.322556	5740.772111	5335.150346	7588.870188
9.86_303.6437m/z	303.6437099	9.8569	pos													723.8954273	792.9213404	970.4984285	999.9378296	1112.904054	948.8614327	1101.71026	717.5259871	1024.715251	481.315444	747.6513645	1680.1521	975.8350553	1138.27423	1028.108104	583.1706527	867.7263489	853.6688708	1182.835228
9.87_130.9911m/z	130.991075	9.874866667	neg													355.8705135	437.2033089	445.7622108	414.2441496	414.049376	432.2816215	713.9541138	425.3041094	602.097506	497.5052407	614.4863202	401.7357767	429.9390486	422.4225567	452.5385688	385.1298428	424.0708862	469.8147388	411.273554
9.87_188.0917m/z	188.0917463	9.874866667	neg													94.55378772	93.80268448	119.5000244	150.3467184	152.3069904	69.99817412	119.7494663	149.2786644	234.2615461	57.28428294	131.1878662	211.8712228	121.3290968	78.27402067	65.41815929	36.54597346	60.784716	105.8154946	96.77130088
9.87_314.9879m/z	314.9879186	9.874866667	neg													1249.185582	1387.081901	1621.482896	1519.973732	1765.113408	1414.543334	2082.152264	1451.846924	1952.299706	1570.079325	1860.919812	1374.867647	1427.618009	1286.656611	1708.384209	1643.690683	1374.120888	1454.910036	1435.68898
9.87_380.0088n	379.0004967	9.874866667	neg													25997.7707	27802.57667	26483.51569	26716.81149	28126.16114	26020.67379	28484.82428	28497.00006	29381.98055	29346.8242	30058.71273	27747.03812	25989.93698	26085.18506	26867.95149	27236.78155	24848.20095	28029.27516	25675.68261
9.87_389.0048m/z	389.0048212	9.874866667	neg													4487.168208	4977.534542	4521.127327	4811.317072	5225.680404	4870.138593	5657.400366	4787.524447	5807.886928	5144.288069	5785.43631	4978.039471	4847.780285	4632.51387	5078.238538	4292.201372	4203.832438	4511.632555	4778.441926
9.87_392.9977m/z	392.9977395	9.874866667	neg													9530.626023	10827.06381	9485.455644	10453.41391	11711.40861	11105.92814	11378.14672	10915.80264	11177.18179	10730.62261	12604.76293	10053.15955	10752.7788	10632.1916	10712.12726	10848.18851	9783.677521	11154.45487	10677.65779
9.87_403.0204m/z	403.0204481	9.874866667	neg													1796.190946	1512.825903	2144.098405	1761.990995	2228.273174	1930.368047	2841.187949	1720.748416	2167.358758	1956.874108	2461.303596	2007.773609	1705.507022	1891.83105	2299.275921	2040.910344	2230.756366	1862.501363	1701.772524
9.87_409.0109m/z	409.0109206	9.874866667	neg													2765.938069	2784.1189	2319.56061	2304.408075	3069.068055	2694.838922	3142.466017	2560.727234	3415.114427	2556.376119	3130.139121	2613.163408	2356.107269	2923.399922	3049.17705	2929.078698	2534.472376	2471.365743	2725.221234
9.87_415.0015m/z	415.001499	9.874866667	neg													33610.15338	32070.7427	32561.01823	31290.26403	34911.99835	33008.37637	34917.55084	33807.53081	33180.20208	34286.35132	35633.63914	31243.10958	32769.51927	31541.02989	32979.57387	36511.37887	31807.19117	34830.76092	32316.37186
9.87_557.3291m/z	557.3291475	9.874866667	neg													240.7189574	330.9294514	378.0326691	410.6860735	504.656148	366.697654	379.5786198	321.0329529	433.1077233	0.000297236	142.4778758	284.7690949	486.680229	340.2984191	302.7446326	197.7087681	566.9562701	266.0704884	740.893541
9.88_544.2663m/z	544.2663046	9.87715	pos													7799.122841	9796.506635	9822.199518	11816.53349	9624.044284	10031.46788	9879.655478	1679.783823	1382.084802	9244.185052	9540.75082	1486.697437	15326.34139	14563.91724	10529.47337	9002.124634	9076.596883	9539.615928	24324.63639
