Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST004341

(Analysis AN007249): Average values per metabolite and experimental factor (Units:peak area)

Metabolite structure	F1	F2	F3
10S-HODE	95271.88	305122.30	337952.90
1-(10-methyl-hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-gl...	21052.94	1.00	1.00
11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate	9086.94	1.00	1.00
11,12,13-trihydroxy-9-octadecenoic acid	154253.06	175185.60	176075.90
1,1^-Bis(2-hydroxy-3-methylcarbazole)	849650.25	268110.90	1.00
(-)-11-nor-9-carboxy-?9-THC-d3	1.00	1.00	35758.20
11-O-Demethylpradimicinone II	114307.31	1.00	1.00
11-O-Demethylpradimicinone II Esi-1.17	11270.56	1.00	1.00
12(13)-EpOME	63785.62	108342.00	1.00
12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid	1.00	1.00	31966.70
1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene	109562.06	119080.50	1.00
1,2,3-Trichlorobenzene	1.00	1.00	853308.60
1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-p...	28350.69	74445.20	1.00
1?,25-dihydroxy-24a-homo-22-thia-20-epivitamin D3 / 1?,25-di...	6630.50	1.00	1.00
1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25...	291305.06	1.00	1.00
1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,...	1.00	25254.10	1.00
1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxavitamin...	1.00	275698.80	1.00
12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione	1036311.81	856739.50	738778.70
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one	37378.69	30309.50	37094.60
12alpha-Methylpregna-4,9(11)-diene-3,20-dione	67131.56	80285.50	1.00
12alpha-Methylpregna-4,9(11)-diene-3,20-dione Esi-15.2185	67039.94	86831.50	65976.10
1,2-Di(2-pyridyl)ethylene	1.00	92774.60	156278.40
1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridi...	25617.12	46472.00	81932.20
1,2-Distearoyl phosphatidyl serine	25775.44	1.00	1.00
1,2-Glyceryl dinitrate	269586.69	97706.80	122838.70
1,2-Glyceryl dinitrate Esi-1.2638462	185576.12	1.00	1.00
1,2-Glyceryl dinitrate glucuronide	65638.56	42209.70	57836.70
1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-ca...	144792.00	95358.40	95448.70
12R-HOME(13Z)	405672.81	1.00	531419.50
12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid	121852.75	1.00	87358.40
12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid Esi-15.24628...	3220094.31	23682566.40	1.00
13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E...	52930.94	1.00	56576.40
13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E...	14656.88	1.00	33271.00
13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester	1.00	89619.10	1.00
13-(2-Methylcrotonoyl)oxylupanine	48957.62	34755.80	42786.30
1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione	11948.94	17620.40	26639.20
1,3,5-Trihydroxy-10-methylacridone	69534.56	54409.70	59360.90
1,3,5-Trihydroxy-10-methylacridone Esi-5.972	16666.75	1.00	22935.40
13-Dihydrocarminomycin	84553.75	1.00	1.00
1,3-Dinitropyrene	62199.56	1.00	73030.40
1(3)-glyceryl-6-keto-PGF1?	100099.94	112452.80	87310.80
1(3)-glyceryl-6-keto-PGF1? Esi-10.624619	48902.31	33339.40	30210.90
1(3)-glyceryl-PGF2?	52586.38	71006.40	63629.50
14,14,14-Trifluoro-11E-tetradecenyl acetate	102213.88	1.00	1.00
14,14,14-Trifluoro-11Z-tetradecenyl acetate	127.69	1.00	1.00
14,15-HxA3-C(11S)	1.00	2558730.80	1.00
14,15-LTC4	265672.69	213466.00	404841.80
14,19-Dihydroaspidospermatine	71927.75	1.00	1.00
14,19-Dihydroaspidospermatine Esi-19.115	50165.94	1.00	1.00
14alpha-Hydroxyixocarpanolide	1.00	1.00	32945.40
1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfat...	3990.19	1.00	1.00
1,4-beta-D-Glucan	69332.44	1.00	1.00
1,4-Bis(chloromethoxymethyl)benzene	1565920.88	929596.10	1204424.00
14-chlorotetracosane-1,15-disulfate	2297730.00	2132641.00	2236757.20
14-chlorotetracosane-1,15-disulfate Esi-13.981997	1280542.44	2729868.50	1.00
1,5-Diferuloylquinic acid	1.00	1114610.90	1.00
15-HETE-VA	1.00	67336.50	1.00
15-methoxy-tricosanoic acid	22771.44	75032.50	59053.90
1-(5^-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide	17349.25	1.00	1.00
15(S)-15-methyl PGF2? isopropyl ester	38627.75	1.00	1.00
15(S)-HETE-biotin	108485.81	98539.40	108089.60
15(S)-HETE-biotin Esi-23.795	1.00	349663.50	1.00
16:1 Campesteryl ester	1.00	47101.90	77550.40
1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-...	412956.81	563544.30	1.00
16-a-Hydroxypregnenolone	1.00	1.00	18193.70
16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid	152858.56	1.00	1.00
16-Hydroxy-10-oxohexadecanoic acid	1.00	1.00	12200.20
16?-Hydroxy-17-epistanozolol	1.00	117466.50	87492.40
16?-Hydroxy-17-epistanozolol Esi-14.794	1.00	1.00	49924.40
16?-Hydroxy-17-epistanozolol Esi-15.883	1.00	23418.50	1.00
17,20-Hexacosadienoic acid	31248.31	1.00	1.00
17,20-Hexacosadienoic acid Esi-20.101692	74908.69	123660.90	163174.20
17-?, 21-Dihydroxy-11,20-dioxo-5-?-pregnan-3-?-yl-?-d-glucur...	1309207.06	1171662.20	1144318.70
(17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene...	58302.69	1.00	1.00
17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol	30160.44	1.00	1.00
17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol	1.00	1.00	17081.20
17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-pro...	53662.12	1.00	1.00
17beta-Hydroxy-4-methylandrost-4-en-3-one	601259.81	520376.00	510605.20
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol	69173.12	37834.00	1.00
17-phenyl-trinor-PGE2	175820.44	168304.50	182107.00
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2?	8872.62	1.00	1.00
17-trifluoromethylphenyl trinor PGF2?	123681.00	1.00	1.00
17-trifluoromethylphenyl trinor PGF2? methyl ester	1.00	1.00	7245.50
18-bromo-8E,17E19Z-tricosatrien-4,6-diynoic acid	84220.94	88692.20	120000.60
18-hydroxypregna-1,4,20-trien-3-one	104596.69	123494.30	1.00
18-hydroxypregna-1,4,20-trien-3-one Esi-16.252502	84181.62	1.00	124122.20
1-(9,14-dimethyl-pentadecanoyl-2-(8-[3]-ladderane-octanyl)-s...	188496.94	455613.50	235455.60
19-Chloro-17beta-hydroxyandrost-4-en-3-one	1.00	16959.40	1.00
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol	554986.50	575176.30	496897.10
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol Esi-9.872001	331877.62	1.00	1.00
19-Hydroxycinnzeylanol 19-glucoside	842551.69	797068.10	780534.80
1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol	18717.88	1.00	1.00
1b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid	93947.81	142680.00	141848.00
1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoli...	26916.75	1.00	1.00
1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone	30168.62	24701.80	26173.40
1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone Esi-5....	1.00	1.00	6202.60
1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo-	1.00	261923.00	1.00
1-epi-Fortimicin B	327106.62	287488.60	315934.00
1-epi-Fortimicin B Esi-12.41777	138209.00	129574.40	1.00
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D...	252384.81	132173.90	93797.00
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D...	1.00	1.00	16915.10
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D...	1.00	134481.50	1.00
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate	314846.25	384181.90	368914.60
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate Esi-1.793000...	1.00	284400.40	1.00
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester	84995.81	71351.50	106881.10
1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-...	438258.81	1.00	1.00
1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-...	1.00	9437.20	1.00
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(...	392312.31	330230.30	306506.50
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(...	1.00	1.00	9698.30
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(...	13097.69	1.00	9698.30
1-Hydroxycarvedilol	159100.62	141925.50	154476.20
1-(Indol-3-yl)propanol 3-phosphate	94431.00	75378.30	106321.50
1-Methylhypoxanthine	24342.06	88601.30	1.00
1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfan...	51432.50	1.00	44039.30
1-O-2^-Hydroxy-4^-methoxycinnamoyl-b-D-glucose	1.00	1.00	66472.80
1-O-[2^^-sulfo-alpha-D-Mannosyl -1^^-2^-alpha-D-Glucosyl]-sn...	29811.06	1.00	1.00
1^-O-Acetylpaxilline	9009.81	1.00	18950.40
1-(O-alpha-D-mannopyranosyl)-(1,3R,25S,27R)-octacosanetetrao...	50469.38	1.00	1.00
1-O-Galloylglycerol	40442.12	169927.90	1.00
1-O-Galloylglycerol Esi-0.86399996	1.00	47551.90	1.00
1-Phenyl-1,3-octadecanedione	63383.62	1.00	1.00
1-Phenyl-1,3-octadecanedione Esi-19.642	34486.31	1.00	1.00
(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxo...	362940.69	574289.60	444079.00
(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxo...	503375.38	1.00	430714.80
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carbo...	39197.56	1.00	1.00
(20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitami...	20570.50	1.00	1.00
2,2^-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol	66798.88	91227.50	85109.60
22:2(5Z,9Z)(13Me,17Me,21Me)	1.00	1.00	13412.60
22:3-Glc-Stigmasterol	60508.88	48670.70	65795.50
2,2^,5-Trichloro-4-hydroxybiphenyl	1997381.88	1.00	4302456.00
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-18.394	311840.69	1.00	1.00
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-19.11475	259968.06	1.00	1.00
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-19.373375	337393.06	1.00	1.00
22-Acetylpriverogenin B	68475.31	1.00	1.00
2,2-Bis(4-hydroxyphenyl)hexafluoropropane	1.00	38051.90	1.00
2,2-Bis(4-hydroxyphenyl)hexafluoropropane Esi-0.66150004	12404.00	1.00	9134.80
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol a...	1111584.94	2227665.70	2176794.60
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol a...	1.00	885990.70	1.00
(22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,2...	92860.81	1.00	1.00
(22E,24R)-Stigmasta-4,22-diene-3,6-dione	1.00	123774.70	139881.40
22-epi-Hippurin-1	767081.88	1.00	1.00
22-keto-26-Hexacosanolide	126290.62	337952.00	1.00
22-Oxo-docosanoate	17411.94	1.00	1.00
22-Oxo-docosanoate Esi-19.509	8163.75	1.00	1.00
22-Oxo-docosanoate Esi-20.011	6187.38	1.00	1.00
(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epi...	38844.19	1.00	1.00
(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epi...	1.00	1.00	1084883.60
2,3,3-Triphenylacrylonitrile	1.00	34551.10	1.00
2,3,4-Trioxycyclopentanone	29612.19	66924.30	46622.00
2,3,7,8-Tetrachlorodibenzofuran	1.00	1.00	47263.30
2,3-Dehydrosilychristin	1.00	63293.10	1.00
2,3-dihydrothieno-Thiadiazole Carboxylate	1.00	90061.30	102721.00
2,3-Dihydroxy-4-Methoxy-4^-Ethoxybenzophenone	1.00	1.00	42164.00
2,3-dinor Fluprostenol	55534.56	55491.80	39367.70
(23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxyvitami...	1.00	1.00	509735.90
23-trans-p-Coumaroyloxytormentic acid	240019.12	1.00	375075.70
24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-di...	49556.69	1.00	1.00
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?...	214897.75	1.00	1.00
24,25-Diacetylvulgaroside	78255.94	1.00	1.00
24:2(5Z,9Z)(11Me,15Me,19Me,23Me)	1.00	1.00	9689.00
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	1.00	28003.60	1.00
2,4,5,6-Phenanthrenetetrol	44999.31	1.00	1.00
2,4,5-Trichlorophenoxyacetic Acid, Isooctyl Ester	13982.12	1.00	1.00
2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octylo...	1.00	3349876.80	3170930.60
24-Acetyl- 25-cinnamoylvulgaroside	346869.00	905042.80	811864.60
24-Acetyl- 25-cinnamoylvulgaroside Esi-16.903997	1.00	1156907.00	1.00
2,4-dichloro-N-propylbenzamide	16182.19	1.00	33271.70
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one	22191.81	96114.50	1.00
2,4-Dimethyl-2-pentacosenoic acid	52601.00	78873.30	62797.20
2,4-Dimethyl-2-pentacosenoic acid Esi-20.993261	50770.94	1.00	60395.70
(24E)-3alpha,15alpha-Diacetoxy-23-oxo-7,9(11),24-lanostatrie...	83801.75	1.00	1.00
2-(4-Hydroxyphenyl)naphthalic anhydride	253896.06	152285.30	236687.70
2-(4-Hydroxyphenyl)naphthalic anhydride Esi-7.146	1.00	3657.90	1.00
24-methylene-cholesterol sulfate	797677.75	1.00	1.00
(24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2 / (24RS)-28,2...	94790.56	126674.90	118177.20
(24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-...	551373.94	686737.40	593622.00
(24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-...	1.00	1.00	596575.30
25-Hydroxycholecalciferol (25-hydroxyvitamin D3)	8879.62	1.00	1.00
(25R)-11alpha,20,26-trihydroxyecdysone	79572.88	1.00	183848.60
(25R)-26,26,26-trifluoro-1?,25-dihydroxyvitamin D3 / (25R)-2...	1.00	1.00	5149.90
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine	22475000.69	66350000.00	65310000.00
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine...	3504201.31	987742.00	1.00
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rh...	278216.00	226245.70	261794.40
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rh...	17421.94	36372.30	63607.40
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rh...	1.00	1.00	262813.60
26,26,26,27,27,27-hexafluoro-1?,25-dihydroxyvitamin D3 / 26,...	313840.25	1.00	1.00
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro...	322783.56	371941.80	280400.90
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro...	1.00	1.00	279234.50
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro...	1.00	1.00	120422.80
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro...	55920.88	1.00	1.00
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro...	141184.44	1.00	214650.20
2^^,6^^-Di-O-acetylononin	18445.12	18541.20	1.00
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate ...	34256.94	1.00	1.00
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate ...	138505.38	1.00	1.00
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate ...	1355512.12	1.00	1.00
26-Hydroxybrassinolide	284927.88	1.00	1.00
26-O-beta-D-glucopyranosyl-22R-methoxyl-(25R)-furost-5-en-3b...	537621.88	537207.40	494866.00
2-(7^-Methylthio)heptylmalic acid	29506.19	63261.10	54548.80
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine	449354.25	1.00	1.00
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine...	1.00	1.00	77370.30
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine...	1.00	70084.50	1.00
28:7(n-6)	2958061.19	1144577.40	1422658.00
28:7(n-6) Esi-22.012001	34514.38	1.00	14277.50
29:2(5Z,9Z)(6Br)	11660777.94	10953620.10	9550801.10
29:2(5Z,9Z)(6Br) Esi-14.901	7529954.00	1.00	1.00
29-demethylgeodisterol-O-sulfite	501987.19	554429.50	599059.40
2-(Acetamidomethylene)succinate	1.00	1756949.10	1.00
2-Acetolactic acid	197902.81	1.00	179873.00
2-Acetolactic acid Esi-21.026	7201.50	1.00	1.00
2-(a-Hydroxyethyl)thiamine diphosphate	26486.44	47070.20	110337.30
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol...	80403.31	259343.20	268340.60
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol...	84299.12	1.00	271234.40
2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol	1.00	468762.90	1.00
2-Amino-1,2-bis(p-chlorophenyl)ethanol	122998.00	73990.70	104668.10
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine	54605.19	32447.80	48032.40
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-5.999951...	7978.19	18962.10	21419.70
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-6.372	1.00	2751.90	1.00
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-8.364308	32198.56	1.00	47540.90
2-Amino-3-oxobutanoate	470841.94	628639.00	1.00
2-APB	1.00	10564.80	11342.50
2-Arachidonoyl Glycerol-d8	25892.50	28065.80	1.00
2-Butyl-1H-benzimidazole	1.00	98220.70	1.00
(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone	80697.19	1.00	1.00
2-Butylbenzothiazole	1.00	23420.10	1.00
2-carbazol-9-ylbenzoic acid	1.00	1.00	86319.50
2-Chloro-1,1,1-trifluoroethane	1.00	1.00	99350.20
2-Chloro-1,1,1-trifluoroethane Esi-0.85225	79256.50	203275.90	1.00
2-Chloro-1,1,2-trifluoroethyl ethyl ether	6057559.38	1.00	1.00
2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.2605551	2379381.56	1856611.60	2294812.40
2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.5084999	1.00	4490383.40	2927542.50
2-C-Methyl-D-erythritol 4-phosphate	28233.81	1.00	1.00
2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone	160852.25	1.00	1.00
2-demethylmenaquinone-8	253770.56	1.00	1.00
2-deoxy-20-hydroxyecdysone 22-phosphate	31963.75	39049.00	25557.60
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-10.612	1.00	1.00	45970.70
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.433553	77128.81	95314.30	114897.70
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.438	1.00	1.00	96727.00
2-deoxyecdysone 22-phosphate	1.00	22249.80	1.00
2-deoxyecdysone 22-phosphate Esi-13.526	1.00	1.00	21971.20
2-Dodecylbenzenesulfonic acid	1.00	1.00	164398.70
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein	264615.44	1.00	176776.40
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein ...	87498.19	1.00	57679.80
2-Ethoxythiazole	1.00	1.00	970268.00
2-glyceryl-6-keto-PGF1?	17596.75	28760.90	1.00
2-glyceryl-6-keto-PGF1? Esi-11.426	1.00	1.00	121785.10
2-Heptenedioic acid, 4-oxo-	1212190.62	1.00	1.00
2-Hydroxy-22-methyltetracosanoic acid	20035.81	1.00	1.00
2-Hydroxy-22-methyltetracosanoic acid Esi-20.554382	15263.44	36065.90	34259.00
2-Hydroxy-24-keto-octacosanolide	406738.69	1.00	1.00
2-Hydroxy-24-keto-octacosanolide Esi-21.0155	7627.62	1.00	3989.40
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid	10547.75	18894.40	7937.90
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate	99810.56	1.00	1.00
(?-2-Hydroxy-4-(methylthio)butanoic acid	876501.00	929355.00	965624.40
(?-2-Hydroxy-4-(methylthio)butanoic acid Esi-6.1074557	911116.19	751406.90	809529.60
2-Hydroxyhexadecanoic acid	281174.88	363853.10	490689.60
2-Hydroxymyristic Acid	9635.00	1.00	45785.10
2-hydroxy-nonadecanoic acid	40812.88	21429.70	25169.50
2-Hydroxytenoxicam	1.00	1.00	50875.60
2-hydroxy-tricosanoic acid	68225.44	44636.00	48937.70
2-hydroxy-tricosanoic acid Esi-21.992998	4124.00	1.00	1.00
2-Imino-4-methylpiperidine	11704.56	1.00	20398.50
2-[(Isopropylthio)methyl]furan	398351.62	241325.80	1.00
2-Keto valeric acid	23574.00	1.00	1.00
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane	6920588.00	1.00	6886535.00
