Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST004138

(Analysis AN006860): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structure	F1	F2	F3
¶¥-Aminobutyric acid (GABA)	53385170.12	38372569.24	43452965.95
¶¥-L-Glutamyl-L-glutamic acid	8945068.38	7105862.52	13156373.20
10b-methyl-1,5,6,10b-tetrahydroimidazo[2,1-a]isoquinolin-2(3...	4524328.46	670920.78	1826331.92
10-Undecenoic acid	20981233.09	21283487.04	6753173.34
(+/-)11(12)-DiHET	3013107.93	2915319.96	2801897.97
11-Deoxy prostaglandin F1¶¡	5797518.73	5574078.81	5609000.05
11-Deoxy prostaglandin F1¶¬	6885998.39	3966566.62	4362658.07
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid	2638482.63	3587953.22	3079817.30
11-Epiprostaglandin E1	69401547.43	8920544.12	7333997.75
11-Ketoetiocholanolone	1855302.45	3652773.52	7229859.69
11(Z),14(Z),17(Z)-Eicosatrienoic acid	1066467.50	741459.52	2251062.94
(+/-)12(13)-DiHOME	484436877.14	81143008.43	29802332.71
1,2,3,9-tetrahydro-4H-carbazol-4-one oxime	1440937.87	768240.18	1547222.44
1,2-di(3,4-dimethoxyphenyl)diaz-1-ene	35618009.78	33824149.83	23931250.14
1,2-dihydroxyheptadec-16-yn-4-yl acetate	2402071.64	2586685.14	2572336.58
1-(2-furyl)pentane-1,4-dione	2060398.53	1637704.69	1527577.37
12-Oxo phytodienoic acid	18894149.04	23373856.26	11866278.53
1-(2-pyridin-2-yldiazenyl)-2-naphthol	1157392.77	29157764.55	1433030.82
(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid	9518835.68	8962695.55	8651974.32
1-(3,4-dimethoxyphenyl)ethan-1-one oxime	3604977.18	4466119.24	2541211.67
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine	6874128.68	6040248.82	3719840.06
(°¿)13-HpODE	7022514.49	4417339.24	17911649.26
13-HPODE	3359150.29	2967754.54	2635843.11
1-[(3S)-3-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-phenoxye...	1700707.75	1225141.35	1523363.86
1-[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]-3-methoxy-1-...	6129459.11	3521441.48	4038984.50
13(S)-HOTrE	20669208.55	24523268.19	11656602.00
1-(4-benzylpiperazino)-2-(pyridin-2-ylamino)propan-1-one	2977265.08	3328262.57	858896.94
1-(4-bromophenyl)-2-phenylethan-1-one	6238981.39	6337973.71	6096737.26
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazu...	2987596.26	3429788.10	2373637.57
1,4-dihydroxyheptadec-16-en-2-yl acetate	3702907.93	5633366.41	1824179.40
1-(4-fluorophenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]pipe...	2218497.83	1667786.97	1285140.54
1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one	4277459.33	4092119.25	4784043.97
1-(4-Methoxyphenyl)-2-propanone	4936810.87	6976097.86	3237722.64
1-(4-methylphenyl)-3-(2-pyridylthio)pyrrolidine-2,5-dione	328015.39	4290111.27	514514.96
1-(4-methylphenyl)-3,5-diphenylpent-2-ene-1,5-dione	69902231.09	40127462.36	43187919.46
1-[5-(2-phenyleth-1-ynyl)-2-thienyl]ethan-1-one oxime	881385.90	775975.51	1687696.47
1-(5,7-dichloro-2,3,4,4a-tetrahydro-1H-xanthen-4-yl)pyrrolid...	2713822.35	956380.97	1804298.77
15-Acetyldeoxynivalenol	1480332.90	1321545.25	8754481.04
15-Deoxy-¶§12,14-prostaglandin A1	54299042.08	23066098.64	4199860.33
15-Deoxy-¶§12,14-prostaglandin J2-2-glycerol ester	722941.61	1307625.85	658728.33
15-epi Cloprostenol	806150.76	614146.48	1546789.54
16,16-Dimethyl prostaglandin A1	12625957.26	13316250.46	12743944.36
16-Heptadecyne-1,2,4-triol	6861949.11	14603613.69	3956320.82
16¶¡-Hydroxydehydroepiandrosterone	5047950.45	7293761.04	5150533.75
1-(6-methyl-3-pyridyl)ethan-1-one O1-ethyloxime hydrochlorid...	1012312.40	607354.84	584465.87
16(R)-HETE	2446245.42	2306726.35	2650789.01
17-AAG	4613570.17	1507069.43	1245784.01
17alpha-Ethinyl estradiol	4718426.46	4126919.66	4111633.85
1,7-bis(3,4-dihydroxyphenyl)heptan-3-one	4375113.62	3568401.77	3358988.36
1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one	1045518.54	196872.26	278678.97
1,8-Diazabicyclo [5.4.0]undec-7-ene	3726565.84	1096322.81	1336047.99
19-Nortestosterone	6214187.00	3210890.86	3008806.99
19(R)-hydroxy Prostaglandin E2	2435427.83	2147923.37	690607.66
1-adamantyl(piperidino)methanone	1865768.68	1521235.67	1208181.15
1-Aminocyclohexanecarboxylic acid	29264386.85	18942905.06	25484464.91
1-benzyl-4-(4-nitrophenyl)piperazine	799106.69	9578618.24	1226188.72
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one	1649554.50	1851155.10	1686646.53
(1E)-5-hydroxy-1,7-diphenylhept-1-en-3-one	3038869.17	1837773.77	1701749.58
1H-indol-3-yl(pyridin-2-yl)methanol	707300.92	4892043.99	2693903.63
1-Methylhistidine	1173644.71	1174638.01	810108.17
1-Methylxanthine	21163070.91	17560458.19	9922494.79
1-morpholino-3-(4-nitrophenoxy)propan-2-ol	14521670.81	23640452.72	29797074.74
1-Naphthol	3838533.52	1348199.79	2343435.54
1-Palmitoylglycerol	2973238258.98	3173351872.54	3982852508.30
1-Palmitoyl-Sn-Glycero-3-Phosphocholine	357191751.37	188402669.74	240111466.49
1-Phenyl-3-methyl-5-pyrazolone	3350264.78	2566907.64	2431480.20
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine	9630022.70	3965245.13	6053894.93
(1R,2S,3R,4R)-3-(Isobutylamino)-4-(3-pyridinyl)-1,2-cyclopen...	1002748.31	777468.61	1874556.16
1-Stearoylglycerol	4424484889.69	3973987259.46	4541140841.00
20-Carboxy-Leukotriene B4	683573.52	955577.52	564199.25
2-(14,15-Epoxyeicosatrienoyl) glycerol	412531.68	460071.44	1223736.72
2-(1H-benzimidazol-2-yl)-N-[4-(benzyloxy)phenyl]benzamide	2443579.85	2014176.93	3158465.71
2-(1H-indol-3-yl)acetic acid	7621337.17	3951558.13	3191117.60
2-{2-[(1-methyl-1H-pyrazol-5-yl)amino]-2-oxoethoxy}acetic ac...	2455984.21	1650838.82	1335215.56
2-[2-(2-pyridyloxy)ethoxy]pyridine	1875238.00	1332623.50	2629878.91
2-{[2-(3-cyano-2-pyridinyl)hydrazino]carbonyl}benzoic acid	122333.05	2048091.69	825589.61
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one	6129563.90	8039913.85	2675251.84
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid	108654265.83	134737803.49	139015793.23
2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile	730400.12	603715.83	2877285.19
2,2-dimethyl-6,7-di[(4-nitrobenzyl)oxy]chroman-4-one	480815.17	419496.03	1580972.15
2-(2-hydroxy-3-methylbutanamido)-4-methylpentanoic acid	4109122.10	7551173.41	4499154.01
2-(2-hydroxyphenyl)-3,4-dihydroquinazolin-4-one	14346195.18	6347315.21	6708895.13
2-(2-oxo-2-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}ethoxy)ac...	3349024.16	1971163.24	4016265.15
2-[2-oxo-2-(2-pyridylamino)ethoxy]acetic acid	1857120.73	2699239.19	2387383.05
22(S)-Hydroxycholesterol	3318913.32	1989155.05	2121393.05
2,3,5,6-Tetramethylpyrazine	39053235.43	1779809.64	2229885.24
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid	8609261.69	6854662.08	4687671.25
2,3-Dihydroxybenzoic acid	1864172.53	1716238.63	1083924.63
2,3-dihydroxypropyl 12-methyltridecanoate	74988298.42	84457578.86	55765815.03
2,3-Dinor-11¶¬-prostaglandin F2¶¡	2266728.00	2173460.36	1998674.09
2,3-Dinor-TXB2	2759524.09	2815802.15	3988657.18
2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolan-5-yl]acetic ...	596346.73	1451804.25	98252.28
23-Nordeoxycholic acid	2019481.26	1984728.30	1524284.35