9.90_299.6252m/z	299.6251503	9.898883333	pos													489.3798073	511.0035166	476.1662064	637.1956423	674.9342366	630.8320662	587.9047471	91.75817974	245.6611246	722.0892799	398.2102221	157.0555788	1615.94871	872.0481095	689.7540026	460.7698252	562.7333369	410.8838348	1545.097581
9.90_307.1527m/z	307.1526881	9.896683333	neg													504.9788997	546.0327206	499.1928999	237.7894189	708.6138743	529.9192291	432.6171276	1166.617237	908.7605812	241.7554823	437.8105441	497.7393684	682.4425157	692.6594925	841.6600445	689.5639916	598.6033868	693.083065	936.3842847
9.90_332.2611m/z	332.2610758	9.898883333	pos													2207.448178	2552.781135	2770.093291	2278.421435	2063.706048	2428.745083	2633.40172	2474.344879	3329.76713	1322.328972	3088.438694	2522.714356	2689.257682	3231.430386	2367.021778	2056.068674	2527.001301	2982.557106	3131.704951
9.90_413.2867m/z	413.286712	9.898883333	pos													10476.21393	11392.62363	11071.56797	10662.27175	11185.93223	11107.91168	10979.05189	10481.61231	9449.677014	9809.118495	11138.90942	12061.08188	13730.2708	11766.43515	12669.8798	10990.09832	10477.49583	10876.63594	10509.64207
9.90_469.0114m/z	469.0114228	9.896683333	neg													2991.284441	3305.546594	2942.211287	3063.954059	3360.731063	2731.285531	3556.42853	3548.748738	3271.933236	3208.408198	3409.876907	2587.989615	2888.829893	2749.505548	3783.103711	2789.226216	3039.528627	3722.689084	3412.037693
9.90_471.0084m/z	471.0083884	9.896683333	neg													49743.02796	49406.46101	48087.2841	50064.95856	53002.99946	52121.25975	51057.60155	51819.08594	53214.99538	52807.71283	55348.06267	48939.33553	50804.21168	50697.13603	51382.55375	51148.26566	50004.54186	48527.26212	47659.94519
9.90_654.3029m/z	654.3028756	9.896683333	neg													5697.905785	6061.032399	5770.710993	7830.993848	7932.092395	7662.272031	9269.565752	2806.566541	3496.848228	7650.508991	6441.867199	3891.050791	14809.23127	12352.99674	8315.098256	6015.223893	7208.758123	6315.867243	14647.40982
9.90_722.2901m/z	722.290092	9.896683333	neg													1134.157752	711.6206658	984.7841515	1168.030163	983.9081215	1429.99668	739.3063825	145.0831348	228.8134103	1132.495502	658.1060744	429.8603483	2255.335712	1675.068178	1147.045149	157.4520362	852.7702236	876.8571056	2843.858828
9.92_191.1640m/z	191.16398	9.92055	pos													2200.559589	1388.639314	1416.701654	1578.250005	1580.084133	1421.839634	1550.581118	1676.196606	1674.223237	1798.513223	2126.173147	1747.172729	1843.060261	2227.510864	2078.148299	1974.813863	2004.712506	1476.414412	1577.658266
9.92_217.9792m/z	217.9792072	9.92055	pos													1354.734597	1310.792041	1243.119302	1280.713081	1195.320762	1240.157193	1511.171947	1377.540002	1457.469222	1204.056075	1401.694166	1397.170911	1082.570825	1454.369403	1355.050156	1705.638235	1626.727587	1567.969433	1306.620354
9.92_226.8007m/z	226.8006538	9.918016667	neg													1060.865296	897.6795727	1139.983047	961.8090257	1111.568435	1052.822779	1379.189757	998.8439253	1015.805104	914.978418	1307.84999	1358.266889	1141.71145	1084.116517	1135.592716	1035.270584	961.9299646	1167.897289	1156.509477
9.92_329.0031m/z	329.003138	9.918016667	neg													1588.144555	1771.45876	1807.227196	1723.405631	1860.152264	1701.874304	2254.890157	1615.695996	1993.839147	1746.278136	2191.627864	1994.30638	1663.447343	1625.71502	1744.73497	1702.059702	1588.57167	1936.172913	1705.776209