2-Methyl-4-oxopentanedioic acid	760703.12	302648.00	612473.30
2-Methyl-4-oxopentanedioic acid Esi-1.251	519056.69	1.00	1.00
2-(Methylthio)propane	1.00	1.00	13385.50
2-Naphthaleneacetic acid, 6-(sulfooxy)-	40355.06	1.00	1.00
2-Naphthaleneacetic acid, 6-(sulfooxy)- Esi-1.52	1689.38	1.00	1.00
2-O-(beta-D-galactopyranosyl-(1-6)-beta-D-galactopyranosyl) ...	68693.31	1.00	1.00
2-O-Caffeoylglucarate	59493.19	15891.90	26772.10
2-O-Galloylgalactaric acid	102976.38	163602.00	1.00
2-O-p-Coumaroyltartronic acid	1.00	1.00	89444.30
2-Oxopropyl-CoM	162199.25	18768.30	198321.20
2-Phenylethyl octanoate	277016.88	290916.40	244652.60
2-Phthalimidoglutaric acid	38484.44	1.00	1.00
2-Propylglutaric acid	8920.81	1.00	1.00
(2R,4S)-2,4-Diaminopentanoate	195581.69	194557.10	1.00
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1-6)-b-D-glucopyranosid...	204823.56	1.00	1.00
2-Stearyl citrate	1.00	68700.00	1.00
2-trans,6-cis-farnesyl diphosphate	21649.31	1.00	1.00
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol	3144.00	1.00	1.00
(2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol	1.00	51715.60	1.00
32,35-anhydrobacteriohopaneterol	525930.81	676731.10	639239.90
32:5(14Z,17Z,20Z,23Z,26Z)	267602.75	1.00	267772.10
32:5(14Z,17Z,20Z,23Z,26Z) Esi-21.008463	200894.62	231405.80	1.00
32:5(14Z,17Z,20Z,23Z,26Z) Esi-22.019249	6181.19	1.00	4682.10
3-(2,5-Dimethoxyphenyl)propanoic acid	79559.88	90380.90	86263.60
3-(2-Furanyl)-2-propenal	1.00	1.00	103771.70
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol	31466.94	1.00	1.00
3,3^-Bisanigorufone	99286.56	1.00	1.00
3,3^-Dichloro-4,4^-diaminodiphenyl ether	9754.31	1.00	1.00
3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol	1.00	1.00	20557.90
3,3^-Dimethoxybenzidine	145476.50	168074.60	140894.40
34:6(16Z,19Z,22Z,25Z,28Z,31Z)	61844.38	1.00	1.00
34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-21.001324	40684.88	100581.80	72745.50
34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-22.015	13622.88	1.00	1.00
3^,4^-Anhydrovinblastine	49853.94	36915.10	38301.40
3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate	1.00	1.00	19265.70
3,4-Methylenedioxybenzoic acid	9202.06	1.00	1.00
3,5,6-Trihydroxy-3^,4^,7-trimethoxyflavone 3-glucuronide	45542.94	1.00	1.00
35-aminobacteriohopane-31,32,33,34-tetrol	7727.31	1.00	1.00
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid	664966.25	1.00	1.00
36:6(5Z,9Z,12Z,15Z,18Z,21Z)(34Me[S])	995088.69	1.00	900829.90
3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid	109338.69	150013.10	194896.90
3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid Esi-1...	57306.06	1.00	1.00
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid	31472.00	1.00	54443.20
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-choles...	87276.31	1.00	1.00
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide	15806.19	32835.70	25634.30
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-...	1.00	1.00	54313.60
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-...	39649.06	62176.50	73177.60
3alpha-Hydroxy-5beta-chol-14-en-24-oic Acid	75305.25	77264.80	59578.70
3-Amino-4,7-dihydroxycoumarin	1.00	1.00	91984.20
3b,15b,17a-Trihydroxy-pregnenone	59647.81	1.00	1.00
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside	1485982.25	1805279.20	1449821.60
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.44...	688181.38	1.00	389297.20
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.66...	830884.81	1806889.50	1.00
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.68...	1409318.19	1805404.90	1607885.60
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-16.57...	1.00	1.00	33402.50
(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol	145332.94	1.00	1.00
(3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[4^-(2^^...	1.00	1.00	150493.00
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-...	487452.94	750448.20	810984.10
3-Benzoyloxy-11-oxo-12-ursen-28-oic acid	619167.69	601310.60	596964.40
(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,...	9661.25	1.00	1.00
(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol	42060.88	1.00	1.00
3beta-Acetoxy-19alpha-hydroxy-12-ursene	12811.81	53987.00	58705.50
3beta-Cycloartane-3,29-diol	132908.69	156760.90	329476.30
3beta-Cycloartane-3,29-diol Esi-21.035477	116789.94	263186.10	1.00
3beta-Fluoro-5alpha-androstan-17beta-ol	1.00	46218.70	65339.30
3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)...	19938.00	1.00	1.00
3-Bromo-tyrosine	50230.12	129798.90	177199.10
3-Chloro-2-hydroxymuconic semialdehyde	255194.56	1.00	625325.30
3-Demethylsimmondsin 2^-(Z)-ferulate	22810.25	1.00	1.00
3^-Demethylstaurosporine	167234.56	1.00	1.00
3^-Demethylstaurosporine Esi-18.837	1.00	1.00	139760.90
3-Deoxy-D-manno-octulosonate	80867.44	58466.30	1.00
3-Deoxy-D-manno-octulosonate 8-phosphate	137432.75	1.00	1.00
3-Deoxy-D-manno-octulosonate Esi-1.309	1286.25	1.00	1.00
3^-Deoxydryopteric acid	1.00	592454.30	375007.40
3^-Deoxydryopteric acid Esi-0.7716665	29781.56	68399.90	1.00
3^-Deoxystreptomycin 3^^-phosphate	352871.62	386909.20	329476.70
3^-Deoxystreptomycin 3^^-phosphate Esi-13.791	32451.00	1.00	1.00
3^-Deoxystreptomycin 3^^-phosphate Esi-13.794664	68009.94	131974.50	94607.40
3-Formylrifampin	68399.06	1.00	1.00
3-Formylrifampin Esi-14.060999	222001.88	1.00	1.00
3-Hydroxy-3-methyl-glutaric acid	300935.75	472521.20	882614.70
3?-Hydroxy-5?,6?-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al	152858.62	231664.40	194957.40
3-Hydroxy-7-acetamidoclonazepam	57725.56	46353.00	51712.50
3-Hydroxy-7-acetylaminonitrazepam	70834.75	1.00	51350.90
3-Hydroxy-beta-ionol 3-[glucosyl-(1-6)-glucoside]	1.00	452705.70	1.00
3-?-Hydroxydeoxygedinin	1.00	1.00	39440.40
3^-HydroxyIndinavir	47028.88	1.00	1.00
3^-HydroxyIndinavir Esi-15.330999	1.00	1.00	88614.90
3-Hydroxy-L-proline	227103.69	197225.10	236499.70
3-Hydroxy-L-proline Esi-0.955	17157.88	1.00	1.00
3-Hydroxy-L-proline Esi-1.23	1.00	84234.60	1.00
3-Hydroxyneogrifolin	21853.12	48149.30	57813.30
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole	21870.81	1.00	1.00
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile	44993.69	1.00	22442.10
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile Esi-4.29	39358.94	1.00	21748.90
3-Mercaptohexyl butyrate	22467.94	37328.50	61925.80
3-Mercaptohexyl hexanoate	181239.44	199104.20	180249.90
3-Mercaptohexyl hexanoate Esi-10.98	5090.88	1.00	1.00
3-Methoxy-4-hydroxyphenylethylene glycol	1.00	1.00	9218.00
3-Methyl-2-thiohydantoin	1331111.94	1.00	805156.10
3-Methyl-2-thiohydantoin Esi-0.82217646	1.00	366484.90	389760.00
3-Methylsuberic acid	7175.12	1.00	6242.10
3^-N-Acetyl-4^-O-(14-methylpentadecanoyl)fusarochromanone	301456.25	1.00	1.00
3^-N-Debenzoyltaxol	251653.56	284588.70	148937.90
3-O-alpha-L-Arabinopyranosyl-L-arabinose	1.00	6442.40	1.00
3^-O-Methyl-(-)-epicatechin-7-O-sulphate	43847.88	1.00	32752.50
3-O-Methylniveusin A	1214344.62	2208903.80	1.00
3-O-(Rhaa1-3Glcb1-2Glcb1-4Galb)-(25R)-12-oxo-5alpha-spirosta...	14668.38	40182.50	30329.40
3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spiros...	1.00	1.00	265310.60
3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spiros...	72567.12	218768.60	235349.70
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22...	118262.56	212206.90	1.00
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22...	1.00	1.00	77552.90
3-oxoglutaric acid	120993.62	1.00	1.00
3-oxoglutaric acid Esi-1.0950001	1.00	1.00	533850.70
3-oxohexacosanoic acid	55711.38	1.00	37335.00
3-oxo-tetracosanoic acid	12228.25	1.00	30896.80
3R-hydroxy-eicosanoic acid	16984.44	1.00	1.00
3-tert-Butyl-5-methylcatechol	180961.06	161493.60	157940.00
3-Vinylbacteriochlorophyllide d	1.00	37821.90	42396.40
3-Vinylbacteriochlorophyllide d Esi-10.615	1.00	1.00	20222.90
(3Z)-Phytochromobilin	195214.75	152279.60	1.00
4,4^^-bis(N-feruloyl)serotonin	250237.38	1.00	1.00
4,4^^-bis(N-feruloyl)serotonin Esi-14.83	1.00	1.00	88427.70
4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate	48297.12	1.00	147292.90
4,4^-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]	21265.81	1.00	1.00
4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylgluco...	36474.88	1.00	1.00
4,4^-Thiobis-2-butanone	31619.62	33030.00	54902.40
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-m...	331438.56	57492.10	1.00
4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin	157286.19	212349.10	251297.50
4-Acetyl-2(3H)-benzoxazolone	1.00	1.00	73018.10
4-Amino-2-nitrophenol	1752846.44	1.00	1.00
4-Amino-2-nitrophenol Esi-0.7922775	2833041.44	2114394.00	1426960.20
4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid	79179.31	1.00	1.00
4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosph...	52898.75	1.00	1.00
4-Aminoethylbenzenesulfonyl Fluoride	1.00	1.00	111258.40
4-Bromophenylacetate	1.00	1.00	104255.80
4-Carboxy-4^-sulfoazobenzene	57742.12	45996.30	52128.10
4-Carboxy-4^-sulfoazobenzene Esi-1.5220001	1.00	1.00	61148.60
4-Chloro-6,7-dimethoxy-2-benzoxazolinone	19548.44	1.00	21835.50
4^-Cinnamoylmussatioside	294829.31	243098.00	208802.70
4-Feruloyl-1,5-quinolactone	8700.38	29326.70	26932.50
4-Fluoro-L-threonine	38632.38	1.00	1.00
4-Glucogallic acid	252634.75	1.00	1.00
4-Glucogallic acid Esi-15.439053	192462.38	201582.50	205189.70
4^-Hydroxyfenoprofen	1.00	1.00	27732.90
4^-Hydroxyfenoprofen Esi-6.271	1.00	96245.30	1.00
4-Hydroxyfurano[2^^,3^^:6,7]aurone	213001.25	1.00	169568.40
4-Hydroxypenbutolol glucuronide	119758.94	106457.80	70761.90
4-Hydroxypenbutolol glucuronide Esi-13.303999	1.00	1.00	53573.10
4-Hydroxyrottlerin	1.00	1.00	9888.40
4-Methylburimamide	80846.44	99200.90	157116.30
4-Methylburimamide Esi-13.114	1.00	14399.10	1.00
4-Methyldibenzothiophene	3961.44	1.00	11215.10
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	1.00	10851.80	1.00
4-(Methylthio)-1-butanol	69258.06	1.00	1.00
4-(Methylthio)-1-butanol Esi-6.2737703	44805.06	96491.40	133912.90
(4OH,8Z,t18:1) sphingosine	2614.31	1.00	1.00
4^-O-Methyl-(-)-epicatechin-7-O-sulphate	690181.56	1.00	1.00
4^-O-Methylglucoliquiritigenin	264590.38	1.00	1.00
4^-O-Methylneobavaisoflavone 7-O-(2^^-p-coumaroylglucoside)	63489.94	1.00	1.00
4-oxo 2-Nonenal-d3	40792.00	27801.40	41837.10
4-oxo 2-Nonenal-d3 Esi-5.091	1.00	1.00	35016.10
4-Phenylbutyl glucosinolate	28542.62	1.00	46795.40
4-Phenylpyridine	1.00	211916.30	293044.30
4-Quinolinemethanol, 2,8-bis(trifluoromethyl)-	1.00	1.00	125582.90
4-Quinolone-3-Carboxamide Furan CB2 Agonist	1.00	43676.30	1.00
(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane	1.00	4541.60	1.00
(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid et...	194738.88	79222.60	75153.80
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentano...	51739.62	1.00	1.00
5-((2-hydroxy-2-methylpropoxy)carbonyl)-2-(hydroxymethyl)-6-...	68961.12	1.00	1.00
5-(4-Acetoxybut-1-ynyl)-2,2^-bithiophene	71853.75	1.00	54900.10
5^^-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1-3)...	41547.19	1.00	1.00
5,6-Dichloro-1,3-cyclohexadiene	1747779.06	1.00	6282615.40
5,7,3^,4^-Tetrahydroxy-3,6,5^-trimethoxyflavone	7572.12	1.00	1.00
5,7,8-Trihydroxy-3,6,4^-trimethoxy-flavone 8-isovalerate	60092.81	59173.10	38564.40
5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-...	49218750.00	50490000.00	48770000.00
5a-Cholestane-3a,7a,12a,25-tetrol	51773.69	1.00	1.00
5a-Cholestane-3a,7a,12a,25-tetrol Esi-19.3675	1.00	71748.90	74152.60
5a-Dihydrotestosterone sulfate	228239.31	161463.90	174393.70
5a-Dihydrotestosterone sulfate Esi-13.40978	79561.12	89770.00	67771.20
5b-Cholestane-3a,7a,12a,24,25-pentol	16807.12	1.00	1.00
5b-Cholestane-3a,7a,12a,24,25-pentol Esi-19.362	12091.69	1.00	1.00
5-benzyl-5-(pyridin-3-yl)imidazolidine-2,4-dione	21993.81	1.00	1.00
5beta-Chola-3,11-dien-24-oic Acid	1.00	1.00	104907.70
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-d...	170773.00	247782.10	256692.30
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-d...	12090.94	1.00	1.00
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-d...	25667.62	45430.60	43610.70
5beta-scymnol sulfate	7909.00	1.00	1.00
5-bromo-3-cyclohexyl-2-hydroxybenzamide	145771.06	137579.20	71190.80
5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one; R 2...	40359.19	1.00	1.00
5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amide	258878.31	283034.50	180101.70
5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]th...	28250.69	1.00	1.00
5-Fluorodeoxyuridine monophosphate	19919.38	1.00	1.00
5-Heptynoic acid, 7-bromo-; 7-Bromo-5-heptynoic acid	181523.38	498730.40	1.00
5-Hydroxy-3,3^,7,8-tetramethoxy-4^,5^-methylenedioxyflavone	58341.44	20756.90	26384.70
5-Hydroxybuspirone	549162.56	672129.00	608529.10
5-Hydroxymethyldeoxycytidylate	7295.94	1.00	1.00
5-Hydroxypropafenone	31595.31	58831.10	84588.80
5-Hydroxysulfapyridine	28043.69	1.00	44108.40
5-Hydroxythiabendazole	188701.62	116184.40	172411.70
5-Methylthiopentanaldoxime	703978.75	763287.70	593069.10
5-O-?-D-Mycaminosyltylactone	80773.88	142490.50	167940.90
5-Pentacosyl-1,3-benzenediol	17316.38	1.00	13058.80
5(S),6(R)-DiHETE	1.00	1.00	380293.30
5-Tricosyl-1,3-benzenediol	71272.88	87922.70	116667.30
(5Z,7E)-(1R,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestat...	1.00	1.00	36053.60
6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone gluco...	1.00	34850.50	34376.30
6-(2-Chloroallylthio)purine	1.00	1.00	86201.20
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ^^2b^^ aglycone	1.00	1.00	8185.90
6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol	1.00	10328.90	1.00
6-Bromo-5E,9Z,13Z-docosatrienoic acid	103406.38	1.00	1.00
6-Chloroapigenin	1.00	98191.80	1.00
6-Cyano-7-nitroquinoxaline-2,3-dione	22227.31	1.00	1.00
6^^^-Deamino-6^^^-dehydro-6^^^-oxoneomycin C	1.00	1.00	38887.30
6^^^-Deamino-6^^^-dehydro-6^^^-oxoneomycin C Esi-13.725	84395.81	1.00	1.00
6^^^-Deamino-6^^^-hydroxyneomycin C	1363891.00	1518518.80	1572621.00
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-13.429496	359470.88	369634.50	294041.40
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-13.670749	526869.19	1307076.80	1.00
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-14.769	11059.38	1.00	1.00
6^-Dehydro-6^-oxoparomamine	19039.00	1.00	66210.80
6-Desmethylprazosin	1.00	14518.10	20613.90
6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one	191903.06	1.00	1.00
6-HydroxyKetanserinol	444353.88	307182.00	309355.10
6-HydroxyKetanserinol Esi-5.773736	12123.12	20009.10	1.00
6-HydroxyKetanserinol Esi-5.9623346	32138.62	27757.80	35601.20
6-Hydroxyondansetron glucuronide	8119.81	1.00	1.00
6-Hydroxysandoricin	1.00	505234.20	495535.20
6-Methoxy-3-(2-thiazolyl)-1H-indole	1.00	1.00	129297.00
6-Methoxy-3-(2-thiazolyl)-1H-indole Esi-0.81799996	1.00	34245.50	1.00
6-methoxy Naphthalene Acetic Acid	386175.81	1.00	351144.40
6?-Methylprednisolone Acetate	295694.00	1.00	200307.10
6-Methylthiohexanaldoxime	288105.69	241363.50	271037.50
6-O-Methylarmillaridin	33659.75	64556.00	84446.60
6-O-Methylguanine	1.00	75284.90	1.00
6-O-Oleuropeoylsucrose	133349.50	36752.60	33527.70
6-Oxo-2-hydroxy-7-(4^-chlorophenyl)-3,8,8,8-tetrachloroocta-...	1.00	1.00	142591.10
7,12-Dimethylbenz[a]anthracene 5,6-oxide	30213.69	1.00	43607.40
7,8,7^,8^-Tetradehydroastaxanthin	192409.56	662930.80	103153.40
7,8,7^,8^-Tetradehydroastaxanthin Esi-17.003	548672.81	1.00	1.00
7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C	1.00	186886.70	1.00
7-bromo-5-heptynoic acid	65529.75	1.00	1.00
7-Epiloganin tetraacetate	167209.31	175149.70	1.00
7-Hydroxybenzo[a]pyrene	97294.25	98714.30	127232.50
7-Hydroxylevomepromazine	1.00	94117.40	1.00
7-Hydroxylevomepromazine Esi-18.838	42099.31	1.00	1.00
7-Hydroxyriluzole	112034.44	1.00	9293.20
7-Hydroxyriluzole Esi-0.95457155	115838.81	1.00	1.00
7-Oxociguatoxin	1.00	99692.30	1.00
(7^R,8^R)-4,7^-Epoxy-3^-methoxy-4^,5,9,9^-lignanetetrol 9^-g...	38947.56	1.00	16682.20
7R-hydroxy-hexadecanoic acid	262178.94	1.00	1.00
7?-(Thiomethyl)spironolactone	97093.56	151014.30	121628.20
7?-(Thiomethyl)spironolactone Esi-19.928175	1.00	72408.90	76503.00
7?-(Thiomethyl)spironolactone sulfone	1.00	1.00	109821.80
8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene	55325.19	49315.80	55063.10
8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene Esi-11...	3230.25	1.00	6064.20
8-Chloro-2,7-dibenzofurandiol	211876.56	153305.80	1.00
8-HETE	9271805.62	89071.40	1.00
8-HpODE	270531.12	371931.80	333874.90
8?-Hydroxycarapin, 3,8-Hemiacetal	110379.19	1.00	1.00
8-Hydroxyluteolin 7-[6^^^-acethylallosyl-(1-2)-3^^-acetylglu...	29396.00	1.00	1.00
8-Hydroxypurine	1.00	1.00	24891.00
8-oxo-dGDP	17408.31	1.00	1.00
8-Prenylafzelechin 5-methyl ether	1763933.31	1856545.50	1771007.10
8-Prenylafzelechin 5-methyl ether Esi-19.126862	17868750.19	16430000.20	13647622.30
8-Prenylafzelechin 5-methyl ether Esi-23.754	1.00	1.00	1763209.20
8-Prenylkaempferol 3-rhamnosyl-(1-3)-[apiosyl-(1-6)-glucosid...	96740.00	1.00	1.00
8-Prenylkaempferol 3-rhamnosyl-(1-3)-[apiosyl-(1-6)-glucosid...	92184.25	165359.70	109226.50
8-Prenylkaempferol 4^-methyl ether 3-[4^^^-,6^^^-diacetylglu...	6857.75	1.00	1.00
8-Prenylquercetin 7,4^-dimethyl ether 3-rhamnosyl-(1-4)-rham...	99173.31	1.00	1.00
8-Propyloxycaffeine	24377.62	79816.60	40649.10
8R,9S-cis-epoxy-10S-hydroxy-eicosa-11Z,14Z-dienoic acid.	34303.44	48999.30	1.00
9,10-dibromo-stearic acid	27862.69	1.00	1.00
9,11-methane-epoxy PGF1?	33430.12	99973.30	1.00
9,12-dimethoxy-13-hydroxy-10-octadecenoic acid	1.00	1.00	57895.70
9-Aminocamptothecin	1.00	1.00	5254.20
9-Anthroic acid	5142712.81	1.00	1.00
(?9-HpODE	1.00	1.00	336165.60
9-Hydroxy-2,6-dichlorodibenzofuran	170730.06	194731.80	171392.90
9-Methoxy-alpha-lapachone	1.00	1.00	31178.60
9-Methyl-7-bromoeudistomin D	25814.06	1.00	1.00
9-Methylxanthine	1.00	1.00	35390.30
9-Nitroanthracene	176722.44	155074.70	206272.50
9-O-Demethyl-2alpha-hydroxyhomolycorine	1.00	1.00	282264.90
9-O-Demethyl-2alpha-hydroxyhomolycorine Esi-14.196001	1.00	51986.60	1.00
9R-hydroxy-12E-octadecenoic acid	561347.12	1002587.40	1037802.90
9R-hydroxy-12E-octadecenoic acid Esi-15.234078	138734.69	286842.10	340446.20