2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1H-benzimidaz...	1615461.41	1719304.32	883185.55
2-[(3S)-1-(4-Chlorobenzyl)-3-pyrrolidinyl]-1-methyl-1H-benzi...	1450489.20	1827736.13	1433337.60
2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole	10953977.34	18815759.60	10504140.50
2-(3-thienylcarbonyl)-3-(3,4,5-trimethoxyphenyl)acrylonitril...	547910.12	787371.43	535704.68
2-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}isoindoline...	1929261.80	1019066.73	1903757.79
2,4-Dihydroxybenzoic acid	9173166.28	10921445.80	3418363.51
2,4-dihydroxyheptadec-16-en-1-yl acetate	3203950.35	2432956.40	2181177.54
2,4-Dimethylbenzaldehyde	2545415.19	1796001.08	1746173.67
2-[4-(methylsulfonimidoyl)phenoxy]-5-nitropyridine	6153766.91	3356506.69	632524.19
2-{4-[(trifluoromethyl)thio]phenoxy}ethanohydrazide	4042369.59	891605.42	1853306.55
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid	13494927.60	2585445.60	1926789.57
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic aci...	484417.71	150855.93	884582.21
2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol	5822159.12	1312058.54	7822953.86
2,6-Di-tert-butyl-1,4-benzoquinone	19469408.16	23839933.27	16520243.81
2,6-Xylidine	46261661.49	8623381.45	12569039.62
2,7,7-trimethyl-5,6,7,8-tetrahydroquinolin-5-one oxime	2970404.23	603234.47	552937.21
2-acetamido-3-(4-methoxyphenyl)propanoic acid	6449772.46	4317934.63	3224222.84
2-Amino-1,3,4-octadecanetriol	15086268.74	11078466.31	2908267.46
2-Amino-1,3-octadecanediol	96976567.80	63580700.94	21457380.37
2-Aminoadipic acid	16563378.74	17681408.14	11762638.68
2-Aminopimelic acid	39144690.62	28862000.68	35679156.78
2-Arachidonoyl glycerol	10135709.42	4473163.92	6745029.56
2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazol...	6990136.99	2227491.43	5484224.60
2-(carboxymethoxy)-4-methoxybenzoic acid	836452.77	520418.29	583450.65
2-[(carboxymethyl)(methyl)amino]-5-methoxybenzoic acid	9796787.78	11054613.52	13349933.09
2-chloro-6-{4-[(4-hydroxypiperidino)sulfonyl]phenoxy}benzoni...	3303124.71	1036457.19	2156284.84
2-chloro-N-[4-(4-methylpiperazino)phenyl]benzamide	800806.46	1118781.69	1017499.02
2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid	1240470.06	749839.71	630024.08
2-cyano-N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)benzenesulfon...	2120874.28	3221615.48	3719284.98
2-(cyclopropylimino)-3-(2-thienylmethyl)-1,3-thiazolan-4-one	166538.26	179163.65	345550.15
2^-Deoxyadenosine	9214057.05	3964595.63	1321407.96
2-Deoxyuridine	36950912.60	27888763.66	46749106.31
2-((Dimethylamino)methyl)phenol	2589662.29	4207232.58	2118125.59
(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid	3843871.38	1303385.57	2021059.07
(2E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide	3036795.95	1449866.91	1905887.73
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide	32305078.35	29310054.04	29366260.99
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide	673496.48	771519.60	3545289.66
2-hydroxy-3,6-diphenylcyclohexyl acetate	454846.09	680051.54	486355.85
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic a...	16269219.56	3140170.26	4467605.15
2-Hydroxycinnamic acid	1012923187.12	716655102.12	1160845083.24
2-Hydroxyhippuric acid	1477843.36	1040162.07	802542.34
2-Hydroxyphenylalanine	29183118.01	8449866.79	6431479.33
2-Linoleoyl glycerol	3067920.32	1019246.47	913974.07
2-Methoxyestradiol (2-MeOE2)	3967933.38	2045575.34	2078230.23
2-Methoxyresorcinol	178604295.03	188583152.59	179505941.73
2-methyl-1,2-dihydrophthalazin-1-one	1341869.92	886618.78	859148.86
2-{[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene}mal...	8179473.59	9454292.57	6993435.34
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one	7591515.00	4217244.89	4178404.96
2-Methylbutyl beta-D-glucopyranoside	768563.17	367527.14	379836.76
2-Methylbutyroylcarnitine	3836843.16	4833852.73	1611903.69
2-Methylpentanedioic acid	14703786.23	13914320.87	12910413.35
2-morpholino-1-phenyl-1-ethanol	10425357.70	13350026.19	9075236.50
2-oxa-4-azatetracyclo[6.3.1.1~6,10~.0~1,5~]tridecan-3-one	14079830.74	8771693.68	4863149.99
2-Oxindole	44617026.35	53469652.16	48085659.76
2-oxopiperidine-3-carbohydrazide	8232558.47	5024538.45	8139476.02
2-phenyl-4H-furo[2,3-h]chromen-4-one	2470795.56	1910655.54	6919521.39
2-Phenylacetamide	22156411.33	19722899.02	18797099.23
2-Phenylbenzimidazole	1867119.10	314162.87	301235.98
2-Phenylglycine	2381469.59	1445069.05	2473234.98
2-piperidinobenzoic acid	2573736.06	1055956.20	903497.04
2-Pyridylacetic acid	3773514.63	3003266.80	3066328.69
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic...	6534789.46	10315032.59	5924957.32
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3...	825327.78	572302.77	603860.42
(2S)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-...	3968199.44	1503764.95	2806483.79
2-Styryl-1,3-benzoxazole	2898110.43	1778831.16	2958126.70
2-(tert-butyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one	1186789.08	1067122.67	1527662.95
2-Thio-acetyl MAGE	23176405.78	9202712.59	19303730.95
3,14-dihydro-15-keto-tetranor Prostaglandin E2	2638926.03	3343611.55	2051968.47
3-(1-benzylpiperidin-4-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine	1336129.61	786603.12	832683.89
3-[1-(dimethylamino)-1H-pyrrol-2-yl]-2-(2-furylcarbonyl)acry...	492977.52	397976.71	240652.36
3-(1H-benzo[d]imidazol-2-yl)-6-ethyl-7-hydroxy-4H-chromen-4-...	1392697.12	760546.84	1334484.51
3-[2-(2-pyridyl)ethyl]-2-thioxoimidazolidin-4-one	1784103.66	702526.12	617764.59
3-(2-Hydroxyethyl)indole	14864755.40	11329788.60	3259528.91
3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	1035386.94	1037131.33	1059890.35
3-(2-Naphthyl)-D-Alanine	1352373.24	847334.59	781815.99
3,3,5-trimethyl-3H,11H-pyrano[3,2-a]carbazole	228607.77	549215.70	234623.42
3-(3-pyridinyl)propanoic acid	8301955.54	6827886.19	6618626.10
3^,4^-Dihydroxyphenylacetone	2832412.01	1656715.14	1961764.46
3-(4-ethoxyphenyl)-2-(tetrahydro-1H-pyrrol-1-ylcarbonyl)acry...	1992143.02	766860.40	893731.79
3-(4-hydroxy-3-methoxyphenyl)propanoic acid	1583430.42	1817604.70	1065484.43
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-...	7770655.53	6551439.32	3805522.56
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic a...	5425126.95	9582877.02	7716898.19
3-(4-pyridylmethylidene)chroman-4-one	1808498.50	832981.56	1685773.50
3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one	14339981.56	12746557.39	12887723.39
3^,5,7-Trihydroxy-4^-methoxyflavanone	20662608.45	8760524.86	3883041.44
3-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-1-methyl-1H-pyraz...	532814.60	930485.58	478254.17
3-(5-phenyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)pyridine	1309927.36	524012.13	3555551.09
3-Acetoxyurs-12-en-23-oic acid	7633679.01	14303767.05	8407003.88
3-Acetyl-11-keto-¶¬-boswellic acid	3689280.10	2598359.66	2612989.47
3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione	12722194.12	16207856.98	11875470.38