9.92_380.9978m/z	380.9977585	9.918016667	neg													8797.637039	9930.504333	9813.168839	9305.30584	10256.52438	10591.94368	11016.93383	10396.82187	10423.88161	10796.01421	10521.4298	10099.43606	9113.130604	9332.379891	9776.733447	10004.1854	9037.030111	11182.1704	9771.213506
9.92_388.9859m/z	388.9858877	9.918016667	neg													1338.53907	1530.509891	1368.312917	1491.561613	1841.470293	1399.363575	1875.390888	1270.327807	1482.363808	1390.215802	1776.185174	1721.754129	1597.235081	1370.522943	1435.966219	1575.373356	1522.278534	1605.958911	1675.14847
9.92_488.9992m/z	488.9991718	9.918016667	neg													2720.822338	2895.592738	2747.17603	3028.929205	3142.318902	2750.96213	4061.917744	2336.409829	3710.516984	2482.950814	4068.126533	3458.196372	2477.702395	2598.752845	3209.320398	2707.832447	3149.633519	2420.12031	2603.231281
9.92_555.3415m/z	555.3415491	9.918016667	neg													4766.317735	5264.887184	4678.914549	2538.237078	4299.125429	3909.489625	3373.833883	855.6198701	164.1994777	2882.824873	2674.526065	1249.046599	4622.888715	4044.578167	3138.144663	3930.411825	3649.863613	3132.88261	3377.420193
9.94_371.3153m/z	371.3153179	9.94225	pos													4023.089096	4648.444455	3942.755622	4278.883652	4095.477475	4173.082189	4119.992371	4159.778744	4389.060539	4214.253939	4545.615212	4594.59622	4494.1567	5164.932223	4684.010564	5460.902629	5563.954333	3727.425314	4150.141525
9.94_447.0080m/z	447.0079623	9.935916667	neg													31882.16834	35125.68674	32612.30042	33018.13422	34524.99449	34120.68826	34837.73813	34698.56769	34567.26352	34748.14639	36513.3627	30947.46468	33756.90286	31780.18097	34359.18129	34620.96134	32105.72268	34396.42125	32884.52811
9.94_451.2663m/z	451.2663324	9.935916667	neg													341.3132751	420.4175957	547.2528152	297.5010933	1049.237096	593.1147542	314.8334955	122.784914	548.203167	292.9190071	354.5586715	386.4045892	634.528529	591.7505349	323.4417162	391.9850247	349.9646827	272.949531	490.395133
9.94_458.2872m/z	458.2872166	9.935916667	neg													1177.375694	1001.436869	1542.397247	1898.118235	1293.183143	1126.783496	907.045297	1397.499692	1354.857918	712.9801454	843.5767811	2671.854291	372.711757	731.4947895	1391.975025	1624.479968	1208.474934	1754.45576	989.8872845
9.94_475.0198m/z	475.0197573	9.935916667	neg													19536.47037	20970.31229	18186.32159	21244.59832	22924.4364	21697.69732	23132.66905	22658.43946	22570.33868	21277.30004	24965.86271	21154.60309	22879.75298	21374.83391	23242.57869	22267.24666	20931.33391	19825.59335	20771.57014
9.94_481.0294m/z	481.0294106	9.935916667	neg													21748.40901	20700.14957	19277.33902	21485.47347	21264.48548	21910.66524	22470.14571	22838.92219	23471.07774	23282.18572	23499.96433	20720.50726	21589.74901	19881.96124	21941.15805	22911.74068	20412.74593	22194.66956	19885.63616
9.96_264.9343m/z	264.9343066	9.9571	neg													2677.105176	2956.838365	2657.692262	2685.994347	3152.233714	3227.613312	3544.623077	3156.369005	3302.363055	3113.49049	3273.627357	2746.308138	3050.541508	2657.055701	2649.609045	2781.755988	2582.796127	2692.613117	2853.39056
9.96_288.9916m/z	288.9916328	9.9571	neg													1360.341361	1274.567274	1339.749788	1406.015422	1599.140313	1226.084619	1762.579679	1337.777652	1499.30813	1444.537553	1707.883316	1769.406969	1410.14765	1460.710262	1244.045058	1476.830119	1445.506669	1581.143844	1432.37515
9.96_332.8967m/z	332.8966503	9.9571	neg													244.3941627	283.8994371	399.256564	372.3290142	228.9101041	261.669567	374.0609176	389.358986	456.0238791	285.4556388	410.0225192	263.4488719	321.9351828	291.2459541	291.5502134	228.2332582	191.7032793	434.2822889	408.797648