9Z,11Z-Tetradecadienyl acetate	1.00	1.00	9993.50
A 922500	13903395.88	8828862.40	8339249.10
AB005	72423.38	1.00	1.00
AB005 Esi-18.463	15542.19	1.00	1.00
Abu-His-OH	37155.69	1.00	34981.80
(Ac)2-L-Lys-D-Ala-D-Ala	1.00	1.00	31548.40
(Ac)2-L-Lys-D-Ala-D-Ala Esi-14.157999	1.00	1.00	20960.90
Acarbose (component 2)	1.00	1.00	124965.50
Acetic anhydride	689884.19	783009.50	878133.90
Acetic anhydride Esi-0.8806667	1.00	118317.00	120637.00
Acetylsoyasaponin A3	172504.19	260341.50	1.00
Acetylsoyasaponin A3 Esi-15.020002	110985.62	1.00	1.00
Acidissiminol	72066.69	1.00	1.00
Acifluorfen	22065.25	1.00	66586.30
Aconine	645155.38	573468.10	565702.90
Acotiamide	223501.44	157943.70	157410.00
ACS 67	42570.56	1.00	1.00
Aculeacin A	175304.94	1.00	155977.60
Aculeacin A Esi-14.0290365	84454.62	169983.30	118778.90
Acutoside B	327358.88	1.00	1.00
Acutoside C	1.00	1.00	435502.30
Acyclovir (8-hydroxy-9-(2-hydroxythoxymethyl)guanine	29898.38	1.00	1.00
Adenosine 2^,5^-bisphosphate	1.00	67761.70	29615.70
Adiantifoline	28438.62	1.00	1.00
AG-183	70061.88	59294.70	76426.60
AG-99	292364.12	398545.00	438387.40
AL 6598	23899.06	1.00	1.00
Ala Ala Asp	52892.75	103615.20	61357.30
Ala Glu Trp	4215219.44	1.00	1.00
Ala Glu Trp Esi-18.232277	1838557.56	3004703.80	10362764.60
Ala His Lys	225088.56	304749.90	1.00
Ala Lys His	1.00	1.00	347823.30
Ala Lys Ser	1.00	1.00	9440.20
Alamarine	74588.00	20799.30	1.00
Alanyl-Glycine	1277864.62	2270508.10	682025.30
a-L-Arabinofuranosyl-(1-3)-[a-L-arabinofuranosyl-(1r5)]-L-ar...	97504.31	1.00	1.00
Albafuran B	715552.00	1030823.20	1.00
Aldoifosfamide	194655.81	308450.00	1.00
Alhagidin	86292.38	1.00	1.00
Aliskiren	121403.62	1.00	1.00
all-trans-Carophyll yellow	40375.56	1.00	1.00
all-trans-heptaprenyl diphosphate	1.00	1.00	64347.30
all-trans-hexaprenyl diphosphate	1.00	1.00	31597.60
alNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:0)	230400.69	192581.00	159249.80
(+/-)-alpha-Hydroxyisovaleric acid	281805.19	256665.10	341285.30
(+/-)-alpha-Hydroxyisovaleric acid Esi-1.936	120258.31	1.00	1.00
alpha-kamlolenic acid	1.00	1.00	15802.40
alpha-kamlolenic acid Esi-15.540627	170978.31	405087.20	1.00
Alteichin	181048.62	223526.20	224536.50
Aluminum acetate	112285.31	1.00	1.00
Aluminum acetate Esi-5.152	1.00	208974.00	1.00
AM2232	16165.19	12648.90	1.00
AM251	10938.81	1.00	1.00
Amarogentin	1.00	1.00	16257.60
Amastatin	24434.06	43657.70	1.00
Amataine	43391.38	1.00	159375.00
Ambrettolic acid	6676.31	1.00	1.00
Amidosulfuron	75501.38	161239.70	116060.30
amifloxacin	80843.19	48101.50	67145.70
Aminocaproic acid	74171.69	1.00	76961.00
Aminofurantoin	3883.31	12042.60	1.00
Amlodipine	138625.44	126952.90	97153.40
Ammodendrine	1.00	17687.50	1.00
Amorphigenol O-vicianoside	96703.75	203183.90	211204.90
Amphibine A	45604.44	1.00	1.00
Amphibine H	176177.62	376216.70	243659.60
Amphibine H Esi-15.1	26475.06	1.00	1.00
Androsterone glucuronide	1.00	33847.90	1.00
Androsterone glucuronide Esi-10.629364	24481.69	1.00	31914.00
Androsterone sulfate	625348.38	622462.60	597860.80
Angustibalin	1.00	1.00	5802.20
Angustine	34239.50	24227.50	43230.50
Anhwiedelphinine	1.00	23141.20	73458.90
Anhydroicaritin 3-(6^^^-acetylgalactosyl)(1-3)-rhamnoside-7-...	52693.50	1.00	1.00
Anigorootin	50039.38	1.00	1.00
Antillatoxin B (red color)	5039917.94	1.00	1.00
Antillatoxin B (red color) Esi-14.678	224809.88	1.00	1.00
Antillatoxin B (red color) Esi-15.468799	228182.25	1.00	1.00
Apigenin 7-(6^^-crotonylglucoside)	1.00	1.00	7057.90
Apovincamine	7508.75	1.00	1.00
Aprobarbital	317249.94	1.00	1.00
Arachidic acid(d3)	6906.31	1.00	9041.40
Arachidonoyl Glycine-d8	79581.94	60040.10	68565.10
Arachidonoyl Glycine-d8 Esi-19.228	17514.12	1.00	1.00
Arachidonoyl Glycine-d8 Esi-19.229002	44674.38	1.00	1.00
Arachidonoyl Glycine-d8 Esi-19.351	47212.88	1.00	1.00
Aragusteroketal	1.00	74009.70	35169.40
Araloside S1	903318.50	1.00	1353625.70
Araloside S1 Esi-15.079001	1.00	182167.10	1.00
Argenteane	85004.38	99000.90	36416.70
Argentine	17670.69	59371.20	62535.40
Arg Gln Pro	106907.00	215778.80	448776.80
Arg Glu Pro	157463.19	194534.40	197647.60
Arg Gly Cys	169533.38	208367.60	193997.00
Arg His Val	1.00	1.00	6141.10
Argininic acid	1.00	273329.50	1.00
Argiopinin III	53169.75	1.00	1.00
Arg Met Glu	67134.19	183704.90	175522.30
Arg Met Pro	173650.38	59730.50	52113.90
Arg Phe Phe	35471.25	1.00	1.00
Arg Phe Pro	66070.19	59792.10	70759.70
Arg Pro Phe	94902.19	227286.90	246471.80
Arg Trp Phe	34518.81	1.00	51017.60
Arg Trp Phe Esi-13.224999	39499.12	1.00	1.00
Arg Tyr Arg	8606.62	1.00	1.00
Arg Tyr Arg Esi-11.43104	41788.31	57641.30	60962.50
Arg Tyr Arg Esi-15.564	1.00	1.00	24996.00
Arg Tyr Phe	1.00	1.00	58460.20
Armillarivin	10348271.06	2452158.30	2015790.50
Armillatin	1.00	59519.60	1.00
Arnamiol	1.00	1.00	4404.80
Aromatized deshydroxy-C-1027 chromophore	46293.50	1.00	1.00
Artocommunol CA	15169.12	1.00	1.00
Artonin B	1.00	1.00	38211.80
Artonin B Esi-15.222	1.00	1.00	48798.70
Artonin C	1.00	1.00	154086.60
AS-1269574	60680.19	1.00	1.00
(-)-Asbestinine 2	44471.94	139845.40	91537.00
Ascorbate 2-sulfate	45250.94	60377.70	1.00
Ascorbyl stearate	65456.62	1.00	152536.40
Asn Asn His	83016.31	362649.50	389787.20
Asn Asp Cys	33838.06	1.00	1.00
Asn Asp Cys Esi-1.274	1.00	1.00	12981.40
Asn Leu Tyr	1.00	1.00	34440.40
Asn Trp Gln	82338.75	167566.40	126470.90
Asn-Trp-OH	1.00	1.00	160485.10
Asparagoside B	1.00	1.00	863582.00
Asparenomycin A	27394.69	88804.60	89133.40
Asp Asn Asn	170556.31	278526.70	288351.50
Asp Asn Asn Esi-13.780001	1.00	1.00	219123.30
Aspecioside	1418082.19	1588441.60	1121352.70
Aspecioside Esi-24.107	245270.25	1.00	1.00
Asp Glu Ala	1.00	81070.40	1.00
Asp Glu Glu	1.00	1.00	12181.40
Asp-His-OH	351455.44	334507.60	283014.40
Asp-HoPhe-OH	417638.69	391552.20	402404.90
Asp-Met-OH	162566.38	228509.10	197970.00
Asp Phe Trp	4446.56	1.00	1.00
Asp Tyr Cys	48661.69	29114.70	36999.20
Asp Tyr Gln	2106797.94	407547.40	1.00
Asp Tyr Gln Esi-19.117998	1.00	1.00	298658.50
Asp-Tyr-OH	148302.69	1.00	382174.00
Asp Val Lys	154125.94	1.00	1.00
Assamsaponin B	104078.81	248941.10	171008.30
Assamsaponin B Esi-14.01	1.00	1.00	49102.00
Asterlingulatoside D	178764.69	244914.60	108063.40
Asterlingulatoside D Esi-14.568447	308078.12	171207.70	376186.70
Asterlingulatoside D Esi-14.979998	1.00	1.00	168911.10
Asukamycin	1.00	1.00	18849.40
(+)-Atherospermoline	98264.69	82246.20	133218.00
Athidathion	101376.44	150548.50	106700.70
Atorvastatin	12097.94	1.00	16991.90
Atorvastatin Metabolite(meta)	1.00	1.00	54184.90
Austalide I	5237.25	1.00	1.00
Austalide K	882203.44	566603.40	130491.60
Austalide K Esi-15.217778	492101.06	1.00	514767.00
Austalide K Esi-21.41584	71199.50	46673.60	1.00
Austalide K Esi-23.763	1.00	1.00	106768.10
Avadharidine	340837.69	237528.80	1.00
Avadharidine Esi-15.600999	1.00	1.00	74499.30
Avermectin A2a aglycone	1.00	191672.70	1.00
Avocadene acetate	309959.12	496767.80	520304.60
Avocadene acetate Esi-18.514	29515.75	1.00	1.00
Avocadene acetate Esi-19.501625	30596.12	1.00	100885.60
Azaconazole	10166.81	1.00	73443.70
Azafenidin	6782.56	32557.50	21143.80
Azimsulfuron	105191.50	1.00	1.00
Azimsulfuron Esi-20.36	26703.62	1.00	1.00
AzIV	36306.56	1.00	1.00
Azoxystrobin	58243.88	1.00	1.00
Aztreonam	1.00	30395.00	1.00
B-(4-Fluorobenzoyl)propionic acid	454719.00	966730.00	556342.50
Bacampicillin	502726.75	96150.70	89494.20
bacteriohopane-32,33,34,35-tetrol	1.00	192719.90	1.00
bacteriohopane-32,33,34,35-tetrol Esi-21.027	1.00	1.00	23712.20
bacteriohopane-32,33-diol-34,35-dicarbamate	262972.00	149337.00	173413.30
Bacteriorubixanthinal	387989.94	1.00	1.00
Balagyptin	233456.12	1.00	1.00
Balagyptin Esi-11.428	22817.38	1.00	1.00
Balanitesin	174612.25	254513.30	235960.00
Baliospermin	234456.81	1.00	1.00
Baptifoline	23250.25	83390.10	54003.10
Barbituric acid, 5-ethyl-5-(2-hydroxyethyl)-	93130.19	65338.20	91718.20
Basellasaponin B	89421.56	1.00	1.00
Batrachotoxin	93792.56	1.00	1.00
bayogenin	30950.50	1.00	1.00
BAY-u3405	1.00	1.00	21027.20
b-D-Glucopyranosiduronic acid, 3-(6-methoxy-2-naphthalenyl)-...	1.00	40917.70	40731.90
Beiwutine	824795.31	651242.80	588354.70
Beiwutine Esi-13.659631	1.00	151907.80	121369.90
Beiwutine Esi-14.034541	491460.75	494960.30	452469.20
Beiwutine Esi-14.055	285229.12	1.00	1.00
Beiwutine Esi-14.235663	328012.69	694187.20	396406.70
Beiwutine Esi-15.477	641066.62	816099.10	746608.10
Belladonnine	162793.44	133524.90	120822.30
Benazeprilat	109356.38	1.00	70835.10
Benfuresate	1.00	1.00	16282.10
Benoxinate	25210.44	1.00	58352.60
Benperidol	336220.88	1.00	1.00
Bensultap	206296.88	1.00	1.00
Benzanthrone	4559459.31	1473396.50	1572643.60
Benzanthrone Esi-1.2634615	3119004.06	578023.00	1.00
Benzanthrone Esi-3.2669997	98203.12	57886.20	1.00
Benzenepropanenitrile	1.00	1.00	13010.60
Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl ...	6808.38	1.00	1.00
Benzotrichloride	180346.94	1.00	1.00
Benzotrichloride Esi-1.2819998	1.00	1.00	150894.20
Benzotrichloride Esi-1.3895001	157233.38	180583.10	1.00
Benzyl beta-primeveroside	104625.81	1.00	1.00
Benzyl sulfate	4432284.69	4451652.50	4496088.40
Bestatin	574706.31	1.00	1.00
beta-Zearalanol	15564.06	1.00	24663.50
BIBB 515	172571.00	1.00	1.00
BIBF 1120	53336.00	1.00	1.00
BIBF 1120 Esi-13.157214	15816.69	81195.90	62322.10
Bicuculline (+)	58533.00	78511.40	67821.10
Bifemelane (M5)	48395.81	1.00	35836.80
Bifemelane (M5) Esi-8.831946	19944.00	1.00	42220.70
Bifemelane (M5) Esi-8.8342	19727.38	36180.60	1.00
Bilirubin-glucuronoside	30460.19	1.00	1.00
Biocytin	641747.88	1.00	1.00
Biotin-X-NHS	1.00	1.00	309064.60
Bisacodyl diphenol glucuronide	1.00	1.00	18183.80
Bis-gamma-glutamylcysteinylbis-beta-alanine	1.00	94851.20	1.00
Bisindolylmaleimide I	1.00	87094.40	1.00
Bisindolylmaleimide IV	1.00	37636.70	1.00
Bisindolylmaleimide IV Esi-9.834455	1.00	32170.00	18196.10
Bismurrayafoline E	246736.06	1.00	1.00
Bismurrayafoline E Esi-15.327252	148382.94	1.00	1.00
Bispyribac	11502.12	75337.20	1.00
Bispyribac Esi-1.513	16374.62	1.00	1.00
BIX01294	30355.69	73321.60	88574.10
Bluensidine	1.00	44944.60	37380.20
Bluensidine 6-phosphate	185526.50	37949.50	1.00
Bluensomycin	30045.88	118326.60	1.00
Blumenol C O-[rhamnosyl-(1-6)-glucoside]	31399.88	1.00	1.00
BM 567	1.00	249030.60	267210.60
Boc-Phe(NMe)-Gly-OMe	5132.00	1.00	1.00
Bopindolol	112765.88	113268.00	122650.70
Borrelidin	1.00	156742.90	1.00
Botrydial	586476.38	669036.40	707332.60
Botrydial Esi-14.114	304626.12	1.00	1.00
Brianthein X	36495.38	1.00	1.00
BRL 32872	811684.69	1031597.80	942125.40
BRL 32872 Esi-13.780859	1.00	448389.70	224046.50
Bromhexine	65767.81	1.00	116071.80
Bromocriptine	85323.44	1.00	1.00
Bromoenol lactone	43944.44	1.00	81582.30
Brompheniramine (monodemethylated)	50508.81	1.00	1.00
Brompheniramine (monodemethylated) Esi-0.844	1.00	1.00	28538.20
Bucladesine	102689.81	15330.50	1.00
Budesonide	1.00	63897.70	1.00
Bufotalin	10847.00	1.00	1.00
Buserelin	32236.06	1.00	62090.00
Butanoic acid, 3-bromo-, (S)-; (S)-(+)-3-Bromobutanoic acid;...	1.00	1.00	60903.50
butoxyacetic acid	113836.69	97611.50	109919.00
Butyl 3-O-beta-D-glucopyranosyl-butanoate	48093.19	1.00	131433.70
Butyl 3-O-caffeoylquinate	1.00	725865.10	1.00
Butyl ethyl malonate	149948.69	1.00	258019.50
Butyl oleate sulfate	63417.38	51336.40	1.00
BW 723C86	14206.81	1.00	1.00
BW 723C86 Esi-5.992	1.00	1.00	13206.90
C14:1n-9	1.00	21242.30	1.00
C20:4n-2,6,9,12	1.00	1.00	55949.20
C22-OH Sulfatide	1.00	534299.80	1.00
C22 Sulfatide	21242.38	1.00	1.00
C-6 Ceramide	11022.25	1.00	13015.20
C-6 NBD Ceramide	1317378.31	1157164.80	940911.40
C-6 NBD Ceramide Esi-16.093637	949276.12	1.00	1.00
Cafenstrole	55048.75	60776.50	51950.70
Caffeoyl aspartic acid	43597.75	1.00	1.00
Caffeoyl aspartic acid Esi-7.343	1.00	1.00	18623.00
Calcimycin	3489863.75	3788003.40	3383826.00
Calcimycin Esi-14.084	1.00	913053.90	1.00
Calpeptin	84073.38	88374.20	91445.60
Calpeptin Esi-11.030671	67397.50	68571.50	59435.20
Calpeptin Esi-13.490726	163983.94	172526.70	170586.10
Camelliasaponin C1	61713.06	151389.30	1.00
Campesteryl ferulate	19033.44	1.00	1.00
Candesartan Cilextil	1.00	1.00	13962.60
Cannabipiperidiethanone	104043.12	254325.10	1.00
Cappariloside B	311130.00	84650.40	86357.60
Cappariloside B Esi-18.390999	255681.12	146640.60	192193.30
Capsianoside II	118053.69	265044.30	1.00
Capsicosin	50621.75	1.00	311623.40
Carapanaubine	6329.69	1.00	1.00
Carbaprostacyclin-biotin	182404.81	283511.80	1.00
Caribbean ciguatoxin 1	65269.81	1.00	38718.20
Carindacillin	60367.06	1.00	1.00
Carmamycin A	481365.88	686330.90	561866.80
Carmamycin A Esi-11.415	1.00	117092.90	1.00
Carmamycin A Esi-9.157391	110438.88	132191.30	99122.50
Carmamycin A Esi-9.452	1.00	406105.30	1.00
Carmamycin B	94887.25	98600.80	110693.70
Carphenazine	13410.19	31082.20	1.00
Cartilagineal	522638.25	488927.00	505264.10
Cartormin	140544.25	1.00	1.00
Carvedilol	817817.19	1.00	1.00
Cascarillin	17968.50	1.00	1.00
Casimiroin	897799.25	832150.70	715917.20
Caspofungin	3915536.00	3396381.60	3310102.40
Cassiaside B2	1.00	18399.70	1.00
CAY10404	25523.88	1.00	34199.00
CAY10441	75753.75	1.00	1.00
CAY10448	3556.25	1.00	1.00
CAY10470	1.00	534926.30	1.00
CAY10470 Esi-18.841997	27173.62	1.00	1.00
CAY10500	1.00	13622.70	1.00
CAY10575	140493.38	1.00	152392.50
CAY10598	38009.62	1.00	184361.70
CAY10598 Esi-17.291996	70810.88	167213.30	1.00
CAY10598 Esi-17.807	1.00	111566.00	1.00
CAY10608	1.00	1.00	28792.60
CAY10608 Esi-1.5159999	1.00	14290.60	1.00
CAY10633	83874.88	143919.80	1.00
CB3717	22231.69	1.00	1.00
CDP-DG(18:0/22:3(10Z,13Z,16Z))	114021.75	1.00	1.00
Ceanothine E	134566.62	431033.20	1.00
Cedrol	1.00	1.00	1719.10
Ceftriaxone	66115.62	1.00	1.00
Cephalexin	60227.56	46518.20	1.00
Cephalexin Esi-6.09	1.00	1.00	42343.00
Ceranib-2	751550.19	1.00	1.00
Ceranib-2 Esi-16.965996	136801.62	97079.10	116335.90
Cerberin	682064.25	811750.60	1.00
Cerberin Esi-11.905999	72242.69	1.00	81957.30
Cer(d15:1/24:0)	35807.69	95508.80	88792.90
Cer(d15:1/24:0) Esi-23.756	8042.81	1.00	1.00
Cer(d16:2(4E,6E)/18:0)	25134.75	32683.70	1.00
Cer(d16:2(4E,6E)/20:0)	15934.69	31074.20	1.00
Cer(d16:2(4E,6E)/20:1(11Z))	21535.31	1.00	1.00
Cer(d18:0/16:0)	34092.12	76190.60	82881.40
Cer(d18:0/16:0(2OH))	99442.69	98122.40	1.00
Cer(d18:1/24:1(15Z)) Esi-23.768	44661.69	1.00	1.00
Cer(t20:0/20:0)	236719.88	322968.60	404743.60
CGP72383	286904.94	238016.20	248297.30
Chalcomycin	1.00	1.00	34027.40
Chatenaytrienin 2	129111.25	255280.50	1.00
Chatenaytrienin 2 Esi-23.705	1.00	226572.90	1.00
Chivosazole D	38523.94	34742.00	36247.30
Chivosazole F	1.00	1.00	789550.70
Chloraniformethan	1.00	46006.70	1.00
Chlorhexidine	1.00	41598.60	1.00
Chloromarmin	14290.94	34094.80	42348.40
Chloroneb	1.00	75019.20	1.00
Chlorophacinone	177684.62	177262.00	148202.90
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside	243681.94	1.00	182705.10
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside Esi-20...	142705.44	243632.90	185168.90
Cholestane-3,7,12,25-tetrol-3-glucuronide	471418.62	279303.40	251953.10
cholesterol sulfate	535545.50	1002550.10	769176.80
cholesterol sulfate Esi-23.72	1.00	1.00	823609.50
Cholic acid glucuronide	1597346.38	1.00	1.00
Cholic acid glucuronide Esi-13.988553	571992.06	667664.20	612352.40
Cholic acid glucuronide Esi-14.196339	2899956.44	2842060.50	2618285.00
Cholic acid glucuronide Esi-14.197	289694.94	1.00	1.00
Chrysosplenol F	5090.06	1.00	1.00
Ciglitazone	85733.69	94696.70	81440.50
Cimetidine	18999.31	1.00	1.00
Cinegalline	11318.12	25240.80	21998.70
Cinnamic acid	1.00	1.00	107599.40
Cinnavalininate	1.00	25645.40	1.00
Cinnzeylanol	1.00	1.00	31958.90
Ciprofibrate	56699.81	1.00	163730.60
cis-2,3-Dihydro-2,3-dihydroxy-4^-chlorobiphenyl	1.00	13152.10	1.00
cis-4-Hydroxyequol	432680.19	368215.00	404511.00
cis-4-Hydroxyequol Esi-5.9713416	199517.00	122906.10	172824.60
Citalopram aldehyde	12712.88	1.00	26847.70
Citalopram-N-Oxide	31841.25	1.00	1.00
Citbismine D	70469.81	1.00	1.00
Citiolone	1.00	1.00	26256.00
Citreovirenone	21943.88	36011.10	1.00
CL(1^-[15:0/15:0],3^-[15:0/16:1(9Z)])[rac]	34811.81	1.00	1.00
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:...	1.00	56055.90	1.00
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)...	33127.06	1.00	1.00
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)...	1.00	48423.70	1.00
Clofarabine	1.00	54529.40	1.00
Clomipramine	108875.75	1.00	1.00
Clo?sone butyrate	45291.88	31072.20	79851.50
Clovamide	62067.25	1.00	91928.40
Coelichelin	1.00	1.00	119539.50
Coelichelin Esi-13.951	1.00	60027.60	1.00
Coenzyme F430	89859.94	54738.70	1.00
Cohibin B	233582.62	1.00	1.00
Cohibin B Esi-20.1962	37107.88	251152.90	247451.40
Cohibin B Esi-20.35612	393039.56	487655.20	284310.80
Congmunoside X	116598.25	1.00	1.00
Congmunoside X Esi-14.336399	77052.69	170891.00	174286.90
Convicine	178921.94	192984.60	161247.60
Coproporphyrinogen I	79682.44	1.00	1.00
Corchoionoside B	188250.31	172751.40	163420.60
Corchorosol A	90075.19	104878.80	90737.10
Cortisol	49826.81	1.00	1.00
cortisol 21-sulfate	1.00	1.00	2901.60
Cortisone	826608.19	1.00	1.00
Corynoline	54638.38	37800.40	1.00
CP 80633	13395.81	1.00	1.00
CPA(18:0)	39687.44	121012.20	126060.50
Crimidine	542354.38	417542.30	418223.20
Crimidine Esi-5.6406093	371495.38	286439.70	342611.20
CUDA	28585.12	1.00	1.00
Cuneatin Methyl Ether	89020.88	70607.80	80893.00
Curcumin diglucoside	276730.94	116735.30	322166.20
Curcumin diglucoside Esi-15.101372	47914.12	120264.50	130563.70
Cyanophos	1.00	9868.10	1.00
Cybutryne	59155.25	79670.50	86702.70
Cybutryne Esi-11.947	1.00	1.00	80292.70
Cybutryne Esi-9.505	22454.25	1.00	19174.20
Cyclo-Ala-Pro diketopiperazine	539593.00	441949.20	516420.90
Cyclobuxine D	1.00	40075.70	56856.50
Cyclobuxine D Esi-19.101	63790.12	1.00	1.00
Cyclocalopin D	78722.69	1.00	1.00
Cyclocalopin D Esi-9.411	8772.50	1.00	1.00
Cycloheximide	189477.94	482736.90	1.00
Cycloheximide Esi-14.100669	303197.31	481313.90	508023.20
Cyclopassifloside II	557945.31	250588.80	242437.50
Cyclosporin A	73472.50	1.00	1.00
Cyclothiazide	17134.88	1.00	1.00
Cyenopyrafen	1.00	1.00	76562.50
Cyflufenamid	102314.69	93218.50	66639.30
Cyflufenamid Esi-3.2620006	49086.00	1.00	1.00
Cyflumetofen	46704.62	1.00	1.00
Cynarasaponin F	46140.00	1.00	1.00