(3beta,9xi)-3-(beta-D-Glucopyranosyloxy)-14-hydroxycard-20(2...	1065361.54	2711778.83	882979.30
3-(dimethylamino)-1-(5-methyl-3-phenyl-4-isoxazolyl)-2-prope...	2436037.27	1060932.11	1486140.09
3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one	1704168.93	1519619.87	911286.04
3-hydroxy-1,5-diphenylpentan-1-one	4058580.91	3417496.29	2737445.27
3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile	800509.51	790228.42	312262.27
3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile	1621625.43	1032414.38	1075899.80
3-hydroxy-3-methylpentanedioic acid	11425006.05	3540704.07	23734850.06
3-Hydroxylidocaine	7805766.60	1575181.25	1473978.74
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhe...	2432357.84	1444461.37	1497343.67
3-Hydroxypicolinic acid	10458379.78	6654538.62	5672400.86
3^-Hydroxystanozolol	792381.48	388850.61	347789.33
3-Indoleacrylic acid	33127169.69	31695193.16	30601876.28
3-Methoxybenzaldehyde	3915772.20	4657066.76	2824673.18
3-Methoxycinnamic acid	2016489.09	1509207.92	1912494.45
3-Methoxytyramine	5025454.37	4701551.67	4533111.47
3-methyl-5-phenylpyridazine	4868791.49	3194985.91	3390007.23
3-Methylcrotonylglycine	20546090.99	19279265.82	17901661.07
3-Methylindole	2141681.41	1732202.59	1832935.02
3-pentadecyl-4,5,6,7-tetrahydrobenzo[d]isoxazol-4-one oxime	1863148.26	3774308.27	2051067.32
(3S,9aS)-3-benzyl-octahydro-1H-pyrido[1,2-a]pyrazin-1-one	8905179.99	19306078.33	4261584.05
4-(1H-pyrazol-1-yl)-N,N-bis(2-pyridinylmethyl)benzenesulfona...	9280737.92	587676.44	16241352.62
4-{2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl}benzonitrile	35498499.85	28411031.45	27564467.46
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid	1916337.06	1407648.55	1636173.00
4-{3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl}benzene-1,2...	751079.00	677111.03	560500.23
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic...	1159947.10	798367.47	603671.33
4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine	1544923.39	1657288.03	1511622.73
4-(3,4-dimethylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one	13341285.16	5773266.34	2485687.90
4-(4-methoxyphenyl)-2-(methylthio)pyrimidine	9511893.14	5576153.29	2072808.66
4-(5-propyl-2-pyridyl)benzonitrile	5286195.94	9947710.89	3753627.20
4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile	50421550.75	40526307.84	24555971.20
4-Acetamidobutyric Acid	11633532.71	10768872.55	13630960.52
4-(allyloxy)-1,2-dihydroquinolin-2-one	4996771.57	2944871.20	2421193.35
4-(benzoylamino)-3-hydroxybutanoic acid	16433056.78	16145902.10	4950623.49
4-chloro-5-morpholino-2-quinoxalin-2-ylpyridazin-3(2H)-one	545579.77	871245.07	603478.83
4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-on...	3477472.38	6425954.72	5663618.58
4-Deacetylneosolaniol	2217122.97	3265598.79	2562134.27
4-(Diethylamino)salicylaldehyde	2712872.93	1572398.35	1696149.84
4-Guanidinobutanoic acid	3136849.56	1248871.06	3161372.57
4-Guanidinobutyric acid	5784240.15	2688870.23	5127459.18
4-Hexyloxyaniline	2891039.25	2894817.80	339803.76
4-hydroxy-5,8-dimethylquinoline-3-carboxylic acid	1428236.28	902784.48	2392709.99
4-Hydroxybenzaldehyde	153563995.98	126718267.58	173042790.11
4-Hydroxyindole	5233631.37	3711317.66	2806821.41
4-Hydroxypropranolol	2312451.92	1096465.20	967456.72
4-Hydroxyquinoline	743282.90	515605.42	898367.60
4-Hydroxyretinoic Acid	79311845.01	87147942.83	86186793.78
4^-Methoxyacetophenone	4969314.71	2945389.80	2671204.93
4-Methoxybenzaldehyde	16754893.63	14151434.85	13468027.59
4-Methoxycinnamaldehyde	3201327.09	5065093.50	1411317.13
4-Methoxycinnamic acid	1489671.81	2442844.85	1218800.74
4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-1,3-dione	1882313.92	10932195.80	2502093.84
4-methyl-5-phenoxy-6-piperidino-2-(trifluoromethyl)pyrimidin...	1149506.45	302920.29	337585.99
4-Methyl-5-thiazoleethanol	34029820.67	22660024.68	20566489.58
4-methylphenyl 1-ethyl-3-methyl-1H-pyrazole-5-carbothioate	982019.16	800865.38	980924.18
4-(methylthio)-6-phenyl-2-(3-pyridyl)pyrimidine-5-carbonitri...	9694697.32	1523115.00	21489515.92
4-Methylvaleric Acid	47315353.99	48416225.24	46798821.18
4-morpholinobenzoic acid	65117557.71	52909906.28	8295226.41
4-Nitrosodiphenylamine	3764338.83	2320379.74	1905443.02
4-OHE2-1-N7Gua	1239552.95	1170878.59	1800443.61
4-oxo-5-phenylpentanoic acid	2315131.82	2992331.85	1735916.41
4-oxododecanedioic acid	1477313.45	1246243.83	1691219.27
4-(pentyloxy)benzene-1-carbohydrazide	6389906.74	2425738.12	2045280.09
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	1460204.72	511688.46	696923.77
4-Phenyl-3-buten-2-one	2481385.21	3294531.09	2823490.24
4-Phenylbutyric acid	6806786.37	2872582.67	4036312.43
4-Pregnen-17alpha,20alpha-Diol-3-One	1600176.15	1792909.64	2577932.94
4-Pyridoxic acid	6893531.89	6814992.02	3571530.77
4-styrylpyridine	1237212.48	633935.16	559007.55
4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate	6928634.57	7523673.50	4383175.47
5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene...	14390102.01	5616186.05	8147099.44
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic ac...	1927943.26	1254327.55	1576003.04
5,5-dimethyl-3-morpholinocyclohex-2-en-1-one	2268659.38	4441610.47	1832605.32
5,6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one	6667758.52	17881088.80	14659678.71
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid	19739348.91	8621049.20	2210861.59
5,6-Dimethylbenzimidazole	964469.89	538102.14	471832.39
5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine	4728087.55	4914918.05	5816009.04
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	1850196.98	2769633.35	1354927.39
5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one	293087248.60	172319883.76	388660522.11
5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-one	2818843.77	3431282.34	3848597.93
5-allyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitril...	652170.80	418263.15	383492.13
5-amino-1-(4-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide	3234476.54	8827054.09	1388838.58
5-amino-2-(dimethylamino)benzoic acid	5165075.91	1551425.39	2314943.42
5^-Deoxy-5^-(Methylthio)Adenosine	1726523.11	1597851.68	2362597.68
5¶¡-Dihydrotestosterone	15013771.27	1953008.54	1457845.86
5-Fluoro-2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1H-benzi...	4430965.28	4441188.74	2445012.28
5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite	3208940.21	1490768.69	874800.74
5-fluoro AKB48 N-(4-hydroxypentyl) metabolite	448628.63	772996.66	587873.01
5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one	112316751.20	67107166.63	44814167.22
5-Hydroxyindole	5291148.47	4619051.27	5758884.95
5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-one	52236562.95	57935911.54	42870369.86
5-Hydroxyomeprazole	939659.11	1319316.46	769830.71
5-Hydroxytryptophol	27213142.37	17469887.70	12309747.50
(5-L-Glutamyl)-L-Amino Acid	19931212.91	15147308.81	44855967.94