9.96_340.9841m/z	340.9840542	9.9571	neg													2643.986401	2898.645098	2896.003648	2753.880247	2893.845533	2534.665509	3484.257279	2839.359811	2993.466285	2876.570686	3296.314493	3368.039922	2613.764141	2682.788083	3043.559221	2903.61286	2579.800428	3280.30565	2680.439975
9.96_354.1742m/z	354.1741679	9.9571	neg													3031.400886	2163.662574	2456.185569	2304.923574	3210.621134	2884.161422	2167.475968	1226.414476	2813.627152	2576.840465	1936.293782	2291.780508	2539.894831	3560.777067	4460.419459	3671.289709	3549.313279	6328.270212	3058.260198
9.96_371.0138m/z	371.0137901	9.9571	neg													1940.257674	2317.781144	2014.352373	1858.625218	2025.713432	2052.655826	2181.675677	2195.435651	2545.108091	2058.19375	2603.583922	2745.717957	1922.62171	2100.25263	1608.966202	2278.612195	2059.663685	2113.687722	2089.204186
9.96_401.0050m/z	401.0050356	9.9571	neg													7907.9873	7417.723971	7245.05565	7508.348066	7040.539863	8043.029198	8056.284126	7588.057282	7637.205079	8608.18612	8771.919369	8691.315727	7292.724203	6887.591116	7225.396569	7872.080421	7399.167993	8414.268158	6879.245323
9.96_421.0288m/z	421.028795	9.9571	neg													2992.711894	2350.34836	2513.865147	2117.888663	2852.16767	3003.161342	2406.472744	3160.691656	2915.959233	2663.190829	3246.48878	3433.117938	2736.516432	2605.937274	3115.782473	3105.828925	2193.759611	2676.226158	2259.247647
9.96_451.0019m/z	451.0019381	9.9571	neg													15739.69346	15326.69993	14380.24699	15561.64033	16181.41288	15353.86665	16547.98975	15103.89236	16613.86298	15123.41985	16298.73857	16315.8743	15686.33068	14764.06377	16072.64878	15550.01605	15253.14753	15697.60541	13829.72651
9.96_500.3789m/z	500.3789186	9.963066667	pos													2981.040084	2928.193686	2695.078642	2901.611814	2895.158364	2718.902631	3501.690122	3241.949911	2747.084676	2878.613902	3420.851157	3385.718577	3010.627193	3548.159093	3670.41466	3450.376901	3811.122496	3559.627442	3678.733184
9.96_502.9957m/z	502.9956943	9.9571	neg													2487.825034	2074.729496	2764.140717	2972.777057	3048.980926	3408.381063	3850.18068	3033.029154	3896.789972	3224.320148	3739.948204	3186.319083	2772.469116	2354.142322	2690.771579	2735.744747	2120.624721	2576.280953	2880.22459
9.96_606.3012m/z	606.3011882	9.9571	neg													1062.567678	947.2921583	1161.80356	831.1497762	1816.663878	1481.176386	330.9766198	927.0907335	1273.773875	942.5821456	334.3510764	1113.688352	1538.076692	1005.539869	1097.223208	636.498709	1314.535302	892.9049871	1156.447284
9.98_401.0214m/z	401.0213534	9.978783333	neg													3146.700613	3498.223334	3506.56108	3412.118966	3241.715765	3494.931907	4061.997565	3381.648365	3714.49041	2960.604408	4058.852923	4305.816305	3573.935272	3718.693084	3698.361008	4001.178451	2948.848552	3744.289734	3341.37457
9.98_411.0067m/z	411.0066737	9.978783333	neg													6923.829409	6227.429659	6503.538436	6965.120342	6668.992302	6595.857612	7418.037926	7194.831107	6862.16715	6917.038451	7879.869829	7286.405623	5797.497329	6673.05799	6874.72507	7504.1701	6399.393484	8267.973992	6311.119698
9.98_468.2730m/z	468.2730196	9.978783333	neg													1329.42085	1057.617512	1004.777046	1516.785924	1352.209816	1438.87828	1770.132064	1253.95353	1216.716205	1045.208214	1281.55491	1020.774493	1797.883536	1467.307348	1347.853122	1189.919617	1553.4047	1516.591565	1465.804607