Cynarasaponin F Esi-9.563	14487.19	1.00	1.00
Cynometrine	29230.38	1.00	1.00
Cys Arg Phe	26823.12	1.00	1.00
Cys Asn Thr	74427.12	92608.10	56357.40
Cys Asn Thr Esi-0.79099995	1.00	90148.30	1.00
Cys Cys Thr	22406.00	1.00	27467.20
Cys Lys Glu	1015256.69	886894.20	1.00
Cys Lys Glu Esi-17.469164	735649.88	444270.50	630292.00
Cysteine-S-sulfate	265753.19	243096.80	308120.50
Cys Tyr Phe	39951.81	1.00	1.00
Cytochalasin Npho	372375.06	339301.60	442913.70
Cytochalasin Npho Esi-13.2610855	103128.38	161694.30	106070.30
Cytochalasin Npho Esi-13.328263	100007.06	1.00	100318.30
Cytochalasin Npho Esi-13.509003	225065.06	328102.00	1.00
Cytochalasin Npho Esi-13.511332	423246.44	391317.30	438532.40
Cytochalasin Npho Esi-16.313536	242895.50	175753.80	1.00
Cytochalasin Npho Esi-16.317	68827.19	1.00	1.00
Cytosine	336836.31	394501.60	471357.90
Cytosine Esi-21.03491	19230.06	1.00	17247.70
D-2-Aminobutyric acid	1.00	1.00	562608.90
Dabigatran etexilate	1.00	106139.80	1.00
Dacthal	33464.38	92978.40	50249.00
Dalfopristin	84479.12	1.00	1.00
DAT(19:0/23:0(2Me[S],3OH[S],4Me[S],6Me[S]))	623682.62	1.00	1.00
Daucic acid	272751.88	1.00	227286.20
Daucic acid Esi-0.783	44623.31	1.00	22678.70
Daucic acid Esi-0.78700006	47190.19	1.00	1.00
D-Camphorsulfonate	15619.25	1.00	1.00
D-Camphorsulfonate Esi-8.185	1.00	25776.70	1.00
D-Camphorsulfonate Esi-8.187	1.00	1.00	40546.00
DCI	1.00	1.00	12714.80
Deacetylcephalosporin C	8557.62	1.00	1.00
Deacetylcephalosporin C Esi-0.827	1.00	2956.30	1.00
Deacetyldiltiazem	98852.25	72841.20	1.00
Deacetyldiltiazem Esi-6.6946545	38354.75	41784.90	21246.20
Debromohymenialdisine	45419.12	1.00	1.00
Debromohymenialdisine Esi-8.199001	25790.06	61786.10	62848.90
Decoside	1.00	1.00	308228.40
Delphinine	137825.69	1.00	1.00
delta-Carotene-1,2-epoxide	1.00	1.00	278632.00
Demethyl-desacetyl-rifamycin S	505754.12	475530.10	428473.40
Demethyl-desacetyl-rifamycin S Esi-13.157564	112657.25	120919.80	122107.90
Demethyl-desacetyl-rifamycin S Esi-13.981002	47836.00	178577.70	1.00
Demethylisoalangiside	71892.94	1.00	1.00
Demeton-S-methylsulphon	1.00	1.00	207124.10
Deoxyadenosine monophosphate	23206.44	15063.10	18081.20
Deoxyadenosine monophosphate Esi-0.845	5366.56	1.00	1.00
Deoxycholic acid disulfate	72612.75	1.00	25155.00
Deoxynojirimycin Tetrabenzyl Ether	55557.12	165636.70	127092.00
Deoxynojirimycin Tetrabenzyl Ether Esi-9.348715	1.00	24199.00	19593.90
Deoxyuridine monophosphate (dUMP)	19967.12	54233.80	1.00
Dermorphin	7763.81	1.00	1.00
Desacetylsufentanil	36678.50	16226.70	1.00
Desacetylsufentanil Esi-7.7625303	54974.00	44972.30	34701.50
Descladinosyl-6-O-methylerythromycin	33040.38	186413.10	76146.00
Deserpidine	11213.56	64489.70	66020.80
(?-Desethylhydroxychloroquine	1.00	1.00	10440.70
Desmethyldescarbamoylnovobiocin	673165.62	656510.80	471488.90
Desmethyldescarbamoylnovobiocin Esi-13.859	162662.25	1.00	1.00
Desmethylnimodipine	43913.50	1.00	1.00
Desmethylpantoprazole sulfate	1.00	1.00	72791.20
Desmethyl rosuvastatin	151598.25	29435.70	1.00
DETA NONOate	10902.31	43751.30	1.00
Dexamethasone phosphate	452711.75	1.00	1.00
Dexamethasone phosphate Esi-18.227526	323401.06	1.00	49111.60
D-Fructosazine	1.00	1.00	41590.00
DG(13:0/16:1(9Z)/0:0)[iso2]	1.00	1.00	5110.20
DG(14:0/17:0/0:0)[iso2]	34135.88	63662.00	54956.90
DG(14:0/17:0/0:0)[iso2] Esi-21.095	25909.19	1.00	1.00
DG(15:1(9Z)/16:0/0:0)[iso2]	7606.12	1.00	12353.60
DG(15:1(9Z)/16:1(9Z)/0:0)[iso2]	34828.81	1.00	45606.90
DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi-21.037998	1.00	41469.80	1.00
DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi-21.205997	30745.44	1.00	39711.50
DG(15:1(9Z)/18:0/0:0)[iso2]	1.00	1.00	31098.80
DG(15:1(9Z)/18:1(9Z)/0:0)[iso2]	188963.81	1.00	344615.20
DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]	1.00	1.00	269012.20
DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi-12.076	1.00	1.00	65865.70
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]	20229.81	1.00	1.00
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-20.384	29204.38	1.00	1.00
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-20.66	1.00	1.00	25836.90
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-21.1286	7974.62	1.00	10158.40
DG(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]	300198.19	268099.20	202693.10
DG(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] Esi-17.803	6404.56	1.00	1.00
DG(17:2(9Z,12Z)/20:2(11Z,14Z)/0:0)[iso2]	1.00	161634.50	193381.10
DG(19:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]	86634.56	80353.20	119827.40
DG(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	341656.88	1.00	1.00
DG(24:1(15Z)/20:3(8Z,11Z,14Z)/0:0)	126011.69	379785.80	393750.70
?-D-Glucose	1.00	1.00	3320515.60
D-Glucosyldihydrosphingosine Esi-16.525	159994.75	1.00	1.00
D-Glucosyldihydrosphingosine Esi-16.563997	327998.50	1.00	1.00
D(-)-?-hydroxy butyric acid	17435.06	1.00	1.00
Diacetylfusarochromanone	1.00	1.00	35135.80
Diamidafos	460820.75	351554.30	365986.90
Diamidafos Esi-5.6443315	359945.69	282917.60	330244.20
Diazoxide	98713.12	253679.40	1.00
Dibenz[c,h]acridine	143203.75	270939.50	218928.60
Dibenz[c,h]acridine Esi-14.184999	33323.44	1.00	1.00
Dibenzothiophene	40677.50	1.00	60452.10
Dibenzothiophene Esi-2.2409997	1.00	1.00	640511.30
Dicamba	257322.56	381158.20	359622.50
Dichlozoline	170915.38	420526.10	650643.40
Dichotosinin	114563.69	283006.90	238943.60
Diclobutrazol	1.00	5619.80	25029.30
Dictyoquinazol B	1287692.12	1.00	1.00
Dictyoquinazol C	234841.81	273827.20	284852.40
Didanosine	382313.12	1.00	327345.30
Dideoxymycobactin	247243.75	1.00	148121.30
Didodecyl thiobispropanoate	127817.75	1.00	1.00
Didodecyl thiobispropanoate Esi-19.048002	1.00	365424.10	457279.60
dIDP	14624.75	1.00	1.00
DIDS	125814.88	1.00	1.00
DIDS Esi-19.112	33742.56	1.00	1.00
Diethyl L-malate	707827.19	395619.30	353090.00
Diethylphosphate	160978.81	1.00	456092.60
Diethyl succinate	5163.38	1.00	1.00
Difenacoum	211533.62	1.00	1.00
Diflunisal phenolic glucuronide	227642.25	105165.40	1.00
Diflunisal phenolic glucuronide Esi-12.493718	337535.06	306652.90	326010.60
Diflunisal phenolic glucuronide Esi-18.394306	147318.88	82935.20	1.00
Dihomomethionine	1.00	1.00	59678.60
Dihydro-2(3H)-thiophenone	5075.94	1.00	1.00
Dihydrocaffeic acid 3-O-glucuronide	4781.62	1.00	1.00
Dihydrocaffeic acid 3-sulfate	1.00	1.00	40118.20
Dihydrocodeine-6-glucuronide	36782.00	110522.60	1.00
Dihydrocodeine-6-glucuronide Esi-12.849	42088.44	1.00	1.00
Dihydrodeoxystreptomycin	1.00	1.00	2294.80
Dihydroergocristine	1805557.69	1937537.60	1746102.60
Dihydrojasmonic Acid, Methyl Ester	28488.94	1.00	1.00
Dihydrojasmonic Acid, Methyl Ester Esi-10.78	20572.25	1.00	1.00
Dihydrolevobunolol glucuronide	167544.75	1.00	284497.70
Dihydrorhodamine 123	1.00	1.00	13176.10
Dihydroxyaltramine	265285.06	203169.30	202167.90
Diisopentyl thiomalate	49896.06	60658.60	73616.40
Diisopropyl sulfate	583013.44	346282.00	433367.70
Dikegulac	38262.44	34349.80	1.00
Dimefuron	1.00	1.00	852108.00
Dimethipin	210880.00	195016.70	255470.00
Dimethylenetriurea	26387.88	61399.10	61949.40
Dinitrosopentamethylenetetramine	343194.00	340836.00	371085.70
Dinoflagellate luciferin	167265.31	166567.70	187507.70
Dinor Iloprost	1.00	55660.40	1.00
Dinoseb acetate	186801.94	154301.10	186866.90
Diosbulbinoside F	35933.56	1.00	1.00
Dioscoreside C	515223.44	462127.20	450621.50
Dioscoreside C Esi-13.767999	52939.56	1.00	1.00
Diphenoxylate	1.00	1.00	14210.10
Diphenylphosphine isopropyl ester	12116338.19	1.00	1.00
Dipiperamide D	1.00	117135.90	1.00
Dipyridamole	67654.31	1.00	1.00
Dipyridamole Esi-13.513	714974.44	1.00	1.00
Distearyl phosphatidyl ethanolamine	28781.88	1.00	358243.10
Distemonanthin	35145.62	1.00	1.00
Disulfiram	207446.50	205836.20	172344.90
Ditalimfos	78428.69	1.00	1.00
Dithianon	2881653.75	6556977.00	5949802.60
Dithianon Esi-0.836	1.00	1.00	35677.50
Divinylprotochlorophyllide	1.00	1.00	23609.30
Djenkolic Acid	256800.69	227921.60	256409.60
DL-?-Lipoic Acid	1.00	151217.80	1.00
DL-PPMP	176881.06	1.00	1.00
DL-threo-PDMP	1.00	1.00	54711.60
DL-threo-PDMP Esi-12.943765	20043.38	50303.10	55020.40
DL-threo-PDMP Esi-13.547	1.00	1.00	14242.60
DL-threo-PDMP Esi-13.577822	14329.19	44865.00	34914.50
DMABA-d4 NHS ester	6546.06	1.00	1.00
D-Mannitol 1-phosphate	374509.25	397097.90	342880.00
Docusate	406962.19	428407.70	382029.70
Docusate Esi-23.757998	1.00	1.00	382840.80
Dodecylguanidine	1.00	17463.20	1.00
Dolastatin 11	5122098.25	1.00	1.00
Donepezil	1.00	149943.60	1.00
DPTA NONOate	111382.12	113638.80	152670.00
DPTA NONOate Esi-10.725725	45012.81	66872.20	83213.40
D-Tartaric acid	38527.69	145880.90	1.00
dTDP-4-oxo-5-C-methyl-L-rhamnose	91442.38	1.00	1.00
DU 122290	54614.12	31918.00	21958.40
Duartin (-)	1.00	1.00	48997.90
Dukunolide E	17044.81	33067.40	1.00
dXTP	1.00	1.00	26109.00
(E)-1,2-bis(6-methoxyquinolin-4-yl)ethene	255759.44	228339.90	221240.70
(E)-1,2-bis(6-methoxyquinolin-4-yl)ethene Esi-5.559	9957.00	1.00	1.00
(E)-2-Methylglutaconic acid	60651.19	1.00	1.00
E-3179	1.00	107182.90	1.00
E-4031	50634.38	111721.00	114967.00
E-64c	7190.75	1.00	1.00
E-64d	18668750.00	17850000.00	16900000.00
E-64d Esi-14.968064	77119.06	61109.40	55231.40
E-64d Esi-8.439941	15919.25	17327.50	33887.00
E-64d Esi-9.478	38585.50	1.00	1.00
ecdysone palmitate	477591.31	643419.70	617137.30
Eicosanedioic acid	1.00	1.00	18096.20
Eicosatrienoic acid	1.00	1.00	100567.80
Eicosatrienoic acid Esi-18.831545	30894.44	65009.80	87379.80
Elaiophylin	21318.50	1.00	1.00
Elaiophylin Esi-8.087501	76648.00	68118.10	68910.20
Endomorphin-2	183331.00	150047.30	195181.10
Enkephaline, (D-Ala)2-Leu	1.00	1.00	1275402.90
ent-8-deoxy-J2-IsoP	6960.75	15421.90	1.00
ent-Epicatechin-(4alpha-8)-ent-epicatechin 3,3^-digallate	1.00	139751.30	1.00
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate	20566.81	1.00	1.00
Epitheaflavic acid 3^-gallate	1.00	53507.80	1.00
Equilin sulfate	15133.38	1.00	1.00
Eremopetasitenin A2	16625.06	45982.90	60584.00
Ergosine	1092659.38	1662072.10	1731493.60
Ergosine Esi-13.778999	1048903.56	1.00	1338682.20
Eruberin C	51431.56	1.00	418701.10
Erythromycin C	34989.62	93546.70	60727.10
Erythrose	531914.50	369572.10	578139.40
Erythrose Esi-0.842	1.00	1.00	69633.30
Esmeraldin B	45255.38	1.00	1.00
(E)-Squamosamide	22172.62	1.00	1.00
Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate	40744.06	1.00	1.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	19605.44	1.00	1.00
Etacelasil	100693.75	96593.10	71571.50
ETF	381491.12	1.00	1.00
ETF Esi-1.02	1.00	1.00	112144.30
Ethchlorvynol	288269.50	223025.40	260581.40
Ethchlorvynol Esi-5.644143	221606.81	173994.60	189406.80
Ethionamide sulfoxide	19976.19	1.00	15418.10
Ethosuximide M3 glucuronide	44324.38	43864.80	53088.20
Ethyl 18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate	1.00	1.00	64750.90
Ethyl 2-Bromo-2-iodoacetate	135046.44	186642.10	1.00
Ethyl 3-O-beta-D-glucopyranosyl-butanoate	187425.62	206985.00	170662.50
Ethyl glucuronide	8109569.00	2942759.70	3859695.40
Ethyl hydrogen sulfate	392983.69	262037.50	1.00
Ethyl vanillin isobutyrate	8830.81	15119.40	25128.00
Ethynylestradiol 3-sulfate	99740.94	124372.00	98712.50
Etidocaine	303361.50	238364.00	1.00
Etidocaine Esi-13.602999	1.00	1.00	191537.10
Etidocaine Esi-13.603334	187333.06	204069.10	189901.20
Etidocaine Esi-19.356	10666.00	1.00	1.00
etizolam	41624.25	82085.00	67073.50
Etofenprox	363626.50	508495.70	383233.10
Etomoxir	1.00	1.00	8698.60
Etrimfos	459029.88	457255.80	382294.60
Etrogol	1.00	1.00	7694.50
Eucatropine	1.00	22538.00	1.00
Euchrenone b5	1.00	655414.00	614693.80
EUK 118	157946.62	1.00	1.00
Evasterioside E	1.00	39699.60	1.00
Ezetimibe	92422.12	1.00	1.00
Ezetimibe Esi-18.233	38798.12	1.00	1.00
Falimint	23825.38	1.00	115034.70
Famotidine sulfoxide	23530.94	1.00	41444.80
Faropenem	22801.38	55587.40	1.00
Fenclorim	1.00	285022.20	1.00
Fenirofibrate	14807.62	40501.80	1.00
Fenirofibrate Esi-0.83699995	57685.12	1.00	1.00
Fenoldopam	73972.62	1.00	1.00
Fenoterol sulfate	5764.69	1.00	15907.80
Fentin acetate	49613.00	60840.90	64009.00
Ferrichrome	146719.62	1.00	1.00
Ferulic acid	8487.81	1.00	1.00
Feruloyl-2-hydroxyputrescine	14103.56	1.00	1.00
Fetidine	1.00	1.00	337018.70
F-Honaucin A	25398.62	1.00	45892.50
Flavanone 7-O-[alpha-L-rhamnosyl-(1-2)-beta-D-glucoside]	38110.56	1.00	1.00
Flindersiachromone	42440.38	1.00	1.00
Flindersiamine	1.00	15161.70	1.00
Flonicamid	186888.19	325587.10	179633.00
Fludioxonil	1.00	1.00	17720.40
Flumiclorac pentyl	37088.06	1.00	1.00
Flunarizine	733893.94	240986.00	268510.30
Flunisolide	12036.56	1.00	1.00
Flunitrazepam	1.00	15586.40	1.00
Fluoroureidopropionic acid	1.00	1.00	26807.00
Fluotrimazole	7032.44	20752.90	22198.20
Fluperlapine	92417.56	1.00	192768.90
Fluphenazine enanthate	81516.50	1.00	111375.80
Fluprostenol isopropyl ester	1.00	14704.30	1.00
Fluprostenol Lactone Diol	1.00	1.00	15480.10
Fluprostenol methyl ester	105104.75	132384.10	118344.40
Fluprostenol methyl ester Esi-17.805	5673.62	1.00	1.00
Fluvastatin	308093.31	1.00	1.00
Fluvastatin Esi-19.509502	1.00	529401.70	600618.90
Fluxofenim	64557.81	15252.80	1.00
FMC-5(d18:1/24:0)	1.00	1.00	33366.00
Foeniculoside I	74988.12	1.00	55301.60
Folic acid	51156.06	1.00	1.00
(-)-Folicanthine	89176.81	1.00	1.00
(-)-Folicanthine Esi-18.905445	51250.56	1.00	64386.50
(-)-Folicanthine Esi-19.1315	46106.31	1.00	124667.80
Folpet	1.00	48068.00	25443.80
Fomesafen	1.00	1.00	27755.40
Fomylciprofloxacin	3686.69	1.00	1.00
Formononetin 7-O-glucuronide	7972.19	1.00	1.00
Formoterol	23643.75	1.00	1.00
Formylpyruvate	280328.06	1.00	315070.80
Formylpyruvate Esi-1.255	1.00	433116.40	1.00
Fortimicin AO	71256.00	77160.00	57799.40
Fortimicin AP	49230.50	87912.10	64777.20
Fortimicin AP Esi-10.715143	1.00	20315.80	21600.80
Fortimicin AP Esi-11.01	1.00	1.00	12074.50
Fosinoprilat	1.00	67447.40	1.00
Fosinoprilat Esi-10.661	1.00	39931.90	1.00
FR122047	16038.94	1.00	30841.20
FTY720 phenoxy-biotin	85490.88	1.00	65747.00
Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)	1.00	1.00	151036.90
Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-...	1.00	211108.00	1.00
Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbe...	1.00	1.00	56064.30
Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbe...	96154.12	1.00	1.00
Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbe...	1.00	563111.30	149174.00
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18...	102311.25	1.00	1.00
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18...	1.00	1.00	94657.50
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18...	1.00	96959.60	1.00
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18...	47174.56	1.00	1.00
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4...	1.00	1.00	53322.00
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4...	101086.38	1.00	1.00
Fucoxanthinol	42997.75	1.00	1.00
Fursultiamine	23994.00	1.00	20183.50
Fusicoccin A	102904.56	1.00	70285.30
(-)-Fusicoplagin A	22066.81	46511.50	48649.80
Fusidic acid	1.00	1.00	25311.40
Futalosine	570.31	1.00	1.00
G?6983	28706.38	1.00	1.00
Gal?1-3GlcNAc?-Sp	59120.81	39432.50	45454.60
Galactaric acid	307908.88	248414.00	306579.60
Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z...	1.00	9692.00	1.00
Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbet...	10049.25	1.00	1.00
Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbet...	1284182.19	1133223.40	1074862.40
Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbet...	814216.94	1.00	1.00
Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1...	1551.75	1.00	1.00
Galalpha1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8N...	1.00	1.00	103003.20
Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)	14460.38	1.00	1.00
Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcN...	1.00	1.00	137999.20
Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(1...	45649.19	1.00	1.00
Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:...	326156.12	246399.20	233784.40
Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(...	222597.06	181111.00	150367.40
Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(...	1.00	1.00	132690.20
Gallamine	15039.88	1.00	43107.80
GalNAc?1-3Gal?1-4Gal?1-4GlcNAc?-Sp	165926.62	251243.30	231843.10
GalNAc?1-3Gal?1-4Gal?1-4GlcNAc?-Sp Esi-14.18	94677.94	1.00	1.00
GalNAc?1-4GlcNAc?-Sp	44924.81	1.00	1.00
GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha...	1.00	81830.90	1.00
GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta...	60677.75	1.00	1.00
GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(...	143836.62	1.00	1.00
GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer...	25300.88	1.00	1.00
GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer...	6492958.31	6374824.40	5820566.50
GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer...	239797.88	194859.50	1.00
Gambieric acid B	1.00	1.00	257365.10
Gambieric acid B Esi-15.044999	651862.25	1.00	1.00
Gambieric acid B Esi-15.449	80414.44	1.00	1.00
Gambirtannine	1.00	1.00	19956.50
Gambogic acid	1.00	1.00	260833.00
Gamma-glutamyl-Alanine	215568.12	1.00	1.00
(+)-gamma-Hydroxy-L-homoarginine Esi-7.653	1.00	11701.90	1.00
Ganglioside GD3 (d18:0/20:0)	12627.31	149958.30	121197.00
Ganglioside GD3 (d18:0/24:0)	104904.62	1.00	178962.00
Ganglioside GD3 (d18:0/25:0)	292618.44	1.00	641054.10
Ganglioside GD3 (d18:0/26:0)	1.00	470188.30	1.00
Ganglioside GM1 (18:1/22:0)	390218.62	238365.20	1.00
Ganglioside GM1 (18:1/22:0) Esi-14.879001	161676.81	1.00	173699.90
Ganglioside GM1 (d18:0/23:0)	710269.88	680671.60	1.00
Ganglioside GM1 (d18:0/23:0) Esi-14.559	1.00	1.00	201632.00
Ganglioside GM1 (d18:0/23:0) Esi-14.567172	176279.19	240236.20	238639.10
Ganglioside GM1 (d18:0/23:0) Esi-14.870058	534711.38	353054.90	672886.80
Ganglioside GM1 (d18:1/22:1(13Z))	1.00	130612.20	1.00
Ganglioside GM1 (d18:1/23:0)	51013.31	1.00	143348.40
Ganglioside GM2 (d18:0/22:1(13Z))	32322.44	1.00	1.00
Ganglioside GM2 (d18:0/24:1(15Z))	7573.50	1.00	1.00
Ganglioside GM2 (d18:0/26:1(17Z))	196214.56	209301.10	1.00
Ganglioside GM2 (d18:0/26:1(17Z)) Esi-14.23	25157.00	1.00	64459.90
Ganglioside GM2 (d18:1/22:1(13Z))	35164.00	98624.50	1.00