5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4...	817782.26	731278.36	1149602.47
5-Methoxyindoleacetic acid	28251072.77	18450808.15	19406478.41
5-Methyl-2^-deoxycytidine	5557597.31	6969164.18	6426681.17
5-methyl-N^-[3-(trifluoromethyl)benzoyl]-3-isoxazolecarbohyd...	2213118.13	836193.15	1577745.52
5-Methyluridine	8151808.14	7605009.28	14061926.32
5-morpholino-2,4(1H,3H)-pyrimidinedione	1304047.02	1000995.48	2992253.03
5-OxoETE	7631505.54	3546615.58	4961193.56
5-Phenylvaleric Acid	3172550.88	5909521.68	3356467.23
5¶¡-Pregnan-3,20-dione	1994891.62	2256131.99	1289956.87
5(S)-HpEPE	4978697.70	2586766.34	3970272.19
5^-S-Methyl-5^-thioadenosine	7822897.29	246398887.12	1993835.23
5-trans prostaglandin F2¶¬	8103018.12	10656124.36	5113395.04
6-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}-2-pyridinecarboni...	12916709.64	10371854.93	17288317.65
6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran...	1181724.11	1929496.43	746546.44
6-(4-phenylpiperazino)hexanoic acid hydrochloride	2534985.74	3442378.18	1654559.31
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-thione	6397682.42	6131130.86	4971178.77
6,7,8-trimethoxy-2-(2-phenoxy-3-pyridyl)-4H-3,1-benzoxazin-4...	1045741.57	680855.24	2211974.54
6-(7-methyloctyl)-1H,3H,4H,6H-furo[3,4-c]furan-1-one	1712066.00	1258766.42	925713.66
6-Acetylmorphine	8008411.89	5470291.98	931224.19
6-cyclohex-3-enyl-5-nitropiperidin-2-one	1286125.96	981746.14	768384.26
6-Deoxy-D-glucose	2017978.35	1119507.81	2820464.07
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,...	2409498.89	1255505.42	1148788.37
(6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en...	8431031.40	5061050.34	3193711.30
6-Hexanoyl-D-erythro-sphingosine	2032996.21	1706427.26	916400.69
6 ¶¬-Hydroxycortisol	1157808.22	775280.53	563667.17
6-Hydroxymelatonin	9105992.25	6918454.68	9809986.68
6-Hydroxynicotinic acid	25165579.82	20204555.82	13887574.22
6-Ketoprostaglandin F1¶¡	1439460.56	1062847.68	1171714.71
6-methyl-4-(morpholinomethyl)-2H-chromen-2-one	1591432.32	1941395.68	5743042.24
6-methyl-7-nitro-2,3-dihydro-1,4-benzodioxine	2479319.97	2148256.28	1093076.33
6-Methylnicotinamide	3317858.60	2985030.23	1956327.24
6-Methylquinoline	480463224.29	259510919.63	215573991.52
6-Pentyl-2H-pyran-2-one	3935107.70	5704147.19	2644990.54
6-phenyl-1,2,3,4-tetrahydro-2,5-benzodiazocin-1-one	5018090.23	5179965.95	9016724.33
7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine	3336000.68	3138494.48	5002891.49
7-(2-aminophenyl)heptanoic acid	2221069.36	979838.75	1935772.08
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-on...	1664971.99	2703136.37	2100704.97
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1...	23771453.51	23912480.34	25993812.88
7-Aminoclonazepam-d4	1468011.55	756654.77	857975.58
7-hydroxy-6-methoxy-2H-chromen-2-one	5550627.57	5542969.68	4071585.23
7-Ketocholesterol	8282592.93	1096233.19	1926046.84
7-Ketolithocholic acid	586245564.29	506504202.32	568369235.61
7-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indole	1611007.90	1003219.30	1093887.43
7-Methylguanine	78221390.91	32796894.24	45721501.88
7-methylpyrimido[4,5-d]pyrimidin-4-amine	6484699.86	6958205.65	6538641.98
8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one	1905306.47	943884.16	1634875.39
8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one	1007645.50	779535.87	663343.34
8-Aminooctanoic acid	1845283.24	1048063.41	836822.13
(°¿)8-HEPE	11607436.75	7735210.84	5791285.87
8-Hydroxyquinoline	28325487.06	20727608.77	21105464.30
(9cis)-Retinal	1689600.86	1721642.88	1856962.78
9-HOTrE	26301117.09	25870178.68	18749630.40
9-Oxo-10(E),12(E)-octadecadienoic acid	106361120.52	150651440.77	27227425.78
9-Oxo-ODE	25578903.04	10830528.72	7333310.71
Acetanilide	41021566.21	29786568.72	30172272.33
Acetophenone	4999619331.21	1180111972.65	454948696.41
Acetylcholine	425071330.74	493702312.70	605813323.34
Acetyl-L-carnitine	11717443.40	3323679.18	4164261.61
Acid Orange 156	3023130.53	2020076.88	2853631.93
Adenosine	27903260.07	56216104.39	36030351.43
Adenosine 3^5^-cyclic monophosphate	1106692.14	1546710.25	16620485.40
Adenosine 5^-monophosphate	4071017.11	3314287.04	2033502.73
Adipamide	2203298.98	3035977.56	1153188.54
Adrenosterone	2386702.33	3341001.14	2997379.84
Aflatoxin B1	697697.96	610400.23	5444692.15
Aflatoxin G1	2513895.16	2092017.62	2570353.40
Aflatoxin M1	695467.02	224044.42	240423.88
Agmatine	9649734.56	24175921.91	7978268.44
AKB48 N-(4-fluorobenzyl) analog	7497691.81	7598567.34	12868291.95
AKK	1307946.28	1258207.24	1955081.33
AL 8810 Methyl ester	1752564.95	970088.46	884673.24
Ala-Gln	9111791.93	5584214.21	14335292.76
Ala-Ile	150424698.51	84413939.21	144434954.92
Ala-Leu	39830102.06	65902434.68	65244423.06
Alanyltyrosine	14348325.56	33793794.07	27315164.25
Ala-trp	13822423.05	7916111.43	15671546.06
Ala-Val	59149042.02	32428223.72	72394335.26
ALK	4959725.26	2039017.76	6169502.17
All-Trans-13,14-Dihydroretinol	22245565.93	2976658.42	5866300.53
Aloesin	13960052.06	14587320.30	13936073.72
alpha-Farnesene	7125913.33	4371577.47	4106591.66
Alternariol	42660148.91	35142311.70	32977328.35
AMK	2486107.11	3642767.78	1894455.17
Amphetamine	9334742.64	9205890.34	1522118.29
Anacardic acid	1037856.26	1202507.74	922101.74
Anandamide (AEA)	7200716.79	1863682.00	1400270.39
Andrographolide	4536488.67	2872324.99	2953230.00
Androsterone	2104864.67	1595649.54	1037439.34
ANH	4083987.66	6280742.02	2290918.83
ANK	1112342.73	1794588.67	675053.41
APH	866585.63	1439589.50	2010271.36
APK	550344.39	274454.53	618595.09
Apocynin	6227562.59	3855964.48	2681980.64
Arachidonic acid methyl ester	687849.23	545044.14	463305.52
Arachidonoyl amide	8719250.48	4363549.00	4474587.25
Arachidonoyl serinol	1615867.46	987343.12	897701.04
Arecoline	21642028.28	14310893.35	20303333.05
Artemisinin	23937156.88	23813965.54	26513371.20
¶¡-Aspartylphenylalanine	18512392.50	13409220.68	28338074.75
Asp-Glu	7656502.74	4579107.70	9718658.49
Asp-Phe methyl ester	22392765.44	12706453.36	23646104.16
Avocadyne 1-acetate	17623009.92	8654353.91	8710691.55
Azaspiracid-1	1164300.93	767370.32	745274.53
Azetidine-2-carboxylic acid	12697481.04	11238566.89	7924908.71
Azilsartan	1303123.23	1423014.53	1173196.42
Berberine	171388695.59	46288539.22	7737678.55
beta-Nicotinamide adenine dinucleotide phosphate	588796.53	491118.65	404918.53
Betulin	68939899.59	5585807.51	7510676.70
Bialaphos	4160971.32	2149517.97	2709788.04
Bicine	2029515.07	2633288.19	2269555.49
Bicyclo prostaglandin E2	3893827.16	2854140.72	3083835.81
Bilirubin	1099058.69	718085.04	714992.99
Biliverdin	4243815.63	3606260.76	3471059.22
Bis(3,5,5-trimethylhexyl) phthalate	3825626.75	3143482.20	3785829.50
Bisphenol M	2287856.38	1435590.63	1055612.88
Boc-beta-cyano-L-alanine	12029010.31	14384222.39	7225723.01
Boldione	8527018.27	10928842.89	4086867.55
Bosentan	1235837.21	1598186.43	775681.87
Bz-RS-ISer(3-Ph)-Ome	5516985.80	986610.49	1132954.90
C-6 NBD ceramide	3400274.82	2147165.65	1245428.36
C-8 Ceramide-1-phosphate	5174011.78	2755506.30	4321554.53
Cadaverine	5207879.71	4973770.39	1261995.07
Cafestol	7829254.86	4857548.97	2669471.60
Caffeine	1390502.18	2448496.53	1970659.71
(-)-Camphor	30277988.30	33201087.93	12700252.33
(+/-)-Cannabichromeorcin	1939091.00	1948218.94	1897067.35
Cannabidiolic acid	6578537.32	2526649.76	3558344.44
Caprolactam	55631700.91	10751530.00	12164269.03
Carbaprostacyclin	2041736.85	2040337.18	1316749.61
Carbofuran	16867334.28	3719489.98	4795215.40
Carvone	2622299.83	1898497.94	1480275.74
(-)-Caryophyllene oxide	13780745.53	3349067.53	2878975.53
Catechin	1345007.10	1460465.51	1356381.48
Chlorogenic acid	2957263.25	1449109.66	2666828.16
Cholecalciferol	9555152.93	2237187.03	2238780.60
Cholest-4-en-3-one	67839151.32	75577934.14	70470305.10
cholesteryl sulfate	3054955.49	3676209.83	2491181.28
Choline	178819309.72	48564990.19	52525469.24
Cinchonidine	674003.88	739185.97	621053.15
Ciprostene	2174791.20	1753256.78	1349399.94
cis-4-Hydroxy-D-proline	956014.92	2026665.59	627440.64
cis-7-Hexadecenoic Acid	61455704.68	132984362.24	7807057.88
cis-gondoic acid	48207454.42	11845312.35	11440131.40
cis-Resveratrol	21347258.92	4056295.55	1831770.41
Citral	3886443.76	4302437.50	4378851.96
CKK	382936.49	282420.46	745663.23
Clinafloxacin	1464390.19	831842.20	764130.61
Cnidioside A	3729200.61	2084660.52	3896743.97
Coenzyme Q2	5526622.19	3503265.62	2210949.05
Coniine	9107889.58	4146712.38	13443954.73
Corticosterone	4671439.91	2389395.26	1877565.04
Cortisol	767660.23	733284.22	409089.46
Cortisone	3801137.43	2519996.06	2065573.98
Coumarin	23829406.23	22671568.94	14727709.89
(+/-)-CP 47,497-C7-Hydroxy metabolite	898888.04	496410.85	488293.52
Creatine	123061444.02	118521148.78	179884444.08
Creatinine	118010048.37	61710930.33	142227258.13
Cryptotanshinone	3842891.47	3615436.91	1650662.93
Cuminaldehyde	26946188.96	44670796.25	20486739.30
Cyclohexaneacetic acid	3300563.36	4980100.99	2725805.09
Cyclohexanecarboxylic acid	7079004.65	7861366.64	3284725.08
Cyclohexylsulfamate	519978.36	561776.40	512018.41
Cystine	4343178.64	349621.83	454401.81
Cytisine	2316743.80	990345.86	1471829.54
Cytosine	16089342.69	8720299.01	15735275.21
Daidzein	72625516.79	77686696.23	17841125.16
D-Ala-D-Ala	18036601.88	25393767.74	30454460.38
D-(+)-Camphor	6978822.68	5072010.96	4753482.75
Debromohymenialdisine	1426409.28	1018570.21	2198092.67
Decanoylcarnitine	33439406.51	2817614.01	6874483.34
Dehydrocholic acid	16448071.27	17447078.70	16822255.07
Dehydroepiandrosterone (DHEA)	1854766.95	644948.40	513864.05
Delta-Tridecalactone	5782369.12	3962273.36	3052744.03
Deoxycorticosterone 21-glucoside	2176951.61	3695402.63	893582.16
Deoxycytidine	3009501.55	2791577.24	3364594.53
Deoxylimonin	7587944.04	4712798.45	4372321.05
Desloratadine	1329069.34	1494634.29	1712139.76
Desthiobiotin	16607702.43	14014393.94	10306470.36
D-¶ƒ-Tocopherol	5860320.22	1194432.43	2041434.67
dG-C8-IQ	2832637.92	1309373.92	2188276.12
D-Glucose 6-phosphate	1918977.06	886062.35	944047.90
DGMG (18:2)	5591997.68	3874594.09	9150926.46
Di(2-ethylhexyl) phthalate	3016880.48	1974771.69	2135497.58
Diaminopimelic acid	386806.84	151297.51	60908.34
Dibutyl sebacate	25114882.80	19616995.25	11446225.08
dihydrotachysterol	1278441.66	1057563.02	4595794.93
dimethyl pyridine-2,5-dicarboxylate	8657066.23	6330999.34	10016965.01
Diosgenin	2793191.78	1861402.28	976558.13
Diosmetin	17376097.53	49626755.88	4249378.20
Dipropylene glycol dimethyl ether	79359238.00	7958808.52	6378658.57
DL-2-(acetylamino)-3-phenylpropanoic acid	42981596.27	21396993.49	9703130.83
Dl-3-Hydroxy-kynurenine	174404.39	158774.00	139467.22
DL-¶¡-Aminocaprylic acid	1968663.75	3405689.70	1252658.76
DL-Arginine	3072189.90	3630219.25	11128956.92
D,L-Camphor	10996010.42	9968685.10	10397672.40
DL-Glutamine	16463158.84	6787195.00	10447799.37
DLK	15638656.36	8820254.29	21390677.03
DL-Lysine	203875946.65	72486055.13	67090331.27
DL-m-Tyrosine	59244694.91	44835769.48	43499797.30
DL-Panthenol	6264552.21	1632884.79	3574589.66
DL-Stachydrine	79842495.36	89135070.02	67063632.96
DL-¶¡-Tocopherol	4147824.54	4938162.55	9254528.64
D-(+)-Maltose	38992834.09	8262173.03	125543755.04
DMH	39913129.67	13832184.48	62899259.59
DMK	3088540.98	3279199.37	2339058.77
Docosahexaenoyl Ethanolamide	2635313.09	2023420.23	1207646.83
D-Panthenol	2100763.60	2022698.02	985436.07
DPH	2370254.47	1916985.57	2602036.84
D-Phenylalanine	43252665.90	27353598.23	22202919.73
D-(+)-Pipecolinic acid	27478644.81	21040538.58	24051924.24
DPK	2160057.84	2602696.11	2187198.08
D-(+)-Proline	99326668.50	50173554.38	76153942.07
DRH	2137477.96	1234002.13	987398.38
D-Sphingosine	51264323.29	27131107.56	13584065.26
D-¶¡-Tocopherol	1511126.42	1290626.43	1058364.51
Ecgonine	13400692.42	2365915.66	4105669.83
Ecgonine methyl ester	4559332.53	3051322.85	7558817.85
Edaravone	6746335.06	2521669.84	4395625.16
Eicosapentaenoic acid	11136272.34	12495285.11	6405284.06
EKK	679969.04	574464.69	1155339.70
ELK	12101035.47	4703944.06	7288685.24
EMH	2156040.21	2401707.64	4312794.94
Emodin	1155821.34	2547966.39	957639.77
ENK	2849763.28	3660002.44	2902652.57
Enrofloxacin	1710242.96	1808494.90	782282.71
EPH	1462677.65	228713.61	3324171.20
Epinastine	2246239.31	3270411.68	1887288.33
Epinephrine	13969185.60	7064525.02	8275166.32
Epitestosterone	12631213.23	5736733.00	8150466.74
EPK	12116989.71	9400630.99	17714284.00
(+/-)-Equol	3489168.14	3254289.13	3100555.52
Ergocalciferol	1707721.97	2546476.99	1317975.84
Ergosta-5,7,9(11),22-Tetraen-3-beta-Ol	1306315.11	3216197.43	876829.07
Ergosterol	3112163.03	2380578.34	1549664.18
Ergosterol peroxide	7172699.89	6209522.20	5354144.20
Erucic acid	3469351.14	1967861.04	1196900.10
Estazolam	1514128.61	1748222.62	1690608.01
Estradiol	8297126.22	9342665.00	7731850.63
Estriol	3163553.97	3057834.23	3032650.63
Estrone	2890606.24	2523920.77	1518622.90
Estropipate	2244866.01	3135550.68	1345971.23
ethyl 1-(2-cyano-3-fluorophenyl)-5-methyl-1H-pyrazole-3-carb...	2455733.05	1488476.36	2613806.33
ethyl 2-amino-8H-indeno[2,1-b]thiophene-3-carboxylate	29543695.99	800326.43	3024736.19
ethyl 2-cyano-3-[(2-oxoazepan-3-yl)amino]acrylate	4681145.35	1861951.80	1504107.60
ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate	10311075.39	224554.26	3781397.44
ethyl 4-[2-(3,4,5-trimethoxybenzylidene)hydrazino]benzoate	1768626.28	1436752.32	1741652.76
ethyl 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylate	2092702.11	614217.49	756126.57
Ethyl oleate	4920494.67	17885377.65	1136067.80
Etiocholanolone	9417513.44	3577824.61	1482623.22
Fenpropimorph	47700483.35	40730496.60	48142074.57
Fenvalerate	5885474.41	6423521.77	1411963.32
Ferulic acid	11328784.35	3431405.15	4507670.25
Fexofenadine	1606201897.74	2884041.75	4932640463.28
FIBF-d7	7356601.42	6905373.30	2199087.78
FKK	2004557.24	1823258.25	905832.40
FLK	17396914.54	19219677.98	35183788.00
Flunitrazepam-d3	5169458.40	1703493.63	1329783.99
FMH	114363081.73	51661929.59	63722795.59
FMK	386667.82	678011.71	315000.50
FNK	2318274.59	546324.13	1691245.39