Ganglioside GM3 (d18:0/12:0)	22688.44	1.00	1.00
Ganglioside GM3 (d18:0/25:0)	1.00	137745.00	78397.10
Ganglioside GM3 (d18:0/25:0) Esi-13.782999	1.00	80676.80	1.00
Ganglioside GM3 (d18:0/26:0)	18112.56	1.00	1.00
Ganglioside GM3 (d18:1/12:0)	4163344.50	3923667.90	3519889.60
Ganglioside GM3 (d18:1/14:0)	571942.12	1.00	1.00
Ganoderic acid F	58324.94	1.00	1.00
Ganodermic acid TQ	1.00	1.00	197408.10
Ganodermic acid TQ Esi-23.747498	1.00	126738.10	214930.20
Garciduol B	1.00	39913.20	1.00
Garciduol B Esi-18.406	47752.62	1.00	1.00
Geldanamycin Analog	617210.88	1570512.80	1120967.80
Genistein 4^-rhamnoside	1.00	302494.30	1.00
Gentamicin	42186.25	41160.20	1.00
Gibberellin A3	178801.38	1.00	1.00
Gibberellin A53	1.00	1.00	59897.50
Gibberellin A92	465665.62	555522.30	584837.00
Ginsenoside Rb1	1263012.31	1046062.60	1074403.50
Ginsenoside Rb1 Esi-14.56789	539121.62	392134.90	318806.00
Ginsenoside Rb1 Esi-14.887374	364165.12	1.00	836592.10
Ginsenoside Rb1 Esi-14.899	1.00	1.00	850932.50
Ginsenoside Rs2	280415.81	233409.30	1.00
Ginsenoside Rs2 Esi-14.407	1.00	1.00	164680.10
Ginsenoyne L	1.00	53072.20	1.00
Ginsenoyne L Esi-9.911	19645.25	1.00	1.00
Glabrachromene II	43963.00	1.00	1.00
Glandulone B	176138.56	243949.50	1.00
Glandulone B Esi-3.2642305	288433.88	1.00	246017.00
GlcCer(d16:1/18:0)	2672873.19	1708657.70	1578205.50
GlcCer(d16:1/18:0) Esi-23.399	48825.56	1.00	1.00
GlcCer(d16:1/18:0) Esi-23.715746	772850.81	1.00	1411149.10
GlcCer(d16:2(4E,6E)/20:0)	145708.31	141467.00	172196.30
GlcCer(d16:2(4E,6E)/24:0)	1.00	1.00	148857.60
Glc-GP(18:0/18:0)	99252.75	1.00	1.00
GlcNAc?1-3(Gal?1-4GlcNAc?)2-Sp	1.00	43481.30	1.00
GlcNAc?1-3Gal?1-4GlcNAc?-Sp	1.00	53185.80	1.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/16:0)	62072.44	58214.00	1.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/16:0) Esi-14.669	112676.06	1.00	1.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0)	46584324.38	30690000.00	23590000.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-14.592156	14135.50	174275.80	1.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-14.850999	92505.75	1.00	1.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-16.559	1238365.94	1.00	1.00
Glibornuride	1.00	3650735.70	251583.70
Glibornuride M2 (p-carboxyglibornuride)	137109.81	1.00	1.00
Gliquidone	1023344.94	822906.80	604311.20
Gln Asn Arg	69579.62	59199.10	58773.50
Gln Asn His	135880.62	77873.40	95869.00
Gln Asn His Esi-17.809042	59974.06	208417.70	161204.50
Gln Asn Ser	9418.94	1.00	1.00
Gln Asp Phe	18537.38	1.00	79442.70
Gln Glu Gln	347688.50	336837.10	340326.20
Gln Glu Tyr	12798.06	33736.50	1.00
Gln Ile Val	38797.81	60767.60	88739.00
Gln Phe Ile	11413.19	1.00	1.00
Gln Pro Leu	1346824.31	1140150.20	1175172.70
Gln Pro Leu Esi-18.393852	195035.06	78653.80	69846.30
Gln Pro Pro	1.00	38023.30	29869.50
Gln Ser Cys	55033.06	90176.60	78813.10
Glu Arg Phe	54531.06	1.00	1.00
Glucoconringiin	79907.50	1.00	1.00
Glucoconringiin Esi-6.1020007	1.00	1.00	61370.00
Glucoheptonic acid	1.00	1216428.60	1269110.50
Glu Gln Gln	122140.88	107412.60	91913.30
Glu Gln Val	70897.69	77096.50	60339.20
Glu Glu Thr	24321.88	16811.30	47592.90
Glu His Arg	33859.25	63123.20	47302.30
Glu His Glu	275790.19	574451.50	112115.60
Glu His Ile	35516.12	45857.30	24526.10
Glu Ile Arg	56998.94	1.00	1.00
Glu Ile Leu	37300.00	32282.60	44676.60
Glu Ile Lys	1.00	1.00	4274.30
Glu Ile Val	4580505.50	4063474.30	4071698.50
Glu Ile Val Esi-5.766665	48966.69	39456.00	63581.10
Glu Ile Val Esi-5.9629984	95678.38	89832.40	109193.30
Glu Lys His	335435.62	520369.50	414567.80
Glu Lys His Esi-19.547081	57102.25	301183.70	177779.10
Glu Met Trp	387259.94	254295.20	259521.50
Glu Phe Glu	88637.19	186428.80	1.00
Glu Pro Thr	1403379.56	1.00	1.00
Glu Thr Asp	446869.00	346145.30	285308.90
Glu Thr Thr	283902.06	1.00	1.00
Glu Tyr Pro	33058.81	34420.30	26116.30
Gly Asp Val	41478.38	1.00	1.00
Glycerol 1,2-cyclic phosphate	164561.50	234928.50	237882.80
Glycerol 1-propanoate diacetate	1.00	1.00	2606792.80
Glycerol triundecanoate	317471.69	1.00	1.00
Glycerol triundecanoate Esi-14.857001	308329.75	1.00	1.00
Glycerol triundecanoate Esi-20.89194	31458.62	1.00	149522.30
Glyceryl lactooleate	60314.25	1.00	1.00
Glycosides	186964.56	91908.70	1.00
Glycosides Esi-9.361889	71824.00	91746.30	80451.60
Glycoursodeoxycholic acid	1.00	1.00	14825.50
Glycylalanylprolylmethionylphenylalanylvalinamide	142898.12	199755.10	316532.30
Glycyl-H-1152	47214.69	7494.90	43614.70
Gly Gln Gln	1.00	1.00	15108.10
Gly Gln Gly	1.00	28946.40	1.00
Gly Lys Leu	1.00	32262.00	11622.10
Gly-Nap-OH	44413.56	34703.70	1.00
Gly-Nap-OH Esi-0.83899987	1.00	1.00	59329.60
Gly Tyr Asn	1.00	37374.60	1.00
Gly Tyr His	1.00	1.00	46409.90
GN25	167530.56	168504.00	152602.30
Gnididin	206795.12	1.00	1.00
Gonyautoxin IV	1.00	1.00	13580.00
Goserelin	371219.31	416390.00	406835.30
Goserelin Esi-13.974999	1.00	79081.50	1.00
Goserelin Esi-14.011	54857.50	1.00	1.00
Goshonoside F6	993261.56	1244704.30	1215559.50
GPSer(16:0/18:1(9Z))	111129.25	78080.50	63129.20
GPSer(16:0/18:1(9Z)) Esi-14.094	1.00	17306.30	1.00
Granisetron metabolite 4 sulfate	1.00	11737.00	1.00
Grossamide	1.00	38601.10	1.00
GSK264220A	27246.31	80755.80	81765.80
Gualenate	1.00	1.00	37089.00
Guanidinoproclavaminic acid	1.00	22291.00	1.00
GW 3965	55076.56	1.00	1.00
GW 6471	403917.19	633338.70	448935.70
GW 6471 Esi-13.514	132404.00	157586.90	142499.30
GW 6471 Esi-13.727	130742.38	1.00	1.00
GW 6471 Esi-14.841889	126990.25	102748.30	119021.20
GW 7647	259951.31	327261.50	379100.20
GW 7647 Esi-23.759872	110666.25	1.00	373270.30
Gymnodimine	106750000.38	1.00	1.00
HA-1077	15379.94	34400.60	32368.70
HAMI3379	74396.25	94818.90	1.00
Haplophytine	129926.50	1.00	1.00
Harrisonin	16040.06	1.00	20707.10
HC Toxin	22447.31	39881.00	1.00
Hedamycin	20475.31	1.00	1.00
Hedamycin Esi-15.987	23720.50	1.00	1.00
Heliotrine	1.00	1.00	25771.00
Hericene B	6851.06	1.00	1.00
Hexacosanedioic acid	307545.25	280192.00	291441.40
Hexacosanedioic acid Esi-20.018232	65289.69	150855.40	159061.90
Hexahydro-2^,3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2...	129673.31	1.00	1.00
His Arg Ala	74089.94	1.00	1.00
His Glu Asn	20649.88	54860.50	1.00
His His Cys	6677.50	1.00	1.00
His His His	67207.31	1.00	1.00
His Ile Gln	61914.00	1.00	1.00
His Leu Lys	1.00	357534.60	326579.40
His Lys Asp	104994.12	1.00	1.00
His Lys His	53486.69	1.00	1.00
His Lys Phe	20139.94	29621.90	1.00
His Lys Phe Esi-6.1037855	6468.81	18885.20	1.00
His Met Ala	374803.50	517093.20	737935.60
His Met Ala Esi-17.569	1.00	1.00	730500.10
His Met Glu	1.00	277607.70	333729.50
His Met Lys	15277.00	1.00	1.00
Hispidulin 7-(6^^-E-p-Coumaroylglucoside)	1.00	104400.20	1.00
His Pro Trp	1.00	1.00	18768.60
Histidinyl-Aspartate	1.00	74640.30	1.00
Histidinyl-Hydroxyproline	859783.50	1027675.20	2736788.60
Histidinyl-Hydroxyproline Esi-0.77300006	1.00	1.00	1279159.60
His Trp Ser	534195.50	1.00	1.00
His Val Lys	1.00	1.00	25717.30
His Val Met	53911.69	75240.70	39117.30
HMBOA-Glc	5225.06	1.00	1.00
HMB-Val-Ser-Leu-VE	63037.69	1.00	1.00
HMB-Val-Ser-Leu-VE Esi-15.069617	41604.62	104570.10	96347.00
HMB-Val-Ser-Leu-VE Esi-5.619	14856.56	1.00	1.00
Hodgkinsine	44218.81	94855.80	89936.20
Homocystine	1.00	1.00	96502.00
Homodihydrocapsaicin	159031.62	1.00	1.00
HoPhe-HoPhe-OH	1247445.31	354718.50	363188.50
Hordatine B	1325573.81	1454054.20	1404025.50
Horhammericine	258790.31	1.00	1.00
Horhammericine Esi-18.71	15020.50	1.00	1.00
Hovenidulcigenin A	541828.19	1780367.80	1.00
HPF	70265.56	1.00	42211.40
HPF Esi-1.523	1.00	18533.70	1.00
Hycanthone	1.00	105462.10	1.00
Hydramethylnon	36796.62	1.00	1.00
?-Hydroxyisobutyrate	45349539.00	26300000.00	22969759.40
Hydroxymelphalan	209899.50	1.00	1.00
Hydroxyminaline	1.00	1.00	54149.60
Hydroxythiopental	4744245.12	3813339.70	4482275.70
Hypoxylone	1.00	1.00	16577.40
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5...	245376.38	393262.90	384604.50
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5...	8800.12	52974.80	59783.60
Ile Ala Asn	1.00	40188.50	1.00
Ile Asp His	1.00	1.00	266274.00
Ile Ile Lys	40470.25	55897.90	47953.20
Ile-lle-OH	100563.88	1.00	1.00
Ile-lle-OH Esi-17.959187	101463.06	103531.30	132221.50
Ile Lys His	207323.25	216324.10	197465.20
Ile Lys Lys	33618.12	1.00	1.00
Ile Lys Lys Esi-18.367002	15137.00	1.00	1.00
Ile Phe Ile	20754.81	1.00	1.00
Ile Val Gly	12307.19	1.00	8161.40
imidapril	1.00	30700.30	1.00
Imiquimod	1.00	1.00	47400.40
Indinavir	9835.81	1.00	1.00
Indolelactic acid	1695516.69	1.00	1.00
Indoxylsulfuric acid	134119.44	177056.00	132127.80
Inosine 2^,3^-cyclic phosphate	1.00	326875.10	153403.90
Inosine-5^-carboxylate	97686.06	112330.80	117833.80
Ins-1-P-Cer(d18:1/22:0)	1.00	46240.90	1.00
Integerrenine	447351.69	428128.70	455875.00
Integerrenine Esi-13.511475	1.00	352522.10	462146.50
Integerrine	10333.88	1.00	1.00
Iprovalicarb	1.00	1.00	10477.00
Iriediol	334135.00	1.00	1.00
isepamicin	310410.50	1.00	1.00
isepamicin Esi-13.792515	813912.56	1142707.10	1148068.30
Isobutyrylglycine	472326.44	416268.30	506534.80
Isoeugenol phenylacetate	190456.38	176291.40	127345.00
Isoferulic acid 3-sulfate	122411.94	1.00	1.00
Isofraxidin	91167.38	68512.80	95377.70
Isomorellic acid	48053.50	1.00	1.00
Isoorientin 6^^-O-alpha-L-arabinoside	13115.12	1.00	1.00
Isopentyl gentiobioside	19754.50	29682.10	29005.90
Isoplumbagin	8081750.56	1.00	7374805.80
Isopropyl apiosylglucoside	2407405.06	1697799.40	1837562.20
Isopropyl apiosylglucoside Esi-18.040003	1.00	1650670.60	1.00
Isopropyl apiosylglucoside Esi-18.751	1.00	17262.40	1.00
Isoreserpine	1.00	287590.70	1.00
Isorhamnetin 3-[2^^-(4^^^-acetylrhamnosyl)-gentiobioside]	1.00	46055.60	1.00
Isoscutellarein 4^-methyl ether 8-(2^^-sulfatoglucuronide) E...	28949.88	1.00	1.00
Isoscutellarein 4^-methyl ether 8-(2^^-sulfatoglucuronide) E...	1.00	62772.20	1.00
Isoxaben	61280.12	143711.70	1.00
Isoxaben Esi-12.109461	133205.56	1.00	160528.80
Istamycin AP	1.00	1.00	7406.10
Istamycin B0	1.00	28255.60	1.00
Istamycin C0	593194.81	1089554.90	1000674.70
Istamycin C0 Esi-15.586999	164327.19	1.00	1.00
Istamycin C0 Esi-15.5872755	436463.94	388012.80	485106.60
Istamycin C0 Esi-16.0415	949799.50	1.00	1.00
Istamycin KL1	37444.81	1.00	1.00
Istamycin X0	693818.06	712034.90	1109992.70
Istamycin X0 Esi-15.615997 :1	456107.12	1.00	378029.50
Istamycin X0 Esi-15.622	1.00	1.00	195441.60
Istamycin X0 Esi-16.171446	109319.62	75614.40	61338.20
Istamycin X0 Esi-9.9388895	25483.06	1.00	59248.70
Istamycin Y0	118212.00	102279.30	104439.60
Jaceidin	1.00	11436.20	14519.50
Jadomycin B	73740.88	1.00	1.00
Jamaicamide A	85731.00	1.00	1.00
Jamaicamide B	18911.19	29873.10	1.00
Jamaicamide B Esi-10.62047	20219.81	38718.80	41951.00
Jamaicamide B Esi-11.435726	33968.56	61820.10	1.00
Janthitrem C	2059324.31	1281355.60	1304864.20
Janthitrem C Esi-14.425043	105857.00	500309.60	582350.60
Janthitrem C Esi-14.674221	608690.50	808421.90	115829.70
Janthitrem C Esi-14.834	251449.75	1.00	1.00
Janthitrem C Esi-14.837	275416.94	937285.80	502135.50
Janthitrem C Esi-15.099999	2066566.69	1.00	1.00
Jesaconitine	1258633.31	1476998.60	1572975.00
JNJ-10198409	176649.56	1.00	1.00
JNJ-10198409 Esi-12.412695	105404.81	293033.00	291562.80
JP104	99647.06	101119.80	84793.70
JP83	86128.62	62566.70	52875.90
Jurubine	1110479.25	3158999.40	2456558.50
JWH022	137514.56	486832.90	443421.10
JWH022 Esi-19.05115	140086.62	422942.50	325833.50
JWH 073 N-(4-hydroxybutyl) metabolite-d5	11282.19	1.00	1.00
JWH 073 N-(4-hydroxybutyl) metabolite-d5 Esi-6.25	24660.88	1.00	1.00
JWH 073 N-butanoic acid metabolite-d5	26876.06	76724.00	77406.80
JWH 081 N-(5-hydroxypentyl)	1.00	1.00	54463.80
JWH 081 N-(5-hydroxypentyl) Esi-18.811003	1.00	35731.00	1.00
JWH145	1.00	87761.30	87094.10
JWH 200 2^-naphthyl isomer	427358.88	1.00	951284.30
JWH 200-d5	57739.50	1.00	1.00
JWH 210 N-(5-carboxypentyl) metabolite	43040.38	67210.80	75387.70
JWH213	17980.81	1.00	1.00
Kalbreclasine	26386.88	1.00	1.00
Kanokoside D	255972.75	255909.80	1.00
Kanokoside D Esi-15.083	102819.44	1.00	1.00
Kansuinine B	93792.19	1.00	78885.60
Kanzonol R	1.00	91094.80	1.00
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)	297314.38	1.00	1.00
Ketanserin	34262.31	74858.60	58720.40
Ketanserinol	32790.50	1.00	1.00
Ketoconazole	7950.69	1.00	1.00
Ketoconazole Metabolite (2,3-Piperazinedione, 1-[4-[[2-(2,4-...	1.00	150295.30	1.00
Ketoleucine	9107990.50	9404614.20	16367847.00
Ketoleucine Esi-4.723999	1018244.56	1.00	3435711.30
ketophenylbutazone	1.00	1.00	129015.80
Ketospirilloxanthin	1.00	1.00	218322.80
Khelmarin D	258867.69	133786.20	164449.00
Kikkanol A	164201.75	193204.80	155195.70
Kikkanol A Esi-11.870001	1.00	1.00	119906.50
Kiwiionoside	37161.19	1.00	1.00
Kni 102	1195259.00	994962.00	797830.70
Kni 102 Esi-13.425002	213143.56	1.00	1.00
Kni 102 Esi-14.021692	458745.81	593509.40	1.00
Kni 102 Esi-14.574	1.00	151041.90	1.00
Kni 102 Esi-14.802616	492184.44	1.00	426939.70
Kni 102 Esi-17.123	304023.44	1.00	1.00
Kukoamine D	94695.12	315144.10	289077.20
Kurilensoside J	113972.12	1.00	1.00
Kurziflavolactone D	50104.25	1.00	26922.00
Kuwanol E Esi-15.122	51830.50	1.00	1.00
Kuwanone H	308027.62	375213.30	303334.60
Kuwanon R	66066.25	1.00	1.00
Kuwanon R Esi-13.948922	38639.88	203058.90	193302.10
L-902,688	73202.50	73081.30	46546.80
Labetalol Metabolite (b-D-Glucopyranosiduronic acid, 1-[3-(a...	8701.44	23484.00	21024.00
Lablaboside F	139041.44	1.00	1.00
LacCer(d18:0/26:1)	11362.81	1.00	1.00
Lacinilene C 7-methyl ether	418614.94	412059.70	441453.20
Lacto-N-fucoheptaose	19079.88	1.00	1.00
Lanceotoxin A	31232.62	1.00	66606.40
Lansioside A	64151.19	56922.50	1.00
Lansoprazole	244148.12	243317.50	208996.20
Lansoprazole Esi-0.84076947	29383.12	140047.80	140980.30
Lappaconitine	85893.19	184409.00	1.00
L-Arogenate	28831.62	1.00	35355.30
L-Ascorbic acid	1.00	1.00	71341.20
Laserpitin	1.00	14055.70	14070.70
Lasiodine A	37843.06	119735.30	1.00
Latanoprost-d4	1.00	1.00	96533.90
Latanoprost (free acid)-d4	30725.88	43317.90	85115.60
Latanoprost (free acid)-d4 Esi-18.924002	1.00	48247.10	29698.30
Latrunculin A	143740.50	1.00	23856.80
Laurencione diacetate	66548.56	1.00	1.00
Lauryl hydrogen sulfate	856044.56	948428.70	1037866.50
Lauryl hydrogen sulfate Esi-20.184002	1.00	1.00	808634.30
Lauryl hydrogen sulfate Esi-20.359999	792562.50	864487.20	1.00
Lauryl hydrogen sulfate Esi-21.017363	20473.44	1.00	15182.30
Lauryl hydrogen sulfate Esi-21.026402	14967.81	1.00	16640.90
Lauryl hydrogen sulfate Esi-22.029	1.00	1.00	13807.10
Lauryl hydrogen sulfate Esi-23.736	446981.81	1.00	1.00
L-Cyclo(alanylglycyl)	1.00	1.00	53229.90
Leflunomide Esi-3.274	1.00	80641.30	1.00
Leoidin Dimethyl Ether	1.00	1.00	169589.80
Leonoside B	85975.25	1.00	1.00
Lesquerolic acid	119564.50	133340.00	111512.60
Lesquerolic acid Esi-18.764057	1.00	30449.60	40452.00
Lesquerolic acid Esi-18.919157	17814.50	40886.90	44474.50
Leu Asp	55859.19	87145.90	68468.30
Leucadenone D	385321.31	1392868.20	1596981.30
Leu Cys Tyr	63448.31	134704.10	168460.60
Leu Gln Val	154425.31	77490.10	65875.70
Leu Glu Gln	32536.00	1.00	88879.00
Leu His Asn	107355.44	106333.50	111512.50
Leu His Asn Esi-0.652	1.00	1.00	3967.80
Leu Ile Gln	492271.19	765175.30	739481.70
Leukotriene B4-3-aminopropylamide	37771.31	111028.30	1.00
Leukotriene B4-3-aminopropylamide Esi-11.701998	24523.62	1.00	236110.10
Leukotriene B4-3-aminopropylamide Esi-11.704637	111489.75	241905.00	69459.30
Leukotriene B4-3-aminopropylamide Esi-11.71	1.00	31161.10	36694.70
Leukotriene B4-3-aminopropylamide Esi-11.867218	157402.12	180341.00	175853.90
Leukotriene B4-3-aminopropylamide Esi-12.382003	85738.56	166716.70	64307.90
Leukotriene B4-3-aminopropylamide Esi-13.272002	50815.44	1.00	217381.20
Leukotriene B4-3-aminopropylamide Esi-13.5269985	29977.38	1.00	55607.80
Leukotriene B4-3-aminopropylamide Esi-13.529001	1.00	1.00	876598.60
Leukotriene B4-3-aminopropylamide Esi-17.563002	80949.88	1.00	1.00
Leukotriene D4-d5	8066860.44	8850552.20	9186700.40
Leukotriene D4-d5 Esi-14.724852	436570.94	1.00	351584.00
Leukotriene D4 methyl ester	24986.38	1.00	127260.50
Leukotriene D4 methyl ester Esi-13.571001	1.00	58893.40	1.00
Leukotriene E4-d5	49473.12	81964.90	69034.70
Leukotriene F4	1.00	1.00	208765.00
Leu Lys Ser	214232.94	1.00	80500.00
L-Glyceric acid	268025.50	260572.80	265312.00
Linoleyl arachidonate	30165.44	1.00	1.00
Lipoxin C4	2890863.44	1.00	1.00
Lipoxin C4 Esi-14.214115	634312.12	599550.90	679521.00
Lipoxin C4 Esi-14.362997	1224956.62	2189636.00	1.00
Lipoxin C4 Esi-16.969027	2888183.62	3333891.70	2773077.80
Liriodenine	117429.75	111824.50	54507.70
Liriodenine Esi-1.872	37922.12	1.00	1.00
L-Isoleucine	292379.38	352359.00	270664.20
L-Isoleucine Esi-0.98600006	171240.06	100175.80	1.00
Lisuride	162643.38	169910.20	183848.90
Lithocholic acid taurine conjugate	946977.62	1698406.80	1720892.40
Lithocholic acid taurine conjugate Esi-13.262	63664.25	1.00	1.00
Lithocholic acid taurine conjugate Esi-13.403336	252270.50	333484.80	334424.90
Lithocholic acid taurine conjugate Esi-13.663893	1053162.00	1448678.10	1655737.20
Lithocholic acid taurine conjugate Esi-13.664846	1111373.62	1.00	1046581.40
Lithocholic acid taurine conjugate Esi-15.662999	1.00	1.00	26622.80
Lividomycin B	931586.69	1.00	1.00
Lividomycin B Esi-13.670999	1.00	1.00	197614.30
Lividomycin B Esi-14.844177	609231.88	488615.10	600269.80
Lividomycin B Esi-15.012224	1357165.94	1121411.50	1223426.30
Lividomycin B Esi-15.033	437398.81	1.00	1.00
Lochnericine	42684.31	95758.60	1.00
Loganin pentaacetate	147839.25	36435.40	41254.20
Losartan N2-glucuronide	50927.06	1.00	1.00
Lovastatin acid (Mevinolinic acid)	105210.94	300032.80	280542.70
Lovastatin acid (Mevinolinic acid) Esi-19.048666	1.00	254578.40	175926.00
Lovastatin acid (Mevinolinic acid) Esi-19.758	1.00	1.00	18574.10
Lucyoside K	218504.12	1.00	1.00
Lumiracoxib	32340.31	1.00	1.00
Lupalbigenin	738702.31	1964368.80	1954473.00
Lupiwighteone hydrate 7-glucoside	124292.62	89326.30	86979.00
Lupiwighteone hydrate 7-glucoside Esi-0.651	1.00	1.00	5505.30
Luteoskyrin	40648.75	1.00	1.00
Lycoctonine	289193.94	1001452.80	2879018.50
Lycoctonine Esi-14.404003	251386.44	714411.80	1.00
Lycoctonine Esi-14.408003	421390.38	1.00	393282.90