Folic acid	1457161.30	462360.55	1289334.76
Folinic acid	4586736.87	7236127.48	3112556.57
Formononetin	4146036.17	4326615.56	4152264.25
FPH	1635262.31	1293021.38	1271762.45
FPK	9658482.60	2586089.27	3772018.39
FQH	1091893.40	840114.86	720037.95
FRH	9394071.25	5996981.97	3168091.00
Gamma-Glu-Leu	34279308.64	12453207.40	23758190.59
gamma-Glutamyltyrosine	6908152.95	4521035.74	5566610.24
gamma-Nonanolactone	12146329.14	13084949.19	4470674.00
gamma-Tocopherol	1045017.18	518301.51	474722.76
Gemifloxacin	1666414.53	581201.26	616102.27
GLK	11637698.33	3108465.66	8520409.54
Gluconolactone	15576625.41	26356572.04	808530.61
Glu-Thr	15754819.00	8682856.47	26519857.37
Glu-Val-Phe	25467197.97	20043260.18	35490694.08
Glycerol 1-hexadecanoate	5009644.26	4196799.05	1285996.56
Glycerophospho-N-palmitoyl ethanolamine	46888362.45	3719449.79	13232568.42
Glycine anhydride	8945267.52	5342141.69	10882198.31
Glycitein	12874806.84	5843679.77	7648608.56
Glycitin	3110906.25	5149720.72	2882272.17
Glycolithocholic acid	13509431.79	1254275.35	1366147.65
Glycyl-L-leucine	227021654.30	77170813.72	162194768.52
Glycylproline	41398063.27	34391690.04	49968540.30
Gly-Phe	14350384.15	25562757.13	26690522.81
Gly-Tyr	9935677.81	10235343.28	12455511.64
Gly-Tyr-Ala	7166291.03	3858928.23	9353627.54
Gly-Val	32106639.94	12632835.60	20443745.97
GPH	1896302.26	2483863.00	2346863.78
GPK	1218252.37	833442.90	2210397.97
Gramine	105738360.70	49000406.86	32293963.10
Guanidineacetic acid	776395.41	1272690.52	663648.74
Guanine	27724751.54	16349385.84	62225222.71
Guvacoline	9545384.81	7422877.01	10225915.43
GW501516	618768.35	958331.39	534083.77
Harmine	2343421.06	1336428.83	2906791.31
Heptadecanoic Acid	1472101.03	927280.86	917629.93
HET0016	6242282.37	5473487.75	5175532.65
Hexadecanamide	13113521.32	3280798.93	24917671.94
Hexanoylcarnitine	5760778.28	829036.33	910877.26
Histamine	23778105.18	53839236.06	16223805.36
HMK	4213967.89	3661472.69	14979211.49
Homocysteic acid	848802.44	714510.68	184995.31
Homo-Gamma-Linolenic Acid (C20:3)	5802019.54	4602797.99	2543413.85
HRH	1876509.59	1511548.11	3021303.37
H-Tyr(3-I)-OH	94141.06	272369.09	136315.54
Hydrocortisone	2018984.22	1321000.37	1969495.94
Hydrocortisone acetate	2390234.29	3604322.08	3189478.21
Hydroquinone	54221196.91	43671994.41	20042365.82
Hydroxyprogesterone caproate	8638099.49	5811383.35	4018750.37
Hypoglycin A	12777341.80	11649098.93	11640771.88
Hypoxanthine	497393737.84	156392311.82	515556754.49
Icaritin	12712506.43	9905609.95	9401883.18
IKK	2083279.19	1426411.15	2890393.82
ILK	52602525.18	56480083.95	26702011.52
Imidazoleacetic acid	8634989.77	8114566.10	7423998.88
Imidazolelactic acid	9611601.41	6106756.10	5121723.86
IMK	3904688.45	3879735.74	3132896.23
Indole	214696190.22	136683713.61	59899604.54
Indole-3-acetaldehyde	3398889.46	3620736.33	3468950.74
Indole-3-acetic acid	111502042.96	11021308.27	5971125.83
Indole-3-acrylic acid	1896040.05	910194.74	1076780.36
Indole-3-butyric acid	6959190.11	3462878.17	5951324.11
indoline-2-carboxylic acid	6503997.67	6147387.20	3943877.63
Ingenol-3-angelate	215303.45	337117.77	164336.16
INK	1860979.91	1525523.58	4366178.44
IPH	1516253.56	2079270.48	725991.81
IPK	7485815.50	2776861.99	4405049.94
Irganox 259	4763385.80	4950415.86	4814370.71
IRH	34331974.71	19339020.53	13210667.79
isoleucine	79888677.59	50506160.81	92025739.79
Isophorone	244084133.73	339007945.14	184447862.23
Isopropyl myristate	778403457.54	288833876.31	1145956913.22
Isoproterenol	5626756.78	5777137.93	9822679.90
Isoquinoline	15625203.19	15458512.64	19331197.65
Isorhamnetin	2861665.05	3265429.97	5043793.50
Isotretinoin	10809909.42	7034156.48	3942128.91
Jasmone	7144543.74	3917967.29	3590849.40
Jervine	7926984.31	768072.07	1564111.36
JNJ-1661010	4547541.08	2782766.94	3959795.86
JWH-018 N-(3-methylbutyl) isomer	1581317.74	1331582.94	2215695.58
Kahweol	2559705.02	5166679.70	3194003.02
Kanosamine	1431219.12	2464185.36	603028.20
Kasugamycin	2901336.20	4049778.84	2775775.49
Kinetin	17615721.74	12252832.97	13714092.68
Kinetin 9-riboside	1116755.04	1307294.91	731792.54
KNK	2980640.39	2327789.64	5057258.23
KQH	2174927.70	1604983.10	1261242.10
Kynurenic acid	9915808.77	7615550.97	4669019.80
L-5-Hydroxytryptophan	24533055.70	17229262.75	15071168.30
Lactitol	1712487.57	1047732.31	1554682.19
¶¡-Lactose	1371095.83	5150065.67	2944077.48
L-Adrenaline	127438137.53	83012839.40	60432947.92
L-Alanyl-L-Lysine	5670567.43	5453505.46	4737659.08
L-Alanyl-L-proline	49661779.11	32279224.92	40373878.36
L-(-)-alpha-Amino-epsilon-Caprolactam	3625251.73	1796100.40	4378826.29
¶¡-Lapachone	1442412.15	416573.56	436836.75
L-Asparagine	2062510.24	1562348.37	1303769.80
L(-)-Carnitine	60476136.07	30308574.17	60781259.78
L-Carnitine	525290.51	50811.86	175744.99
L-(+)-Citrulline	10342556.34	266541.10	3828805.65
L-Cystathionine	706378.72	652637.43	2680753.55
L-Dopa	5280221.65	4925600.19	4353914.80
Leucylproline	529492317.98	406364797.93	518893815.24
Leukotriene B4 Ethanolamide	1167545.55	885441.66	1255175.03
Leu-Pro	12372658.43	11534604.18	22859490.77
Levalbuterol	2313699.56	1600089.60	1099036.75
L-Glutamate	4103563.82	3514209.14	3448444.90
L-Glutamic acid	137077824.80	86777600.43	57511316.94
L-Glutathione (reduced)	2478031.78	1802090.15	718402.78
L-Histidine	41923039.92	18452942.39	24971626.95
L-Homocystine	1686408.15	575861.84	659589.79
L-Iditol	18641296.03	6500586.17	166221246.35
Lidocaine N-oxide	9869122.52	4570901.69	7637440.28
Limonin	7087675.91	19840105.46	11204369.76
Linolelaidic Acid (C18:2N6T)	5221265.38	2156735.52	2785389.91
¶¡-Linolenoyl ethanolamide	6970757.50	4433325.05	4661807.71
Linoleoyl ethanolamide	739109887.72	581223292.63	294093923.04
L-Isoleucine	1448980095.84	594153594.31	769886144.97
L-Kynurenine	4791276.12	3313070.02	2976327.85
L-Leucyl-L-Alanine	42954680.36	53209241.15	87119577.84
LLK	153435269.15	148677774.69	146805934.25
L-Lysine	29392729.59	8366747.19	17286212.70
L-(-)-Methionine	679316454.87	396751051.35	228313358.97
L-Methionine Methyl Ester	1445832.71	6312932.56	2260298.55
L-Methionine sulfoxide	63531599.34	34383109.12	75237375.42
LMH	6865074.53	4078793.54	14607066.66
LNH	1458649.48	517065.18	1070818.69
LNK	27159656.50	14233687.50	29866461.10
L(+)-Ornithine	52431116.97	14475894.65	17381851.40
Loxoprofen	56538270.28	34788924.92	93061240.75
LPH	11800473.28	5589464.20	9524722.11
L-Phenylalanine	28499964.38	30532359.37	16759972.88
LPK	3586782.84	2058874.21	2663981.78
L-Pyroglutamic acid	14891860.97	11700181.77	10023708.44
LQH	1676371.04	1609134.56	3353456.61
L-Saccharopine	3931984.44	4328904.85	3729807.45
L-Threonine	31802298.69	24754695.20	11655593.04
L-Tryptophan	684227454.79	325806846.38	350921049.44
L-Tyrosine	1617197592.92	990645174.63	1609733237.27
L-Tyrosinemethylester	49895789.42	52522153.59	50750390.25
L-Valine	701851371.90	382731815.44	468861665.85
Lysine Butyrate	6498577.49	361749.76	637280.99
Lysopa 16:0	3052271.14	2685741.50	2415755.09
Lysopc 16:1	1024498.25	744960.59	554587.75
Lysopc 17:0	3992712.14	2788992.16	8540908.24
Lysopc 18:1	58748064.11	46966048.38	59965328.56
Lysopc 18:2	33505229.52	50701092.76	57880460.21
Lysopc 18:3	2783828.86	8788090.63	3495701.48
LysoPC 20:2	2210809.97	2720105.68	1877209.18
Lysopc 20:4	4441236.48	3134114.44	9168091.60
Lysope 14:0	2286572.39	3092872.37	1581604.03
Lysope 16:0	1109014.94	788581.25	1598654.77
Lysope 18:1	30048044.42	3799993.44	14197796.15
Maduramicin	3042405.31	2830607.57	2719060.42
Mag (18:1)	1332438.47	1202509.17	729033.80
MAG (18:2)	453898110.56	348822220.43	185800277.20
MAG (18:3)	6239499.02	49879421.44	1850439.17
Maltol	63258210.50	47030470.10	22594493.67
Maltopentaose	1050846.74	800944.22	2766315.09
Maltotetraose	3051803.54	576888.78	9131521.65
Maslinic acid	57581179.87	10020662.61	19427342.71
Melatonin	3520721.42	1871019.85	1816125.52
mesaconic acid	4729529.47	3056762.94	2148074.94
Methanandamide	3667270.49	2170107.43	1927053.48
Methandrostenolone	7164436.31	6132846.64	5960642.25
Methionine	4332297.03	1949863.70	1642140.32
methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hyd...	3298620.59	2525062.20	3450393.88
methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate	16302713.86	13759438.48	11237984.06
Methyl 3-indolyacetate	25191461.48	20349620.93	19560411.13
Methyl cinnamate	11479734.45	12543129.30	16250500.52
Methyldopa	8851877.70	5936434.81	8731363.96
Methyl EudesMate	2018122.65	2043676.97	3028275.77
Methylimidazoleacetic acid	73224426.76	85921042.04	87456845.53
Methyl nicotinate	13209539.31	9858321.63	10693451.88
Methyl palmitate	1426313.55	1263983.40	3679239.13
Methyltestosterone	2294935.97	2181138.70	2300948.54
MGMG (18:2)	1132798.66	815219.22	1060093.15
Milbemectin A4	2564156.43	2752727.27	2351302.37
Milbemycin A3 oxime	669892.20	253632.29	1070253.22
Minocycline	2806428.35	3675831.62	2089056.76
MLK	5806309.78	5459769.88	6109672.82
MNH	1059862.16	427625.96	1195544.31
MNK	888522.58	491089.44	474999.05
Monolaurin	2460318.76	1383058.01	3869210.85
Monoolein	8906987.97	13727965.84	9053178.62
Mosapride citrate	19910954.90	1594153.46	1392472.27
MPH	1624636.76	1628951.99	1751578.72
MPK	1474936.26	834445.75	870290.88
MQH	3491665.55	3158451.21	6308165.58
Mupirocin	8593991.02	7657113.29	3859317.74
Muramic acid	3468085.29	4913417.99	4567158.69
Muscone	1308229.22	2840185.05	905556.01
N1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,2-dimethylprop...	1488411.63	737340.37	665399.26
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide	1662723.26	1785411.54	1123497.94
N1-(2-pyridylmethyl)-2-[3,5-di(trifluoromethyl)benzoyl]benza...	459974.21	1176432.57	512467.71
N1-(3,4,5-trimethoxyphenyl)-3-(2-chlorophenyl)acrylamide	583965.87	1226478.55	497120.75
N-(1,3-benzodioxol-5-ylmethyl)-6-morpholinonicotinamide	1486898.35	147545.06	1475735.80
N^1-(3-phenylprop-2-enylidene)-3-(4-hydroxyphenyl)propanohyd...	12788778.11	11265410.23	1927774.00
N1-{4-methyl-2-[(3,4,5-trimethoxybenzylidene)amino]phenyl}ac...	71416504.04	57151904.17	41248113.48
N1-(4-methylidene-3-thia-1-azaspiro[4.5]dec-2-yliden)-2-chlo...	1438282.01	736773.60	1928666.35
N1-{[5-(2,4-difluorophenyl)-2-furyl]methyl}benzene-1-sulfona...	435236.29	147399.12	241048.88
N1-Acetylspermine	5994164.30	3468590.07	1786251.74
N-(1-benzothiophen-2-yl)-N^-(2-methylphenyl)urea	2778364.65	1214688.94	1133666.65
N1-cyclooctyl-4-hydroxy-1-piperidinecarbothioamide	1789609.26	778102.28	777054.28
N1-hexahydropyrimidin-2-yliden-2,6-dichlorobenzamide	1582922.83	973973.21	1008416.57
N1-isopropyl-2-(1H-2-pyrrolylcarbonyl)-1-hydrazinecarboxamid...	368745.89	10377356.95	374641.54
N1-isopropyl-2-(phenylthio)benzamide	1524038.11	355461.66	389592.73
N1,N1-diethyl-4-[2-(4-bromophenyl)diaz-1-enyl]aniline	1380044.25	953872.27	876575.24
N1-pyrazin-2-yl-4-chlorobenzamide	107301.13	62044.55	199646.74
N1-tetrahydrofuran-2-ylmethyl-2-cyanoacetamide	8120393.01	3443374.44	4525680.17
N-[2-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)vinyl]-N,N-dimeth...	4607878.73	1964488.78	1570990.52
N-{2-[(4-amino-5-cyano-2-pyrimidinyl)sulfanyl]acetyl}-N^-phe...	1530759.61	1176237.61	853954.96
N-(2-hydroxyphenyl)acetamide	20548219.27	8321943.40	9828960.48
N2-Methylguanosine	915668.65	1285963.41	841128.32
N-(2-morpholinophenyl)-2-furamide	2163767.08	1214823.05	1329464.75
N-{[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2...	2156280.94	1411216.68	1018421.58
N-[3-(1-methyl-1H-pyrazol-3-yl)phenyl]-N^-phenylurea	2414324.81	2753636.13	2093746.32
N^3-(3,4,5-trimethoxybenzylidene)pyridine-3-carbohydrazide	4340746.97	35855102.18	1951718.69
N3-benzylphenanthro[9,10-e][1,2,4]triazin-3-amine	2743464.24	2133740.00	1223112.53
N3,N4-Dimethyl-L-arginine	17506380.37	11533280.48	15887124.62
N-{4-[(2R,3R)-3-(Hydroxymethyl)-5-oxo-2-morpholinyl]phenyl}a...	1245242.97	1233615.85	5730297.73
N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide	205596.59	23726.95	24731.46
N4-Acetylsulfamethoxazole	1334025.75	3533352.81	1092396.50
N-(4-chlorophenyl)-5-hex-1-ynylnicotinamide	1866358.66	3620238.31	1561914.65
N-[4-(diethylamino)phenyl]-N^-phenylurea	6561922.98	4757304.75	13356599.17
N-(4-fluorophenyl)-N^-(2-piperidinophenyl)urea	1463598.46	1013785.10	605160.84
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide	2231612.69	1777193.86	2356394.36
N-(4-methoxy-1-methyl-1H-indazol-3-yl)-5-methyl-3-isoxazolec...	6032603.49	28467839.61	5860652.45
N-{4-[(nitromethyl)sulfonyl]phenyl}acetamide	3525550.64	914622.70	1572143.17
N-(4-piperidinophenyl)-2-thiophenecarboxamide	3441413.31	2997417.60	2162920.34
N-(5-acetamidopentyl)acetamide	2031168.56	2198515.94	2116784.71
N-(5-Aminopentyl)acetamide	789688012.78	472136301.95	249814444.73
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecar...	10520730.92	14561232.06	7729224.64
N6-Acetyl-L-lysine	16468287.75	6550629.11	12932152.70
N6-Me-dA	11409814.64	10901693.37	14121902.10
N-(6-methoxypyridin-3-yl)thiophene-2-carboxamide	1126371.86	730831.75	262281.75
N6-Methyladenine	2963062.67	483085.88	696923.59
N6,N6,N6-Trimethyl-L-lysine	19575161.40	9383823.46	7866820.71
N8-Acetylspermidine	67540905.36	86305895.30	31809963.28
N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-4-nitrobenzamide	2930668.50	2177345.24	5925851.07
N-(9-oxodecyl)acetamide	9201719.24	10756940.87	9728769.16
N-Acetyl-aspartic acid	3330935.82	4097763.89	3105919.00
N-acetyl-D-glucosamine	17271305.56	10940352.45	13622823.81
N-Acetyl-DL-phenylalanine	9381088.57	3820636.04	3346696.36
N-Acetyl-DL-valine	6173299.71	4883743.78	3688572.07
N-Acetyl-D-tryptophan	5020981.11	2357613.53	1999655.88
N-Acetylhistamine	81445037.77	65893175.83	81994028.97
N-Acetyl-L-carnosine	1036700.29	836617.30	2531954.43
N-Acetyl-L-leucine	28563676.31	6835942.00	9291547.03
N-Acetylmethionine	1957790.35	1316654.32	735297.80
N-Acetylornithine	41448791.50	21818930.55	29000510.90
N-Acetylputrescine	248063337.20	335883840.92	301509218.15
NAD+	3963940.55	3085069.70	7461027.99
N alpha-Acetyl-L-Arginine	22841902.77	16239980.37	51814929.24
Narasin	4543337.55	4146045.05	6396834.29