Lycoctonine Esi-14.8099985	1174855.50	1.00	3141598.50
Lycoperdic acid	15838.44	28048.60	27049.60
Lys Ala Ile	290788.62	205381.00	214284.70
Lys Gln Ile	37859.94	37612.00	47784.50
Lys Gln Lys	8386.94	16445.90	1.00
Lys Glu Tyr	23734.25	1.00	30212.30
Lys Leu Ser	20366.94	1.00	1.00
Lys Lys Arg	1.00	1.00	155620.40
Lys Lys Arg Esi-16.804998	1.00	233602.00	1.00
Lys Lys Asp	165496.75	143555.90	102975.10
Lys Lys Ser	39981.81	44086.70	38995.30
Lys Met Asn	10738.88	35823.70	29696.90
LysoPE(0:0/16:0)	13240531.12	15330000.00	13782237.00
LysoPE(0:0/16:0) Esi-14.242223	2660855.56	2945226.70	2635170.60
LysoPE(0:0/18:0)	1002217.88	1122825.30	851040.60
LysoPE(0:0/18:0) Esi-14.043	487419.69	1.00	1.00
LysoPE(18:1(11Z)/0:0)	17283297.19	14746179.00	13746531.30
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)	23243750.12	30530000.00	27810000.00
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) Esi-14.047751	17060491.44	1.00	1.00
LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	4453633.75	5685112.40	3847427.10
LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) Esi-14.593262	479943.44	1229673.10	451678.80
LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)	44137500.00	47230000.00	43250000.00
LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) Esi-13.987215	12518926.62	12088917.40	11270803.80
Lys Phe Gln	1.00	3922.00	1.00
Lys Phe Thr	305094.62	118534.40	91181.30
Lys Ser Asp	1.00	38753.70	1.00
Lys Thr Asp	17843.81	41516.20	52001.60
Lys Val Val	8541594.69	8211450.10	8482015.90
Lys Val Val Esi-15.215776	9067123.88	6137355.90	7900672.10
Macaflavone II	78335.50	1.00	1.00
Machaerol C	1.00	1.00	104762.80
Macrocarpal C	37071.81	1.00	1.00
Magnesium protoporphyrin monomethyl ester	318149.06	356848.00	337084.30
MAHMA NONOate	1.00	16214.30	1.00
makisterone B	377969.00	555178.70	1.00
makisterone B Esi-14.750736	57703.00	57784.60	1.00
Malyngamide L	1.00	1.00	137733.80
Mangostinone	11837500.62	7140000.70	13380000.40
Marasmene	377736.31	435654.20	324441.50
Marasmene Esi-14.875	1.00	1.00	328831.70
Maraviroc	13659338.44	10291996.00	9198847.20
Maraviroc Esi-16.530228	2401201.19	2777763.90	2024098.10
Margrapine A	8035.62	17979.70	1.00
Matesaponin 3	34459.19	1.00	1.00
Mauritine A	112953.38	1.00	1.00
Mayolene-16	117803.81	1.00	1.00
Mayolene-16 Esi-16.897999	182202.50	1.00	1.00
Mayolene-16 Esi-21.803219	1.00	93252.00	239093.50
Maytansine	737504.19	457070.80	620071.50
Maytansine Esi-13.948095	270711.94	308471.30	220453.20
Maytansine Esi-13.949999	1.00	1.00	332232.30
Maytansine Esi-14.2845	71877.62	1.00	577219.80
MC-207,110	19161.94	58019.80	1.00
m-Chlorophenylbiguanide	438808.06	507705.60	421235.90
MCPA-thioethyl	15824.50	1.00	22622.20
MDL 73492 glucuronide	1.00	1.00	23002.60
Mebrofenin	2548.62	2126.40	11252.30
Mecarbinzid	50243.81	152406.80	113277.80
Mecarphon	70741.38	1.00	58796.50
Mechlorethamine	1.00	207682.20	1.00
Mefruside	4413.12	1.00	1.00
Megalomicin B	27802.06	1.00	1.00
Megalomicin B Esi-13.776	13345.19	1.00	1.00
Megalomicin C1	119251.12	1.00	1.00
Megalomicin C1 Esi-14.65	27182.81	1.00	1.00
Megestrol	18904.88	21774.10	23874.00
Megestrol Esi-15.351	1.00	1.00	24810.60
Melilotin	323143.62	277740.90	473108.80
Melilotoside C	138932.75	1.00	1.00
Melizame	26657.25	73546.00	1.00
Melizame Esi-19.399	25561.50	1.00	1.00
Melongoside L	1.00	1.00	96925.90
Meloxicam	1.00	1.00	21390.60
Merphalan	9416.75	1.00	1.00
Mesoporphyrin IX	1.00	19675.40	1.00
Met-Abu-OH	1.00	1.00	22798.10
Metalaxyl-M	57142.25	66006.20	56581.40
Met Arg Arg	154408.38	183342.20	181558.00
Met Arg His	11696.69	1.00	1.00
Met Gln Thr	102162.25	1.00	94520.60
Met Glu Trp	74270.31	1.00	1.00
Methacrifos	1.00	1.00	82973.00
Methamidophos	1.00	1.00	718733.80
Methaphenilene	81074.44	48484.90	32301.30
Methional diethyl acetal	59902.38	67241.40	95479.20
Methional diethyl acetal Esi-9.087999	1.00	1.00	139879.90
Methionyl butyrate	28327.94	59114.60	70246.60
Methionyl-Cysteine	81906.12	1.00	107463.00
Methionyl-Methionine	122582.75	107314.90	174904.90
Methiothepin	1.00	68487.90	1.00
Methitural	273537.81	227969.60	290088.40
Methoprene acid	250813.94	267332.20	281722.80
Methoxybrassenin A	30012.38	1.00	28241.90
Methoxychlor	21937.12	1.00	1.00
Methyl 3,4,5-trimethoxycinnamate	10174.25	1.00	1.00
Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1-3)-[glucosyl...	1.00	1.00	38069.60
Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucos...	449168.94	484852.10	556301.10
Methyl 4-chloro-1H-indole-3-acetate	613955.31	579375.90	542176.40
Methyl 4-chloro-1H-indole-3-acetate Esi-5.3763795	46156.38	47301.50	54872.70
Methyl 5-(1-Propynyl)-2-thiophenepropanoate	209035.00	1.00	243113.10
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopen...	1.00	1.00	35598.10
Methyl Arachidonyl Fluorophosphonate	683911.94	636412.80	992262.50
Methyl Arachidonyl Fluorophosphonate Esi-9.5859995	1.00	1.00	813683.10
Methyl Arachidonyl Fluorophosphonate Esi-9.839999	1.00	675234.50	1.00
Methylcobalamin	1.00	280462.90	1.00
Methylergonovine	491551.38	1.00	870359.00
Methyl hydrogen fumarate	226503.06	1.00	1.00
Methyl hydrogen fumarate Esi-0.8059999	210594.94	1.00	1.00
Methyl hydrogen fumarate Esi-0.81276923	216661.19	1.00	31191.70
Methyl N-methylanthranilate	2840978.62	2769640.80	1422433.20
Methyl red	40821.75	105936.10	145967.40
Methyl salicylate O-[rhamnosyl-(1-6)-glucoside]	283910.19	1.00	1.00
Methyprylon	1.00	1.00	6359.70
Metixene	7071.38	39635.30	46551.00
Met Leu Trp	12510.94	36518.50	1.00
Metobromuron	31090.75	82937.30	1.00
Metominostrobin	60289.25	46768.50	35910.50
Met Pro Met	44939.81	1.00	1.00
Met Tyr Phe	108509.12	302719.70	285138.30
Met Tyr Phe Esi-18.509	1.00	41205.50	1.00
Mezerein	301643.25	1.00	1.00
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	31080.75	41521.80	212111.80
MG(18:1(11E)/0:0/0:0)[rac]	438934.56	427719.90	394439.10
MG(18:1(11E)/0:0/0:0)[rac] Esi-20.621	1.00	1.00	38277.90
MG(18:2(9Z,12Z)/0:0/0:0)[rac]	10272.56	32679.00	110557.60
MG(18:2(9Z,12Z)/0:0/0:0)[rac] Esi-19.755	25209.12	1.00	1.00
MG(22:1(13Z)/0:0/0:0)	191746.25	1.00	1.00
MGDG(16:0/18:1(9Z))	1.00	25452.40	1.00
m-Hydroxydiphenyldimercury(1+)	250677.56	315241.90	1.00
m-Hydroxydiphenyldimercury(1+) Esi-0.691	1.00	1.00	39175.20
Mibefradil	697941.75	721468.80	585789.10
Mibefradil Esi-11.61038	151594.94	1.00	111985.20
Mibefradil Esi-11.611503	95829.50	143474.80	1.00
Miconioside A	89662.06	111188.60	202974.70
Microcystin LR	64934.81	1.00	119891.10
Minabeolide-7	68800.56	1.00	1.00
Minosaminomycin	26719.75	77596.00	60113.00
Minoxidil-O-glucuronide	22844.56	57852.40	53617.30
M(IP)2C(d18:0/16:0)	269082.12	1.00	1.00
M(IP)2C(d18:0/16:0) Esi-15.441	1.00	234836.50	1.00
Mipafox	140384.75	1.00	126128.10
Mipafox Esi-10.771502	24013.69	85459.80	1.00
Mipafox Esi-8.195	1.00	122627.30	1.00
Mipafox Esi-8.878	1.00	11724.90	1.00
MIPC(t20:0/18:0(2OH))	79256.00	1.00	1.00
MIPC(t20:0/20:0(2OH))	3402150.44	2723297.80	2549351.60
MIPC(t20:0/20:0(2OH)) Esi-15.387	1149023.94	1.00	1.00
MIPC(t20:0/20:0(2OH)) Esi-15.387999	2331297.25	1.00	1.00
MIPC(t20:0/24:0(2OH))	139597.38	1.00	1.00
Misoprostol (free acid)	1.00	188455.50	1.00
Mitoxantrone dicarboxylic acid	35256.81	71078.00	58973.10
Momordicilin	164170.88	1.00	1.00
Monocrotaline	225959.00	1.00	1.00
Monocrotophos	21952.38	49440.50	1.00
Monodeallydihydroxyalmitrine	129035.50	103402.10	60490.00
Montanin	1.00	1.00	991829.50
Montbretin A	10800.56	19636.20	1.00
Morellin	101864.75	182286.20	111390.00
Mosapride	1.00	1.00	206061.30
Moxifloxacin	220552.94	1.00	1.00
Mulberrofuran P	24693.62	1.00	1.00
Mulberrofuran S	58930.00	1.00	1.00
Mulberrofuran T	58115.31	1.00	134629.40
Mupirocin	1.00	1.00	1573435.10
MurAc(oyl-L-Ala-D-?-Glu-L-Lys-D-Ala-D-Ala)-diphospho- undeca...	1281596.88	1124557.60	1073118.80
Muricatalin	40386.94	1.00	1.00
Muricatenol	9030.62	1.00	1.00
Muricatenol Esi-20.944998	1.00	1.00	14643.70
Musca-aurin-I	44014.69	1.00	26434.00
MY-5445	60230.25	55840.70	57026.70
Mycalamide B	184112.69	244279.10	210993.30
Mycalolide B	30720.12	1.00	1.00
Mycolipanolic acid (C27)	48226.38	55882.10	61984.10
Myricanol 5-(6-galloylglucoside)	186082.12	1.00	1.00
Myricanol 5-(6-galloylglucoside) Esi-5.625	9123.25	1.00	1.00
Myricanol 5-beta-sophoroside	107846.94	1.00	84815.50
Myricanol 5-beta-sophoroside Esi-14.362578	126663.75	133636.40	98870.60
Myristoleyl linoleate	1.00	1.00	332755.60
Myristoleyl linoleate Esi-19.116375	19643.38	34103.60	1.00
Myxochelin B	1.00	32401.90	31290.80
N17-Dimethylindole-3-carboxaldehyde	24872.12	60800.00	68812.80
N1-Acetylthermospermidine	9551765.81	1.00	1.00
N1-Acetylthermospermidine Esi-12.920054	43229.69	44644.60	46604.10
N1-Acetylthermospermidine Esi-18.22554	2868827.00	6459229.00	5731375.80
N-(1-Deoxy-1-fructosyl)methionine	87125.50	141779.20	113566.00
N-(1-Deoxy-1-fructosyl)methionine Esi-12.818358	21507.56	62202.70	44081.00
N-(1-Deoxy-1-fructosyl)tryptophan	1.00	1.00	36832.70
N-(1-Deoxy-1-fructosyl)tryptophan Esi-17.592	1.00	1.00	37184.50
N1,N4-Diacetylsulfanilamide	2170.75	1.00	1.00
N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine	274270.44	1.00	1.00
N1,N5,N10-Triferuloyl spermidine	1.00	333797.30	316840.50
N1,N5,N10-Triferuloyl spermidine Esi-14.339803	48964.75	125217.10	1.00
N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine	34026.88	1.00	1.00
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine	20082609.06	22558432.90	1.00
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine Esi-2...	7561298.94	1.00	1.00
N-[2-(4-Chloro-phenyl)-acetyl]-N^-(4,7-dimethyl-quinazolin-2...	51356.38	1.00	1.00
N-[2-(4-Chloro-phenyl)-acetyl]-N^-(4,7-dimethyl-quinazolin-2...	73569.69	6981.40	1.00
N2-Acetyl-L-aminoadipate	23144.00	1.00	73121.20
N2-Acetyl-L-aminoadipate Esi-1.2581818	48162.69	1.00	100554.00
N-(2-fluro-ethyl) arachidonoyl amine	1.00	1.00	251122.20
N-(2-phenylethyl)-Indomethacin amide	1.00	262322.00	1.00
N3^-Acetylapramycin	569122.62	1.00	1.00
N3^-Acetylneomycin	1.00	1.00	27613.40
N-(3-pyridyl)-Indomethacin amide	5754.81	1.00	1.00
N- (3-Trifluoromethylphenyl)Piperazine (TFMPP)	97802.12	116592.00	105571.00
N- (3-Trifluoromethylphenyl)Piperazine (TFMPP) Esi-9.168876	58311.19	1.00	1.00
N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,a...	124315.19	20476.60	146589.40
N6^-Acetylkanamycin-B	1.00	39459.30	1.00
N6-Carbamoyl-DL-Lysine	1.00	1.00	27772.10
N-Ac-Asp-Glu-Val-Asp-CHO	89765.88	54819.50	51817.20
NAc-DNP-Cys	1.00	1.00	11722.20
N-Acetyl-9-O-lactoylneuraminic acid	1.00	125188.30	1.00
N-Acetylcarbocysteine	152135.94	1.00	172504.80
N-Acetyl-D-galactosaminyldiphosphoundecaprenol	1436564.50	1413859.80	1482713.70
N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-...	55150.12	1.00	1.00
(N-Acetylglucosaminyl)2-diphosphodolichol	1.00	123386.70	1.00
N-Acetyl-leu-leu-leu-tyr-amide	38187.06	1.00	76294.00
Nafcillin	92941.31	1.00	117005.90
Nandrolone decanoate	65468.75	1.00	1.00
Nandrolone decanoate Esi-20.410997	1.00	39193.80	1.00
Na-p-Hydroxycoumaroyltryptophan	148354.38	40009.50	1.00
Na-p-Hydroxycoumaroyltryptophan Esi-17.591	16879.31	1.00	1.00
N^-arachidonoyl-N^^-diethyl ethylene diamine; N^-arachidonoy...	817152.75	391763.50	1.00
N^-arachidonoyl-N^^-diethyl ethylene diamine; N^-arachidonoy...	190376.75	1.00	1.00
N-arachidonoyl tyrosine	245070.12	207311.90	168547.20
Narbomycin	1872534.25	1.00	1.00
Narcissidine	129063.81	1.00	253744.70
N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	24471.94	1.00	13121.00
Nb-Palmitoyltryptamine	55683.62	1.00	1.00
Nb-Pentacosanoyltryptamine	325791.56	495313.70	1.00
Nb-Stearoyltryptamine	1.00	51624.50	1.00
N-Deacetylketoconazole	8503.19	1.00	1.00
N-Dealkylzuclopenthixol	114545.06	1.00	149046.50
N-Desethylquinagolide glucuronide	119529.88	100875.10	1.00
N-Desethylquinagolide sulfate	96193.12	67363.10	84861.50
N-Desethylquinagolide sulfate Esi-19.12	17677.56	1.00	1.00
N-Desmethylmifepristone (RU 42633)	13579.56	1.00	1.00
N-Desmethylzafirlukast	26188.44	24930.50	1.00
N-Didesethylquinagolide sulfate	1.00	18917.50	1.00
N-(diphenylmethylene) Glycine benzyl ester	334165.38	1.00	1.00
N-docosahexaenoyl glutamic acid	275342.38	324449.30	304695.40
N-docosahexaenoyl glutamic acid Esi-12.854999	34545.25	1.00	1.00
N-docosahexaenoyl glutamic acid Esi-13.686222	63664.94	84958.60	70255.60
N-docosahexaenoyl glutamine	196924.44	215716.60	438601.20
Neferine	1.00	219617.00	119987.40
Nelfinavir	1062818.56	1.00	1.00
Neoacrimarine I	79038.12	47033.90	1.00
Neoacrimarine K	1.00	1.00	116630.50
Neoannonin B	43999.81	1.00	1.00
Neoarctin B	113817.31	150222.50	153641.70
Neoarctin B Esi-14.067717	49844.38	89555.60	24856.20
Neoarctin B Esi-15.3102	46395.88	144822.80	192092.30
Neoarctin B Esi-19.156	8269.56	1.00	1.00
Neocarzinostatin chromophore	90194.44	1.00	1.00
(-)-Neolinderatin	1.00	864138.40	761317.80
Neotame	319875.25	221610.80	249339.20
Neotame Esi-9.581	44087.75	1.00	1.00
N-Ethylmaleimide-S-glutathione	1.00	27340.30	1.00
Neu5Gc?2-3Gal?1-4GlcNAc?-Sp	250024.25	183350.40	243301.60
Neu5Gc?2-3Gal?1-4Glc?-Sp	67919.38	1.00	1.00
NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))	12940.88	1.00	1.00
NeuAcalpha2-3Galbeta-Cer(d18:1/16:0)	7037500.81	1.00	7047304.10
NeuAcalpha2-8NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4G...	53256.62	1.00	1.00
NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d1...	1.00	1.00	45676.10
Nevadensin 5-gentiobioside	85821.69	1.00	1.00
Nevirapine	12859.56	1.00	11126.60
N-Feruloylaspartic acid	186192.94	145656.00	164535.90
N-Feruloylaspartic acid Esi-8.180532	5893.56	17299.60	27912.30
N-formylmaleamic acid	8385642.31	3203107.60	3508613.50
N-Formylmethionyl-Leucylphenylalanine	32720.81	105844.50	122804.50
N-Formyl-norleucyl-leucyl-phenylalanyl-methylester	15203.06	45637.40	13445.80
Niazimin A	238022.00	341211.20	376907.40
Nicarbazin	1.00	15792.10	1.00
Niguldipine Esi-11.651002	8691.44	41032.40	53802.70
Nitazoxanide	85262.81	66261.30	76221.70
NKH477	12568881.06	10874952.20	11116492.00
NKH477 Esi-13.966839	3495725.75	3300257.70	3346971.40
N-linolenoyl-glutamine	67701.00	91842.80	104181.30
N-linolenoyl-glutamine Esi-10.548	1.00	144127.60	367098.10
N-linolenoyl-glutamine Esi-11.3399	6438.25	18517.90	17613.70
N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-...	693804.06	221724.60	186473.20
N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one	1.00	8567.80	1.00
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine	138960.06	1.00	1.00
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine Esi...	1.00	1.00	13555.40
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine Esi...	11252.31	1.00	1.00
n,n^-dinitrosopiperazine	1161276.06	1.00	1.00
n,n^-dinitrosopiperazine Esi-3.2796123	2509939.81	1798120.80	2055682.40
N,N^-Diphenyl-p-phenylenediamine	1.00	15894.60	35176.50
N-Nitrosotomatidine	1.00	66691.70	1.00
N-Nitrosotomatidine Esi-18.211845	9880.00	45542.40	1.00
N-oleoyl asparagine	1.00	1.00	11471.90
N-Oleoyl Dopamine	1.00	1.00	33612.40
N-oleoyl glutamine	1378576.12	1275218.30	1221295.10
N-oleoyl leucine	65548.56	1.00	135559.70
Nomilinic acid	1.00	1.00	15107.20
Nonoxynol-9	621035.56	877842.00	986112.90
Norbinaltorphimine	73386.62	1.00	193762.30
Norepinephrine sulfate	433144.69	419848.80	452111.00
Norfuraneol	312808.06	1.00	61109.00
Nostocyclopeptide A1	364774.00	194283.20	223715.60
Nostoxanthin sulfate	1.00	152201.70	1.00
Nostoxanthin sulfate Esi-17.429855	104369.62	1.00	1.00
Notoginsenoside R4	98136.25	1.00	131931.70
Notoginsenoside R9	515695.69	650417.90	1253488.30
N-palmitoyl leucine	13600.06	41870.30	94772.80
N-palmitoyl leucine Esi-19.009	1.00	1.00	47205.70
N-palmitoyl phenylalanine	3528.00	1.00	1.00
N-palmitoyl tryptophan	64061.19	1.00	1.00
NPC	80050.81	1.00	1.00
N-Phosphohypotaurocyamine	1.00	1.00	15140.00
NSC 23766	1.00	1.00	756327.50
N-stearoyl alanine	25489.12	48420.20	47826.10
N-stearoyl proline	32662.31	1.00	1.00
N-stearoyl proline Esi-18.875751	26919.81	45699.30	1.00
N-stearoyl proline Esi-18.880999	1.00	1.00	47430.40
N-stearoyl tryptophan	70370.19	1.00	1.00
N-tryptophanyl-35-aminobacteriohopane-32,33,34-triol	61537.94	1.00	1.00
NU 7026 Esi-13.103081	23654.88	46220.50	55367.90
N-Valerylglycine methyl ester	4450823.62	3657105.70	3875758.50
N-Valerylglycine methyl ester Esi-5.969946	1389533.00	565094.20	1409082.60
NVP-BEZ235	1.00	147644.40	167693.30
NVP-BEZ235 Esi-19.376516	69441.56	166931.90	140343.60
O-Acetylcypholophine Esi-13.734918	867746.00	1357776.50	1019547.20
O-Acetylcypholophine Esi-19.113197	263925.44	1.00	1.00
Ochrolifuanine A	71388.69	1.00	1.00
Octadecanedioic acid	1985219.56	1.00	2946199.80
Octadecanoic acid-1,2,2,2-tetrafluoro-1-(trifluoromethyl)eth...	54801.38	1.00	1.00
Octadecanoic acid, 2-mercapto-; alpha-Mercaptostearic acid	1.00	10835.30	10539.20
Octamethyltrisiloxane	6593.38	15338.10	23563.10
Octinoxate	64094.19	79403.10	88489.60
o-Hydroxyfinasteride	81451.94	1.00	116872.60
Oil Orange SS	21722.50	1.00	23941.20
Okanin 4^-alpha-L-arabinofuranosyl-(1-4)-glucoside	39434.44	1.00	1.00
Olanzapine	88389.62	124822.40	124214.10
Olanzapine Esi-11.483528	7799.88	27015.50	29523.60
Oleoyl 3-carbacyclic Phosphatidic Acid	116551.06	120585.20	119378.40
Oleoyl 3-carbacyclic Phosphatidic Acid Esi-10.19755	87370.25	90786.20	66083.90
Oleoyl 3-carbacyclic Phosphatidic Acid Esi-9.697	1.00	1.00	14775.10
Olprinone	35552.62	1.00	36329.20
O-Methylisoetharine sulfate	26703.38	35601.20	33551.60
O-Methylsomniferine	309542.00	324855.80	240165.50
Omphalotin A	6003.69	1.00	1.00
Orientaloside	1.00	1.00	34595.70
Oryzalin	153150.00	1.00	1.00
Oryzanol A	1316168.50	537581.10	1.00
Oscillatoxin A	779181.69	738819.20	772912.80
Oscillatoxin A Esi-13.667364	506379.19	870887.30	849893.60
Oseltamivir	245777.69	284781.60	190783.50
Oseltamivir Esi-12.221	66188.88	1.00	1.00
Oxaburimamide	4319.50	1.00	1.00
Oxaburimamide Esi-3.28	7846.00	1.00	1.00
Oxadiazon	25126.62	1.00	1.00
Oxepahyperforin	37206.69	101913.00	1.00
Oxotolrestat glucuronide	1.00	1.00	4296.00
Oxyphencyclimine	24695.81	31291.60	34474.80
Oxytetracycline	165966.56	1.00	57851.50
Oxytetracycline Esi-1.5249999	1.00	1.00	3157449.00
PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	189849.19	1.00	1227906.30
PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-18.22917	302538.56	1416452.90	880092.50
PA(13:0/18:3(6Z,9Z,12Z))	43125.62	1.00	1.00
PA(18:3(9Z,12Z,15Z)/0:0)	68975.75	132501.20	1.00
PA(18:3(9Z,12Z,15Z)/0:0) Esi-15.619001	38908.62	1.00	1.00
PA(20:3(8Z,11Z,14Z)/13:0)	981239.31	1531580.60	1.00
PA(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)	1.00	101165.40	1.00
PA(22:2(13Z,16Z)/20:0)	330433.62	1.00	1.00
PA(22:2(13Z,16Z)/20:0) Esi-17.563997	33731.25	1.00	1.00
PA(22:4(7Z,10Z,13Z,16Z)/0:0)	168372.62	1.00	424806.90
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)	371993.50	294159.90	282245.20
Palmitic acid	1.00	293473.60	304677.00
Palmitoleoyl 3-carbacyclic Phosphatidic Acid	1.00	1.00	16676.80
Palmitoyl glucuronide	1.00	1.00	32747.10
Palmitoyl Serotonin	69843.44	42933.40	49105.10
Palmyramide A	1.00	1.00	34243.20
Pamidronate	130521.00	326090.80	293863.10
Panasenoside	29986.81	1.00	1.00
Panaxadiol	7099.69	1.00	8388.30
Pandaroside B	193384.06	1.00	1.00
Panfuran S	546027.56	521462.10	256885.00
Pantothenic Acid	246120.69	1.00	290795.40
Pantothenic Acid Esi-2.43	217080.38	1.00	1.00
PA(O-20:0/0:0)	232341.31	240399.90	1.00
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1724202.50	863452.20	624540.40
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-23.697498	393155.69	1.00	617908.70
PA(P-16:0/0:0)	172133.38	1.00	214734.60
PA(P-16:0/15:1(9Z))	12363188.12	10718275.40	10007972.20
Patellamide C	347627.81	279334.70	1.00
Patellamide C Esi-14.6015	285689.31	1.00	297008.90
Patellamide C Esi-14.832718	113201.25	101498.80	100089.00
Patellamide C Esi-15.121277	163835.88	1.00	189527.30
Paucin	4057.69	1.00	1.00
p-Coumaroylagmatine	73884.62	1.00	1.00
p-Cresol	88507.75	130643.60	163742.70
PD 123177	248768.50	179146.20	111192.40
PD 173074	39734.88	1.00	40894.10
PE(13:0/0:0)	19651.44	1.00	1.00
PE(13:0/0:0) Esi-8.8502	1.00	16769.20	31389.50
PE(15:0/16:0)[U]	38841.94	1.00	1.00
PE(18:0/0:0)	2887532.00	2752255.50	2879687.90
PE(18:0/0:0) Esi-13.6850605	490092.00	594032.40	542564.00
PE(19:0/0:0)	125256250.06	181500000.00	70110000.30
PE(19:0/0:0) Esi-15.639	1.00	1.00	587647.60
PE(19:0/19:0)[U]	23767.75	1.00	1.00
PE(20:0/0:0)	1653685.44	1374106.90	1207559.60
PE(20:0/0:0) Esi-12.4609995	1.00	1.00	45797.50
PE(20:0/0:0) Esi-15.399	1.00	1.00	554453.20
PE(20:0/0:0) Esi-15.449843	429895.00	636470.70	1.00
PE(20:0/0:0) Esi-15.505648	857939.75	960000.80	895840.20
PE(20:0/0:0) Esi-16.537123	175932.19	346781.90	1.00
PE(20:1(11Z)/0:0)	1589732.44	1456043.10	1485731.80
PE(20:1(11Z)/0:0) Esi-15.071059	325860.56	343333.60	337371.80
PE(20:2(11Z,14Z)/0:0)	1425651.31	1426214.90	1413427.30
PE(20:2(11Z,14Z)/0:0) Esi-13.972	1.00	1.00	281804.50
PE(20:2(11Z,14Z)/0:0) Esi-13.972372	14812500.62	1.00	34680000.00
PE(20:2(11Z,14Z)/0:0) Esi-13.973057	383508.44	384955.10	367166.30
PE(20:2(11Z,14Z)/0:0) Esi-14.2688465	41900000.62	68670000.00	87710000.00
PE(20:3(8Z,11Z,14Z)/0:0)	1700060.38	1489254.60	1541709.50
PE(20:3(8Z,11Z,14Z)/0:0) Esi-14.924429	91074.00	1.00	55953.70
PE(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)	41791.69	12956.60	1.00
PE(22:0/0:0)	280279.44	1.00	1.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0)	22181250.00	25380000.00	16654855.10
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-13.98833	157708.62	189181.20	167224.40
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.015497	10104555.44	17810000.00	1.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.241123	19550000.62	1.00	51060000.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.242999	19362500.62	1.00	1.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.243	19968750.75	1.00	1.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.530001	1.00	1.00	608549.60
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.641	1515739.00	1.00	1.00
PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	138167.81	1.00	1.00
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	8656250.75	1.00	57260000.00
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Esi-14.486	1.00	1.00	143806.70
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)	127972.31	1.00	1.00
PE-Cer(d14:1(4E)/16:0)	1.00	1.00	444731.50
PE-Cer(d14:1(4E)/18:0(2OH))	1.00	636564.30	1.00
PE-Cer(d14:2(4E,6E)/16:0(2OH))	1.00	171422.40	520747.70
PE-Cer(d16:1(4E)/16:0)	1.00	1.00	18023.50
PE-Cer(d16:2(4E,6E)/16:0)	127825.00	1.00	1.00
PE-Cer(d16:2(4E,6E)/16:0) Esi-18.225002	1.00	1.00	96642.40
Pederin	5626111.00	5509571.80	6286367.60
Pederin Esi-13.385335	1189141.25	1278781.50	722572.20
Pederin Esi-13.51	1.00	4744842.40	1.00
Pederin Esi-14.612331	1.00	1911971.10	1292131.60
Pederin Esi-14.62	860555.31	1.00	1.00
Pederin Esi-15.964503	268877.06	1.00	1.00
Pederin Esi-16.31723	1645279.00	1.00	1325661.50
Pederin Esi-16.318275	1638017.56	1467825.50	1328462.40
Pencycuron	46033.44	40549.80	55251.70
Penicilloic acid of 5-OH	1.00	48605.40	1.00
Pentacarboxyl porphyrinogen III	1.00	1.00	8200.10
PE(O-16:0/16:0)	70835.94	1.00	1.00
PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	88881.80	68061.30
PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi-18.137074	20890.50	1.00	106746.60
PE(O-18:0/0:0)	440028.50	326865.90	1.00
PE(O-18:0/0:0) Esi-15.567857	749661.06	1.00	1143145.10
PE(P-16:0/0:0)	1130613.50	1107476.00	359676.20
PE(P-16:0/0:0) Esi-15.062601	485045.12	1.00	987671.20
PE(P-18:0/0:0)	765626.12	802393.80	939491.70
PE(P-20:0/20:3(8Z,11Z,14Z))	1.00	1.00	66003.00
PE(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	62052.06	1.00	1.00
Perakine	84677.94	108104.10	65674.70
Perazine	1.00	1.00	14330.00
Perfluoroacetyl chloride	50119.38	1.00	166480.80
Perfluoroacetyl chloride Esi-0.8309999	1.00	162804.80	1.00
Perfluorooctanesulfonic acid	1.00	1.00	26551.10
Pergolide sulfone	24972.88	1.00	1.00
Pergolide sulfone Esi-10.179499	24564.62	1.00	78616.10
Periandrin V	17572.56	1.00	1.00
Periciazine	241494.56	151039.30	149068.40
Permetin A	4925345.62	3071695.40	3388807.50
Permetin A Esi-16.517	217457.75	1.00	1.00
Perphenazine	1.00	13502.50	1.00
Petasitenine	135235.00	176033.20	1.00
Petromyzonol	69288.19	57657.90	84569.10
PG(12:0/16:0)	282664.81	263652.80	1.00
PG(12:0/17:2(9Z,12Z))	1.00	1.00	51046.90
PG(13:0/20:4(5Z,8Z,11Z,14Z))	27234.56	1.00	25239.20
PG(14:1(9Z)/12:0)	4327.75	1.00	1.00
PG(14:1(9Z)/14:1(9Z)) Esi-23.622	18507.88	1.00	1.00
PG(15:0/12:0)	1.00	65956.80	1.00
PG(15:0/16:0)	211011.44	276420.90	189160.90
PG(15:0/16:0) Esi-10.005	14199.50	1.00	1.00
PG(17:1(9Z)/22:2(13Z,16Z))	13075.00	1.00	1.00
PG(18:1(9Z)/0:0)	1.00	141876.90	1.00
PG(18:4(6Z,9Z,12Z,15Z)/12:0)	49472.50	1.00	1.00
PG(20:0/0:0)	526632.56	1512121.70	1.00
PG(21:0/0:0)	1.00	13167.90	1.00
PG(22:1(11Z)/22:0)	348040.88	344109.30	386879.00
PG(22:2(13Z,16Z)/0:0)	443248.56	1.00	1.00
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)	136084.81	1.00	1.00
PGF2?-11-acetate	1.00	1.00	34241.90
PGF2?-11-acetate methyl ester	1.00	165154.10	161730.20
PGF2?-11-acetate methyl ester Esi-19.169	49375.19	1.00	1.00
PGI2-EA	35885.44	82402.80	81562.00
PG(P-16:0/18:4(6Z,9Z,12Z,15Z))	1.00	1.00	229008.10
PG(P-20:0/18:3(9Z,12Z,15Z))	213625.25	1.00	1.00
PG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	15900.25	1.00	1.00
Phaclofen	456863.06	459386.80	438216.40
Phalaenopsine T	48840.19	50697.60	43552.20
Phalloidin	360752.69	1.00	1.00
Phe4Cl-Nap-OH	358095.31	1.00	1.00
Phe4Cl-Phe4Cl-OH	6089.19	1.00	1.00
Phe Arg Arg	18137500.00	14580362.80	16155232.00
Phe Arg Arg Esi-13.385848	208295.12	1.00	251209.10
Phe Arg Arg Esi-13.995496	1.00	16680000.00	14348393.90
Phe Arg Val	12095.50	1.00	1.00
Phe Asp Asn	35689.62	1.00	36469.30
Phe Cys Lys	1128349.56	1039502.10	1074731.90
Phe Cys Lys Esi-19.116	17790.06	1.00	1.00
Phe Cys Trp	179564.00	1.00	209028.70
Phe His Glu	164516.75	62419.60	1.00
Phe Lys Lys	82376.44	166218.80	1.00
Phe Met Phe	23861.19	1.00	1.00
Phenanthrene-4-carboxylate	8447606.56	3052117.70	3656166.80
Phe-Nap-OH	210479.38	18397.00	1.00
Phenisopham	138055.06	79760.80	74314.90
Phenmedipham	111220.12	1.00	1.00
Phenylamil	108323.62	1.00	149896.80
Phenylephrine 3-O-sulfate	1.00	48994.70	38227.50
Phenyl sulfate	621636.38	557770.00	1552249.20
Phenyl vinyl sulfide	1711063.00	3489296.10	3041619.60
Phenyl vinyl sulfide Esi-0.77684623	2231646.56	3220140.30	1.00
Phe Pro Glu	9811.50	41782.00	44940.20
Phe Trp Leu	28602.31	1.00	1.00
Phe Trp Trp	542988.31	1.00	1.00
Phe Trp Trp Esi-14.903789	15529.69	20204.30	11904.90
Philanthotoxin	11675659.81	11853748.60	10462068.30
Philanthotoxin Esi-15.965054	1663055.50	1504793.40	1218171.10
Phlegmarine	416311.19	368942.80	405681.20
Phlorisobutyrophenone 2-glucoside	49226.81	1.00	1.00
PHOME	81683.00	56837.70	66408.70
Phoslactomycin B	230750.75	255050.70	268323.30
Phoslactomycin B Esi-13.793	94299.75	1.00	1.00
Phosphatidyl glycerol Esi-1.2580001	1.00	1.00	39363.70
Phospho-L-serine	620743.25	464496.90	473074.20
Phthalazinone pyrazole	894478.62	818229.30	857502.10
Phthalic acid Mono-2-ethylhexyl Ester	7092423.75	7273694.10	7571591.80
Phthalic acid Mono-2-ethylhexyl Ester Esi-21.041466	91593.19	1.00	63422.90
Phthalic acid Mono-2-ethylhexyl Ester Esi-22.013496	58646.38	1.00	39316.00
p-Hydroxyfosinopril	155827.88	237122.20	1.00
p-Hydroxyfosinopril Esi-14.575	272751.94	1.00	1.00
p-Hydroxygliquidone	1.00	41072.00	1.00
p-Hydroxytiaprofenic acid	64855.44	60975.50	74712.30
Phyllanthin	1.00	158448.60	1.00
Phyllanthusol A	1.00	1.00	74834.70
Phyllanthusol A Esi-15.091001	1.00	29078.80	1.00
Physalolactone	71861.75	1.00	1.00
Phytenic acid	15421.25	1.00	12706.40
Phytyl phosphate	14442.81	1.00	1.00
PI(15:0/17:1(9Z))	1.00	1.00	28110.00
PI(16:1(9Z)/0:0)	94484.88	76590.30	146909.20
PI(16:1(9Z)/0:0) Esi-15.032	1.00	124089.60	1.00
PI(18:0/0:0)	1.00	1.00	322726.40
PI(18:0/22:0)	1.00	276373.80	185231.70
PI(18:0/22:2(13Z,16Z))	104503.56	334593.50	1.00
PI(18:0/22:2(13Z,16Z)) Esi-15.679	1.00	1.00	69256.70
PI(18:1(9Z)/0:0)	172559.00	260307.90	1.00
PI(18:2(9Z,12Z)/0:0)	85744.12	1.00	171755.50
PI(18:2(9Z,12Z)/0:0) Esi-14.804	1.00	232078.30	1.00
PI(18:3(9Z,12Z,15Z)/0:0)	60809.56	222054.40	217000.50
PI(19:1(9Z)/0:0)	533622.25	1.00	1.00
PI(19:1(9Z)/0:0) Esi-15.002001	134341.56	1.00	1.00
PI(20:1(11Z)/0:0)	1.00	1.00	79693.50
PI(22:0/19:0)	41263.75	1.00	1.00
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	5017122.56	1.00	3658013.90
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.567055	1418149.56	1304661.00	1090064.90
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.808	51380.12	1.00	1.00
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.902002	1.00	1.00	3479479.10
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-15.244	1.00	1.00	45775.80
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-15.258001	1.00	1.00	220270.50
Picosulfate	57611.88	1.00	70482.00
PI(O-16:0/0:0)	45657.44	905245.10	1072644.30
PI(O-16:0/17:1(9Z))	25096.75	45734.70	1.00
PI(P-16:0/12:0)	124142.69	514131.60	493947.80
PI(P-16:0/16:1(9Z))	1.00	53281.40	1.00
PI(P-16:0/16:1(9Z)) Esi-18.521	99075.31	1.00	1.00
PIP(18:3(6Z,9Z,12Z)/18:1(9Z))	518193.31	1.00	781247.70
PI(P-20:0/20:4(5Z,8Z,11Z,14Z))	132012.88	129135.20	1.00
PI(P-20:0/22:4(7Z,10Z,13Z,16Z))	227341.69	222505.40	1.00
PI(P-20:0/22:4(7Z,10Z,13Z,16Z)) Esi-14.531585	273043.00	1.00	207497.60
PIP3(18:0/18:1(9Z))	1.00	739406.50	1.00
Pipazethate	51337.00	1.00	1.00
Piperochromenoic acid	53615.06	1.00	1.00
Piperolactam C	13263.56	1.00	1.00
Piperonyl sulfoxide	884750.25	3020416.00	1.00
Pipobroman	40208.81	1.00	59226.20
Pirimiphos-ethyl	42645.19	50175.70	53463.10
Piscerythramine	82966.44	46026.60	36317.60
Piscerythramine Esi-15.218	1.00	1.00	22783.20
Pivmecillinam	1.00	1.00	33974.60
Pivmecillinam Esi-8.838	1.00	1.00	5619.20
Platycodin C Esi-14.201999	25035.88	1.00	1.00
Platycodin D	53453.25	104526.20	1.00
Plitidepsin	629449.56	515446.30	853772.50
Plocamene B	223677.62	186988.80	190650.80
Polysorbate 20	1.00	1.00	32762.80
Pomiferin	5416107.69	5375189.90	4555250.20
Pomiferin Esi-15.308001	1.00	1.00	4430042.90
Ponceau SX	1.00	1.00	22209.60
Posaconazole	33754.06	1.00	1.00
p-(Phenylazo)benzenesulfonic acid	50490.94	1.00	57645.70
Pramipexole	1.00	1.00	7902.70
Prazepam	754809.81	567487.40	882544.10
Praziquantel	161621.25	1.00	1.00
Prednimustine	1.00	78681.80	1.00
Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl-	28552.75	1.00	1.00
Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- Esi-16.603848	1.00	8573.40	24479.10
Pregna-4,16-diene-3,11,20-trione	55293.88	121848.70	128058.90
Pregnenolone sulfate	200484.94	221135.40	261311.40
Pregnenolone sulfate Esi-18.647598	28062.62	116432.00	99578.50
Prekinamycin	6194.31	1.00	1.00
Prieuranin Acetate	6626.62	1.00	1.00
Proansamycin X	692136.44	1.00	1.00
Pro Arg Ile	1.00	1.00	17757.70
Probenecid	46967.38	65670.80	66863.00
Prochlorperazine sulfone	1.00	143794.30	1.00
Pro Glu Glu	352560.25	1.00	1.00
Pro Glu Glu Esi-18.266575	11399.38	767761.20	608167.10
Pro Glu Trp	1296936.19	1610426.40	1298433.50
Pro His Arg	226637.75	366325.10	234041.90
Pro His His	116730.75	386350.90	431317.70
Pro Ile Lys	78921.25	1.00	1.00
Prolyl-Cysteine	50168.12	46162.70	46782.40
Prolyl-Methionine	27811.00	1.00	1.00
Pro Lys Gln	64978.12	99422.10	88814.50
Pro Lys Thr	106426.44	158230.00	148851.80
Promethazine sulfoxide	1509767.19	1751050.70	2016682.20
Promethazine sulfoxide Esi-1.5336301	96596.25	230801.40	233304.40
Pro Met Thr	154232.56	1.00	1.00
Pro Met Tyr	252037.88	983931.10	1238519.10
Pro Met Tyr Esi-18.5	1.00	951444.30	1.00
Propachlor	14883.31	1.00	48830.30
Propicillan	253536.50	244737.50	246936.90
Propicillan Esi-0.9485713	1.00	221480.50	207042.70
Prorocentrolide	1.00	1.00	30737.30
Prostaglandin E2-PEG11-biotin	4086261.69	3691634.10	3082710.90
Prostaglandin E2-PEG11-biotin Esi-14.863946	3235596.25	2773259.10	2428216.50
Prostaglandin E2-PEG11-biotin Esi-16.969559	1438599.69	706927.00	555225.40
Prostaglandin E2-PEG11-biotin Esi-17.033998	772076.00	1.00	1.00
Prostalidin A Esi-5.978	18261.56	1.00	1.00
Prostalidin A Esi-6.4725	12518.69	65108.20	66393.00
Prothiocarb	1.00	9227.90	1.00
Protoverine	16225000.50	38050000.00	1.00
Protoverine Esi-13.779785	11251449.56	13076894.90	13638187.20
Pro Trp Tyr	27626.00	91121.30	1.00
Pro Tyr Ile	210803.62	208316.60	218318.60
PS(15:0/12:0)	1.00	52253.70	1.00
PS(16:0/22:2(13Z,16Z))	1504556.38	601447.80	552653.20
PS(16:0/22:2(13Z,16Z)) Esi-14.971	38777.12	1.00	1.00
PS(16:0/22:2(13Z,16Z)) Esi-15.417999	312827.56	1.00	1.00
PS(16:1(9Z)/22:2(13Z,16Z))	342470.12	204001.40	1.00
PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	60387.00	1.00	1.00
PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi-14.863	57653.81	1.00	1.00
PS(17:0/22:1(11Z))	1.00	1.00	7726733.60
PS(17:0/22:1(11Z)) Esi-23.753	81674.25	1.00	1.00
PS(18:0/19:0)[U] Esi-14.462999	1.00	1.00	5513643.00
PS(18:0/19:0)[U] Esi-14.772738	1.00	5953017.10	6997686.80
PS(18:1(9Z)/18:2(9Z,12Z))[U]	30486.06	58805.00	1.00
PS(18:1(9Z)/22:2(13Z,16Z))	22712500.00	20810000.00	18870000.00
PS(18:2(9Z,12Z)/0:0)	1.00	602994.20	1060176.10
PS(18:2(9Z,12Z)/18:2(9Z,12Z))[U]	3712.00	1.00	1.00
PS(19:0/0:0)	148459.00	64826.40	1.00
PS(19:0/0:0) Esi-14.080001	1.00	1.00	141758.90
PS(19:0/22:4(7Z,10Z,13Z,16Z))	1.00	139580.60	1.00
PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))	86277.50	1.00	1.00
PS(20:0/0:0)	1304381.31	1.00	1.00
PS(20:0/22:2(13Z,16Z))	19980.81	1.00	1.00
PS(20:1(11Z)/0:0)	9885.38	1.00	1.00
PS(20:2(11Z,14Z)/0:0)	8129387.38	5412660.20	5579615.50
PS(20:2(11Z,14Z)/0:0) Esi-14.404	82978.94	1.00	1.00
PS(20:3(8Z,11Z,14Z)/0:0)	936418.56	942604.90	1145362.10
PS(20:3(8Z,11Z,14Z)/0:0) Esi-14.658332	341326.44	446194.80	387096.40
PS(20:4(5Z,8Z,11Z,14Z)/0:0)	1327044.88	1092268.10	1485419.10
PS(21:0/0:0)	48206250.00	1.00	1.00
PS(21:0/0:0) Esi-15.392713	153187500.12	1.00	1.00
PS(22:0/12:0)	94458.94	68728.30	1.00
PS(22:1(11Z)/0:0)	1.00	1.00	79508.40
PS(22:2(13Z,16Z)/0:0)	14856380.06	1.00	1.00
PS(22:2(13Z,16Z)/0:0) Esi-16.542263	10331869.81	1.00	1.00
PS(22:4(7Z,10Z,13Z,16Z)/0:0)	16847718.62	14100000.00	14796638.40
PS(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-13.959272	5648313.69	5533607.50	5528322.40
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)	24601.44	1.00	47707.60
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z))	221232.56	1.00	1.00
Pseudouridine	705732.56	489831.40	775726.60
Psilocybin	1571543.25	1664104.60	1379673.80
PS(O-16:0/0:0)	239044.69	254196.80	204521.50
PS(O-18:0/0:0)	1.00	205306.70	1.00
PS(O-18:0/18:4(6Z,9Z,12Z,15Z))	1.00	1.00	13034.20
PS(P-16:0/18:4(6Z,9Z,12Z,15Z))	2555487.00	2133057.10	2142142.40
PS(P-18:0/12:0)	1.00	1.00	69327.20
PS(P-18:0/20:4(5Z,8Z,11Z,14Z))	28395.44	1.00	1.00
PS(P-20:0/14:0)	23302.50	1.00	271042.00
psychosine sulfate	86601.50	1.00	1.00
psychosine sulfate Esi-11.777	283896.38	1.00	1.00
PtdIns-(1,2-dioctanoyl)	452932.38	458542.60	1.00
PtdIns-(3,4,5)-P3 (1-stearoyl, 2-arachidonoyl)	1.00	1.00	24729.60
Ptilosteroid C	11978.75	1.00	1.00
Pyrene-1,8-dione	1.00	1.00	134659.00
Pyridafenthion	232551.12	260208.40	135779.80
Pyridate	37401.88	1.00	1.00
Pyriminobac-methyl	1.00	49242.00	42100.10
Pyrrhoxanthin	93945.50	267786.30	1.00
Quercetin 3-(3^^,6^^-di-p-coumarylglucoside)	1.00	1.00	15758.70
Quercetin Tetramethyl (5,7,3^,4^) Ether	47350.69	63381.00	1.00
Quillaic acid 3-[galactosyl-(1-2)-glucuronide]	22671.19	1.00	1.00
Quinagolide glucuronide	6734860.38	4436908.30	3543949.20
Quinestrol	197838.75	227400.60	1.00
Quinquenoside IV	1.00	1.00	274667.20
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	1.00	1.00	726874.10
R-3-(Methylthio)-1-hexanol	53016.44	100880.10	1.00
R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-...	1.00	1.00	12527.10
Ranolazine	5749.25	37877.10	26508.90
(R)-Apiumetin	203550.50	166055.80	162315.60
(R)C(R)S-S-Propylcysteine sulfoxide	92484.44	1.00	64352.90
(R)C(R)S-S-Propylcysteine sulfoxide Esi-4.974923	1.00	118259.00	67685.10
(R)C(R)S-S-Propylcysteine sulfoxide Esi-5.548	16878.31	1.00	1.00
Rebaudioside C	29287.56	1.00	1.00
Rebaudioside D	42548.50	1.00	1.00
Red chlorophyll catabolite	38541.00	61387.60	1.00
Rengasin trimethyl ether	49064.50	1.00	1.00
Renilla luciferin	191055.88	257182.80	298227.60
Renilla luciferin Esi-17.47116	163654.50	157881.00	230149.80
Renilla luciferin Esi-17.472998	1.00	1.00	235750.90
Rescinnamine	929971.19	338790.70	719504.80
Rescinnamine Esi-14.838336	141425.56	186998.30	187171.80
Rescinnamine Esi-15.041779	511465.25	510910.40	547351.70
Rescinnamine Esi-16.316877	209790.44	140634.40	127236.20
Reserpic acid	33798.19	32918.60	64192.60
Resiniferatoxin	137541.19	1.00	1.00
Resolvin E2	278754.62	296638.10	211869.20
Resorcinolnaphthalein	19083.75	43358.20	45505.80
(R)-(E)-Sulforaphene	1.00	52055.80	1.00
Retrofractamide D	22358.31	1.00	21690.40
Rhein sulfate	1.00	59394.40	1.00
Rhizochalinin D	82576.12	1.00	236126.80
Rhizochalinin D Esi-22.570372	24021.38	1.00	68545.40
Rhizochalinin D Esi-23.732	83084.44	1.00	1.00
Ribavirin 5^-phosphate	10651.69	1.00	1.00
Ribosylimidazoleacetic acid	25158.81	1.00	1.00
Ricinoleic Acid methyl ester	11681.56	1.00	1.00
Riddelline	1.00	247938.30	323696.90
Rifamycin	449456.69	1.00	1.00
Rifamycin Esi-15.079023	228119.81	258150.40	303060.40
Rifamycin S	156514.19	1.00	1.00
Rifamycin S Esi-13.958	100806.62	1.00	1.00
Risperidone	589671.12	115870.20	103105.80
Ritonavir	885191.38	659825.00	644329.00
Ritonavir Esi-15.103308	339017.69	344578.80	1.00
Ritonavir Esi-15.33237	275514.88	1.00	341211.20
R-L3	22605.81	654926.00	779800.60
RO 40-5966 (Methylmibefradil Metabolite)	51497.62	45597.70	46853.70
Romidepsin	306945.44	1.00	1.00
Rosmarinine	32190.75	1.00	1.00
Rosoxacin	1.00	1.00	33740.20
Rosuvastatin	40678.88	1.00	1.00
(R)-SLV 319	30981.88	1.00	1.00
(R)-SLV 319 Esi-0.822	86319.31	1.00	1.00
Rutaecarpine	962.94	8682.60	16640.10
Ryanodine	1.00	28531.30	1.00
(S1)-Methoxy-3-heptanethiol	41180.25	1.00	37296.30
(S)-(-)-2-Hydroxyisocaproic acid	2539674.00	1273208.60	2214535.50
(S)-(-)-2-Hydroxyisocaproic acid Esi-5.6432767	1528524.94	918559.30	1363690.80
(S)-2-Hydroxypropyl-CoM	23164.94	1.00	1.00
S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate	1960050.75	1692177.00	1299693.70
S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate Esi-0.78383...	1.00	1570810.20	50467.20
Saccharocin	272894.94	360231.70	414257.70
Sachaliside 2	37282.19	1.00	1.00
Salannin	224819.44	228818.40	293535.40
Salermide	17039.94	1.00	1.00
Salfredin B11	1.00	30292.00	1.00
Salfredin B11 Esi-7.3450003	1.00	32397.40	1.00
Salsalate	262361.69	92553.10	1.00
Sarcoaldesterol A	243796.56	1.00	1.00
Sarcodon scabrosus Depsipeptide	245948.50	1.00	174406.50
Sarcodon scabrosus Depsipeptide Esi-23.7713	215223.62	209434.10	1.00
Sarin	4472658.12	2425353.00	3422324.40
Sarin Esi-3.2379997	672916.94	1.00	1.00
Sarin Esi-3.2831213	1374997.12	2436830.80	3235695.40
Sarin Esi-5.404	1.00	1.00	133709.10
Sarmentoside B	19963.25	1.00	1.00
Sarpagine	22906250.38	1.00	1.00
Sarpagine Esi-19.119	15550000.69	1.00	1.00
SB 206553	36420.25	43232.00	48421.50
(S)-Batatic acid	1.00	29243.30	35826.80
SC-19220	110838.19	95563.10	106954.20
SC-19220 Esi-5.9678755	28036.56	28864.30	1.00
SC-19220 Esi-5.969728	48469.19	1.00	37869.80
Scarlet Red	323246.56	1.00	1.00
Scillipheosidin 3-[glucosyl-(1-2)-rhamnoside]	1.00	149450.60	1.00
Scriptaid	203610.25	1.00	52543.80
Scriptaid Esi-16.334997	39563.12	1.00	1.00
Scutianine F	27851.56	1.00	1.00
Se-Adenosylselenohomocysteine	307725.94	181774.80	111873.00
Secogalioside	33476.44	1.00	1.00
Secoisotetrandrine	59857.81	1.00	278008.20
Sedoheptulose 1-phosphate	18250.00	39593.70	42393.70
Senkirkine	1.00	1.00	278180.90
Ser Arg Lys	51504.19	77745.80	1.00
Ser Arg Thr	1036997.56	1412464.80	1491580.30
Ser His Asn	9450.44	1.00	1.00
Ser Leu Lys	467762.94	626947.10	555101.30
Sertraline Carbamic acid glucuronide	141869.50	1.00	1.00
Ser Val Gln	145124.06	165802.80	167686.00
Ser Val Gln Esi-12.19894	117826.44	99136.10	111451.20
Setarin	1.00	112521.10	1.00
S-ethyl N-[4-(trifluoromethyl)phenyl] Isothiourea	17839.94	41935.90	1.00
S-Furanopetasitin	1749217.25	2992845.10	2114581.70
Silafluofen	79257.06	1.00	457692.50
Sinapoylspermine	246706.88	124900.40	116080.90
Sinapoylspermine Esi-24.220377	51981.56	105631.20	1.00
Sisomicin	11736.56	1.00	26091.20
Slaframine	1.00	1.00	16740.90
(S)-Menthone 8-thioacetate	17692.81	34104.60	36284.60
S-Methyl benzenecarbothioate	642535.19	1.00	43783.00
S-Methyl butanethioate	223444.81	236752.70	196509.30
S-methylcaptopril	34286.19	1.00	1.00
S-methylcaptopril Esi-10.622001	1.00	1.00	51089.30
(S)-Mevalonic acid	65004.44	1.00	45890.10
sn-3-O-(geranylgeranyl)glycerol 1-phosphate	165392.12	130470.20	151340.30
sn-3-O-(geranylgeranyl)glycerol 1-phosphate Esi-11.946	1.00	152264.60	1.00
(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1-2)-b-D-glucopyrano...	30614.81	1.00	58189.50
(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1-4)-a-L-rhamnopyran...	53664.94	1.00	1.00
Somocystinamide A byproduct	1.00	162946.10	100404.50
Sparfloxacin	1.00	13238.10	1.00
S-(p-Azidophenacyl)glutathione	83024.31	1.00	102580.90
S-(p-Azidophenacyl)glutathione Esi-0.6489999	1.00	13007.50	17888.40
S-(p-Azidophenacyl)glutathione Esi-1.1509472	99041.06	21080.60	35729.40
Spergualin	935138.38	1.00	1160015.40
Sphingofungin A	16429.50	1.00	15123.20
Sphingofungin C	2798877.81	4335213.50	4205014.20
Sphingofungin C Esi-13.721	4225409.94	1.00	1.00
Sphingofungin F	115599.81	120867.80	107776.80
Spinacetin 3-gentiobioside	48241.88	109988.00	81143.00
Spinacoside D	289588.06	1.00	116884.30
Spinosyn K	262478.31	1.00	1.00
SQMG(0:0/16:1(13Z))	6068953.56	7863142.50	6802502.10
SQMG(0:0/16:1(13Z)) Esi-10.912001	1.00	69570.60	1.00
SQMG(0:0/16:1(13Z)) Esi-23.754251	2023931.31	1.00	5670019.60
SR 144528	178888.06	168089.40	136499.20
S-Ribosyl-L-homocysteine	114795.56	486591.50	260078.20
S-Ribosyl-L-homocysteine Esi-8.8359995	1.00	33948.70	1.00
SRT 1720	9014.44	1.00	1.00
Stearic acid	145839.38	51708.80	48090.40
Stigmatellin Y	1.00	221283.70	1.00
Streptidine	26602.44	1.00	1.00
Strophanthidin Semicarbazide	1073955.62	1084617.90	1336716.60
STS-135	726059.56	1.00	1782360.30
STS-135 Esi-12.87541	52712.69	88954.00	103635.20
STS-135 Esi-12.880999	1.00	67959.30	1.00
Succimer	1.00	1.00	89866.90
Succinylsulfathiazole	1.00	1.00	45407.30
Sudan III	223684.50	143209.10	163249.50
Sulfadiazine	70626.69	1.00	151100.40
Sulfamethoxazole	100124.75	84294.20	91215.00
Sulfamethoxazole Esi-5.9703155	33472.25	1.00	36299.10
Sulfamethoxazole N4-hydroxylamine	46217.38	27454.70	25710.50
Sulfanilamide	2326969.06	1645021.20	1398805.60
Sulfaphenazole	48701.06	1.00	54241.50
Sulfaphenazole Esi-9.083626	24240.69	67087.30	1.00
Sulindac glucuronide	76681.31	1.00	1.00
Suprofen Methyl Ester	47829.00	1.00	1.00
Suprofen Methyl Ester Esi-0.952	1.00	37282.60	1.00
Syringolin A	8104.75	1.00	1.00
T2 Triol	95334.69	106416.20	1.00
Taccalonolide A	1.00	1.00	64727.30
Tafluprost ethyl amide	1.00	1.00	20684.60
Talampicillin	48746.88	1.00	1.00
talinolol	27698.38	45644.90	31742.10
Tartronate semialdehyde	143267.75	1.00	1.00
Taurine	5977825.81	8791525.60	4285814.60
Taurolithocholic acid 3-glucuronide	967100.44	829464.40	987218.00
Taxinine M	67148.50	100534.60	1.00
Taxinine M Esi-14.386	85808.06	1.00	1.00
Tazarotene	24427.31	50636.00	55848.20
Tebuconazole Esi-15.687523	9789.06	47598.10	46954.80
Telaprevir	160471.12	1.00	1.00
Telbivudine	282142.88	225019.30	319409.50
Tenitramine	1.00	150353.00	1.00
Tephrodin	124506.62	117456.20	97727.80
Tephrowatsin B	1881854.69	1428287.70	1.00
Tephrowatsin B Esi-19.386663	1.00	12260000.50	22620000.30
Tepraloxydim	1.00	259883.10	352527.30
Tepraloxydim Esi-15.352	1.00	1224179.60	1.00
Teprotide	1.00	1.00	143205.60
Teprotide Esi-13.982501	90158.50	272380.90	1.00
Terbutaline-1-sulfate	3523.81	1.00	1.00
Termitomycamide B Esi-17.445	1.00	1.00	19579.30
Testosterone glucuronide	1.00	1.00	26768.90
Testosterone sulfate Esi-17.807304	247911.94	312001.80	589029.30
Testosterone sulfate Esi-18.706919	211896.00	611346.00	649263.60
Tetrachlorobisphenol A	72874.31	124214.70	86640.90
Tetracosanedioic acid	1.00	21866.60	1.00
Tetradecyl sulfate	167023.50	310415.80	368524.40
Tetragastrin	125000.81	1.00	1.00
Tetrahydrocorticosterone	198591.19	1.00	1.00
Tetrahydrocortisol	151338.69	207526.10	1.00
Tetrahydrocortisol Esi-17.296581	53497.81	1.00	245195.30
Tetrahydrocortisol Esi-17.851997	86645.31	1.00	251401.00
Tetrahydrocortisone	151284.00	190556.00	182725.40
Tetrahydrocortisone Esi-14.0164995	1.00	42307.50	43165.20
Tetranor-PGEM	197336.50	1.00	1.00
TG(12:0/12:0/20:1(11Z))[iso3]	187315.19	1.00	136424.20
TG(12:0/14:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	1.00	1.00	2737.50
TG(12:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	232659.38	1.00	1.00
TG(13:0/13:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	46029.94	1.00	47279.30
TG(15:0/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6]	1.00	1.00	17624.40
TG(15:1(9Z)/17:0/19:1(9Z))[iso6]	1.00	1.00	372883.30
TG(16:1(9Z)/16:1(9Z)/16:1(9Z)) Esi-19.088	65174.56	1.00	1.00
TG(17:0/17:1(9Z)/19:1(9Z))[iso6]	66481.38	79026.30	1.00
TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3]	105526.75	1.00	118760.30
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14...	9155.38	41316.90	1.00
TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10...	115783.69	76628.40	1.00
TG(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,1...	316849.19	1.00	1.00
Thalicsessine	278143.25	243455.80	264545.70
Thalicsessine Esi-15.215	1.00	1.00	95902.00
Thalidasine	586228.31	583768.30	557038.50
Thamnosin	26791.56	1.00	1.00
Theasapogenol A	1.00	1.00	24246.80
Thenylchlor	108690.19	119495.20	1.00
Thermobiszeaxanthin-13-13	31492.56	1.00	1.00
Thermobiszeaxanthin-13-13 Esi-16.32	34303.75	1.00	1.00
Thermobiszeaxanthin-13-15/ Zeaxanthin diglucoside diester	100798.06	1.00	1.00
Thermocryptoxanthin-15	22077.44	31938.50	1.00
Thevetiaflavone	48952.44	1.00	34619.10
Thienodolin	1.00	28634.60	1.00
Thiethylperazine	140165.06	25373.30	1.00
Thiocysteine	4188047.69	3558146.30	2735067.60
Thiolanilide	131702.25	94513.50	68930.00
Thiolanilide Esi-5.746	1.00	1.00	240359.90
Thioperamide	1.00	1.00	9701.90
Thioproperazine	253579.00	199077.70	150769.00
Thioridazine 2,5-disulfone	1.00	11023.60	1.00
Thiotepa	1.00	1.00	10356.10
Thio-THIP	90305.38	1.00	1.00
Thonningianin B	1.00	1.00	1748.40
Threoninyl-Aspartate	377617.69	592119.10	804752.20
Thr Glu Leu	33446.00	44698.50	47197.10
Thr Glu Leu Esi-14.047	17370.44	1.00	1.00
Thr His Ile	33003.81	87953.20	79491.20
Thr Ile Lys	29516.06	1.00	1.00
Thr Ile Lys Esi-9.086999	98655.38	1.00	222605.10
Thr Ile Thr	97653.56	77192.10	53006.90
Thr Lys Arg	1.00	1.00	29538.10
Thr Lys Ser	1.00	1887287.20	1855573.10
Thr Met Tyr	48366.69	56890.80	1.00
Thr-Phe4Cl-OH	113542.44	130450.20	131962.60
Thr Thr Lys	155659.44	186119.30	178419.60
Thr Thr Lys Esi-8.5778	1.00	24748.70	10137.50
Tiamulin	1631583.12	1789434.40	1894476.90
Tiamulin Esi-13.737598	6012500.69	20390000.00	19210000.00
Tiamulin Esi-14.037498	740957.88	1.00	206713.90
Tiaprost	68162.12	222876.90	33371.00
Tifluadom	93205.38	1.00	1.00
Tifluadom Esi-15.295278	228784.31	251817.00	250086.80
Tigecycline	57211.31	1.00	42857.20
Tigecycline Esi-11.782	1.00	5857.40	1.00
Tigecycline Esi-13.508001	1.00	1.00	81355.70
tiracizine	14038.69	1.00	1.00
Tirandamycin	16747.31	1.00	16529.10
Tirandamycin Esi-0.97316676	27595.12	16854.80	1.00
Tirofiban	25617.94	1.00	1.00
tiropramide	4099911.94	4119615.60	4100450.10
tiropramide Esi-12.845888	502600.62	462620.40	592913.90
TOFA	1.00	109653.70	113169.70
Tofisopam	2026887.94	422046.60	2705177.50
Tofisopam Esi-13.701998	1.00	1.00	258377.30
Tolnaftate	69874.12	53599.30	45388.50
Tomentolide A	1.00	36894.50	1.00
Torososide B	11314.44	20594.80	1.00
(-)-Tortuosamine	182113.19	1.00	1.00
(-)-Tortuosamine Esi-19.124285	125263.69	1.00	1.00
Tos-Ph-CH2Cl	1372026.81	615049.90	989110.10
Trabectedin	241364.94	189456.60	175200.80
Tragopogonsaponin J	20713.88	1.00	1.00
Tragopogonsaponin K	39972.75	1.00	1.00
Tragopogonsaponin R	1.00	146165.00	1.00
Trandolapril lactam (RU 46178)	33095.00	1.00	66345.80
trans-2-Enoyl-OPC8-CoA	1.00	42893.90	1.00
trans-Resveratrol 4^-sulfate	21651.56	61468.40	61117.90
trans-Resveratrol-d4	86725.06	1.00	122733.70
Treosulfan	529712.81	1.00	1.00
Triacontanedioic acid	6074.56	1.00	4721.70
Tributyltin oxide	1.00	1.00	179845.70
Trichlormethine	31875.94	1.00	1.00
Tricin 7-glucuronoside	154831.25	56828.60	37703.00
Trifluoperazine	1.00	87147.20	81267.20
trifluoroacetic acid	20743750.00	20280000.00	21690000.00
trifluoroacetic acid Esi-18.394539	4032365.88	3882073.00	1.00
trifluoroacetic acid Esi-19.114279	4243586.19	1.00	1487876.60
trifluoroacetic acid Esi-19.372849	4802378.38	1803255.00	1610780.20
trifluoroacetic acid Esi-23.755394	321730.56	412812.20	397841.50
Trigoneoside XIIIa	1.00	1.00	214569.70
Trihomomethionine	99381.88	112078.40	102559.70
Trilauroyl-glycerol	216114.38	294232.90	263163.20
TRIM	933626.56	1.00	548722.50
Trimethadione	337854.94	170543.10	275491.70
Trimethobenzamide	54944.94	1.00	1.00
Tris(2-methyl-1-aziridinyl)phosphine oxide	49863.69	1.00	95468.30
Tris(2-methyl-1-aziridinyl)phosphine oxide Esi-6.0872593	27170.38	27183.50	43272.80
Tris(butoxyethyl)phosphate	234458.75	99846.00	69177.30
Tris(butoxyethyl)phosphate Esi-18.691	1.00	1.00	64115.40
Tris(butoxyethyl)phosphate Esi-18.802755	72010.00	294938.30	252962.90
Troglitazone quinone	16564.38	1.00	1.00
Troxilin B3	26145.38	1.00	44691.60
Trp Gln Ile	64818.31	132546.50	126427.10
Trp Ile Lys	12458.25	1.00	15768.40
Trp-Met-OH	85052.88	1.00	1.00
Trp-Met-OH Esi-6.704	1.00	6338.20	1.00
Trp Phe Val	108181.25	1.00	1.00
Trp Pro Asp	12494.06	1.00	47727.10
Trp Pro Thr	150751.12	236282.50	223840.50
Trp Trp Lys	2423.44	1.00	1.00
Trp Val Trp	219415.56	228098.80	230361.40
Trypanothione	280451.62	241866.20	248053.80
Trypanothione Esi-14.371003	180853.38	305747.40	599678.60
Tryptophyl-Alanine	33351.50	23994.30	26962.70
Tryptophyl-Histidine	1.00	1.00	140215.40
Tryptophyl-Threonine	30121.19	20754.80	38015.30
Tsangane L 3-glucoside	94293.38	1.00	1.00
tuberculosinyl diphosphate	72329.06	1.00	37587.00
Tubulosine	309551.31	353817.40	368893.80
Tubulosine Esi-11.133	8111.12	1.00	1.00
Tubulosine Esi-11.408	14494.50	15423.80	1.00
Tubulosine Esi-13.154001	29121.94	1.00	1.00
Tubulosine Esi-13.165218	156057.00	204624.70	217400.90
Tumonoic Acid I	14175000.38	1.00	20340000.00
Tumonoic Acid I Esi-14.567999	5397221.38	1.00	1.00
Typhasterol	171121.75	1.00	137610.70
Tyr Gln Tyr	266925.88	75498.80	84065.00
Tyr Leu Tyr	24123.19	1.00	1.00
TyrMe-Asp-OH	392150.81	409661.90	405724.40
TyrMe-Ile-OH	1.00	32095.20	77567.30
TyrMe-Ile-OH Esi-15.085	1.00	36732.00	1.00
TyrMe-Lys-OH	112445.88	158080.50	135464.40
Tyrosyl-Cysteine	6934.69	1.00	1.00
Tyrosyl-Cysteine Esi-1.2598001	10826.50	1.00	27822.70
Tyrosyl-Tyrosine	157957.06	190722.50	105409.90
Tyr-Trp-OH	193239.38	26201.90	1.00
Tyr-Tyr-OH	25951.12	1.00	37110.90
Tyr Val Ile	1.00	70457.70	58538.70
U50488	39586.25	32521.40	30901.20
U-51605	37192.50	1.00	37657.30
UDP-N-acetyl-D-galactosaminuronic acid	1353079.38	1.00	1.00
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine...	17869.50	1.00	1.00
Uniconazole P	1.00	15061.70	19423.60
Uracil 5-carboxylate	46888.69	1045045.60	1.00
Uric acid	3952469.38	6086471.90	6169293.30
Uroporphyrinogen I	64991.81	1.00	1.00
Ustilagic acid	132909.81	154917.00	146747.70
Ustiloxin B	320947.19	395277.40	445883.20
Ustiloxin B Esi-14.060002	291256.94	1.00	1.00
Uzarigenin 3-[xylosyl-(1-2)-rhamnoside]	1641290.19	1.00	1.00
Vaccinoside	180614.31	26484.20	1.00
Valdiate	399879.75	414550.80	396534.20
Valeracetate	34909.50	36842.10	44829.90
Val His Ser	1.00	1.00	19600.50
Val Leu His	321250.50	225077.90	248352.90
Val Lys Ser	35068.19	69249.40	56818.00
Val Lys Ser Esi-10.02	1.00	1.00	54315.90
Val-Nap-OH	128999.31	1.00	1.00
Val-Nap-OH Esi-17.973	38712.75	1.00	1.00
Valnemulin	269895.12	146141.60	191797.20
Valnemulin Esi-23.809002	1.00	1.00	36424.50
Val Phe Phe	33722.88	1.00	1.00
Val Phe Phe Esi-13.027	24951.06	1.00	1.00
Val Phe Val	53746.69	138655.90	101916.70
Val Phe Val Esi-8.57	1.00	1.00	27125.20
Valyl-Arginine	8054.25	1.00	24658.00
Valyl-Methionine	27432.88	29583.30	30426.50
Vanillin 3-(L-menthoxy)propane-1,2-diol acetal	225029.00	38368.70	1.00
Velcorin	126538.06	1.00	1.00
Vemurafenib	117014.31	163804.20	165206.80
Verbascose	165148.12	177582.80	173021.40
Verteporfin	424540.62	1.00	1.00
Verteporfin Esi-13.946576	355532.31	328518.40	386421.80
Vibriobactin	296301.44	1.00	1.00
Vinaginsenoside R4	1.00	1.00	155891.20
Vomicine	21931250.25	1.00	1.00
Vomifoliol 9-[glucosyl-(1-4)-xylosyl-(1-6)-glucoside]	45634.69	1.00	1.00
W123	365845.62	425845.20	413884.30
Wanepimedoside A	318977.81	248189.00	390764.50
(?-WIN 55,212	1.00	13974.20	1.00
WIN I(S)	170334.38	160845.70	1.00
Withaperuvin E	5827.81	12154.60	1.00
Wortmannin-Rapamycin Conjugate	95669.12	81713.20	126097.20
Xamoterol	50518.88	1.00	1.00
XDP	53582.44	165961.90	1.00
XE991	40751.44	107746.20	1.00
xi-3-Hydroxy-2-oxobutanoic acid	856143.62	1.00	1089836.20
xi-3-Hydroxy-2-oxobutanoic acid Esi-1.0062224	327410.69	325854.50	386859.80
xi-3-Hydroxy-2-oxobutanoic acid Esi-22.020666	36915.00	1.00	15409.50
Ximelagatran	66959.75	70724.30	1.00
Ximenoylacetone	51368.69	1.00	1.00
Yellow AB	76174.44	92425.50	81670.30
(Z)-22-Hentriacontene-2,4-dione	36387.56	1.00	15214.10
(Z)-2-Decene-4,6,8-triyn-1-ol	168674.25	176621.30	166946.20
(Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone	1.00	110797.50	140139.00
Zapotidine	169077.62	141501.50	1.00
Zaprinast	55991.75	40787.20	50620.60
Z-Arg-Arg-NHMec	5213947.38	5438292.50	4837341.00
Z-Arg-Arg-NHMec Esi-13.979152	863504.19	999424.80	1.00
Z-Arg-Arg-NHMec Esi-14.280999	1764657.56	1.00	1.00
Zierin	1.00	1.00	25299.60
Zierin Esi-5.62	1.00	1.00	5628.60
Zinc protoporphyrin-9	106100.75	122946.70	92952.30
ZM 447439	454143.31	1.00	430364.50
ZM 447439 Esi-14.045169	530763.56	650032.00	579425.00
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide	315136.19	1.00	503052.70
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide Esi-0.829	1.00	1.00	499561.70
Zomepirac	165713.38	1.00	1.00
Zuclopenthixol	1.00	60911.00	69880.70
Zuclopenthixol glucuronide	83769.75	1.00	46824.20
Zygadenine	269021.06	301019.20	1.00
Zymonic acid	1.00	1031527.90	859815.00

Factors:

F1	Sample source:Mouse blood \| treatment:Ethanol
F2	Sample source:Mouse blood \| treatment:Ethanol+Honey
F3	Sample source:Mouse blood \| treatment:Ethanol+Sugar