Natamycin	19463400.99	19573368.91	18792956.52
N-benzoyl-N^-(2-chlorophenyl)thiourea	424658.51	91253.15	101602.88
N-Benzylformamide	607182458.82	380287358.09	690182696.08
N-Carbamyl-L-glutamicacid	2468944.76	1483489.10	1169579.78
N-cyclohexyl-N-methyl-6-quinoxalinecarboxamide	6140051.46	5894041.28	9418292.34
N-Cyclohexyl-N-methylcyclohexanamine	2471734.46	1088869.06	3741113.23
N-Desmethyl sildenafil	1811018.60	1946261.02	2425329.84
N-Desmethyltramadol	1526554.96	3771614.24	3205144.37
Ne-(1-Carboxymethyl)-L-lysine	8617489.30	8697076.46	14855524.03
Neopterin	1820818.84	960031.26	3688228.39
Neosaxitoxin	402268.93	89433.54	318778.66
N-Formylkynurenine	13202383.72	8722348.30	6533509.79
N^-hydroxy-2-methyl-1,3-thiazole-4-carboximidamide	861697.65	723483.45	1112032.72
Nicotinamide	65571908.80	82405103.29	69069302.28
Nicotinamide adenine dinucleotide (NAD+)	179274.97	304237.84	141817.25
Nicotinate ribonucleoside	18000377.20	17693660.42	6368208.38
Nicotinic acid	174370555.95	226294038.65	155787919.51
NKK	4808039.07	4290544.64	10218815.96
N-¶¡-L-Acetyl-arginine	6024860.29	4049658.38	5111957.80
N-Methyldioctylamine	78874222875.93	71866794083.29	68975942639.26
N-METHYL (-)EPHEDRINE	2428154.44	2398489.51	2102408.64
N-Methylhydantoin	17431519.26	22315048.29	16509302.66
N-Methylisoleucine	5948722.00	9232880.40	4010717.19
NMK	31399468.72	22047491.82	43392719.72
N,N-Bis(2-hydroxyethyl)formamide	5094723.71	10482421.72	4200618.83
N,N-Diethyldodecanamide	8400363939.90	5442328945.44	9659682394.30
N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin...	5520568.07	3628711.54	12395371.90
N,N-dimethyl-9H-purin-6-amine	4041718.73	1181168.37	3825061.37
N,N-Dimethyldecylamine N-oxide	25684222.54	18867974.21	20885577.58
NNK	2070132.64	2418840.25	9645730.54
Nonadecanoic acid	8989904.91	8908631.27	8296340.43
Nor-9-carboxy-¶ƒ9-THC	16115434.26	19071788.98	13950988.05
Norcodeine	900920.95	512964.66	329764.87
Norfenefrine	5853661.23	5006810.74	7316477.26
Norharman	9552168.55	6268934.21	11484447.65
Normorphine	2274313.46	5493894.72	2522229.76
Nornicotine	1689632.35	2540467.06	856095.26
Nortriptyline	1113455.92	763266.01	3004571.75
N-P-Coumaroyl Spermidine	785024.22	706214.60	535530.97
NPH	794915.50	1574029.95	488494.47
N-phenyl-N^-{[5-(2-phenyleth-1-ynyl)-3-pyridyl]carbonyl}thio...	857736.92	3414954.60	869360.33
NPK	5514359.46	4800331.24	824774.82
N-Stearoyl taurine	3044109.07	1703730.24	1712349.26
N-Tetradecanamide	448002114.03	431774823.68	580172348.69
NVP-231	1302442.21	1222841.42	1027462.61
O-7460	2411849.97	1905654.63	1980896.97
Obscurolide A1	1894604.39	468949.00	714308.65
o-Cresol	15543527.30	8632499.36	9313536.60
octadec-9-ynoic acid	157097382.56	81120154.94	38050603.73
Octadecanamine	197885457.36	179624187.36	215405544.38
Octopamine	32996704.12	25553811.65	23668681.75
Octyl hydrogen phthalate	2648441.04	2157742.17	2002277.16
O-Desmethylnaproxen	795518.72	468435.91	263635.01
Oleamide	461957211.42	366335636.68	363565207.05
Oleanolic acid	10399661.63	8330949.73	4619417.31
Oleic acid	1221319629.54	1672076104.39	425610273.73
Oleoyl ethanolamide	251306087.23	147474104.88	102994151.76
Oleoyl ethylamide	372289020.89	187290217.97	217348022.47
o-Toluic Acid	20745093.88	18518393.43	19786215.40
Oxaceprol	20232453.44	17280560.05	12820438.12
Oxohongdenafil	21040896.61	18283940.85	9990096.72
Oxymatrine	20658474.85	1033830.29	1200010.27
Oxymorphone	42299600.00	62687934.11	33098350.42
PAF C-16	7562580.82	1833985.18	8495097.06
Paliperidone	1529773.54	1921629.30	2427572.35
Palmitoleic Acid	20673497.60	24918297.22	14037114.07
Palmitoylcarnitine	37552209.80	11632787.38	25846618.86
Palmitoyl ethanolamide	58989901.58	34877059.03	48910969.83
P-Aminohippuric Acid	2237254.89	2444159.51	3091088.89
Pantetheine	12498392.56	13464949.30	29245555.41
Paracetamol	2684122.66	4484486.94	1856081.02
Pazufloxacin	403405.20	325046.94	108100.48
PD 0200347	2423055.66	2696404.50	686494.51
pentane-1,2,3,4,5-pentol	383274.56	1371089.04	976488.46
Phenmetrazine	2649957.29	1741306.78	1300644.74
Phenylacetylglycine	15031937.92	13413501.53	12541755.99
Phenylpropiolic acid	4307687.44	4796286.18	2629680.81
Phenytoin	9289295.77	2823914.64	10514849.09
Phe-Pro	111464653.51	70228372.37	72821695.24
Phlorizin	872872.30	972218.61	723607.20
p-Hydroxybenzaldehyde	12181457.94	12259423.75	7217778.22
Phylloquinone	9746037.46	1697793.35	2345284.13
Pilocarpine	29366770.67	1894679.59	1712350.36
Pipecolic acid	285729103.06	224147971.52	187397602.98
Piperine	6199180.46	8487332.20	2351347.04
PKK	621621.74	558170.68	190845.38
Pleuromutilin	3146152.56	2137953.46	2761632.34
PLH	14688296.73	5027491.44	10320271.08
PLK	5035038.13	3448901.98	49811170.61
p-Mentha-1,3,8-triene	99685099.67	50721958.27	104006257.94
PNK	1321212.61	2057376.19	2085733.45
Poncirin	4353476.18	1853757.83	2572190.15
PPH	3873014.67	2326114.83	1153276.41
PPK	1007196.97	564590.61	604137.66
PQH	1764024.11	2685645.11	2152718.21
Prednisolone tebutate	2299468.24	2959837.09	2720362.36
Pregnanetriol	3603502.90	4703947.41	34356669.11
Progesterone	5019064.68	4777702.92	5305486.32
Proline-hydroxyproline	9071297.73	4668111.22	3784251.42
Prolylleucine	2969671.36	2825415.76	6156702.45
Propionyl-L-carnitine	11026941.66	15478740.78	8089758.75
Proscillaridin A	2864904.07	1708925.72	2798461.44
Prostaglandin A2	10955808.10	2928674.48	3419664.70
Prostaglandin B2	2354407.34	1809939.08	1389652.51
Prostaglandin E1	59537030.59	9154245.35	11782589.83
Prostaglandin E2-1-glyceryl ester	5189910.05	2509570.37	5062530.42
Prostaglandin F2¶¡-1-glyceryl ester	10069588.07	7477002.57	19549663.08
Prostaglandin G2	2758461.19	2876323.54	2781948.93
Prostaglandin J2	1802036.51	1989004.46	1678473.32
Prostaglandin K2	3663015.73	3624130.04	2683662.28
Protopine	2825960.46	904889.12	1695738.49
Psychosine	13843242.44	4626288.17	2741824.39
Puerarin	2565277.59	13169839.09	777703.55
Punicic Acid	6348562.28	8623263.30	4085620.02
Pyridoxal	5254747.85	2630889.43	1467995.15
Pyridoxamine	4586114.08	6028888.03	4081978.79
Pyridoxine	10882621.45	9538200.59	10072337.44
Pyridoxine O-Glucoside	2185038.10	1693384.89	1368310.18
Pyroglutamic acid	7808791.63	5438791.34	4715359.47
QKK	1256010.96	886859.22	693013.20
QLH	1331464.14	685718.50	2560100.21
QLK	2229723.11	1724624.11	6343595.26
QNK	3064919.56	1567903.45	3748863.50
Quinoline	146519495.75	28305287.49	18541250.33
R-1 Methanandamide phosphate	383625237.95	43217791.47	8256135.92
Reserpine	20914103.44	49923266.25	20226175.65
Riboflavin	55513683.68	28353137.37	20122568.46
Ricinine	3444689.09	1416218.63	2296289.37
Ritalinic acid	2298626.07	1124974.36	1181450.86
RKK	14277173.31	1035253.53	2289401.88
RLK	1241495.16	402321.57	1901751.57
RMH	3712716.03	2622518.30	14500756.33
RMK	2161671.46	2360559.92	1901652.14
RNH	6406742.43	3907872.86	5323898.33
RNK	7475941.51	5041726.11	9116410.48
Rosmarinic acid	1355511.22	872473.85	637090.37
Rosuvastatin	237949221.15	1138907.86	2143734.36
RPK	16736901.69	2953519.17	6000942.34
RQH	16737632.83	16389371.75	15749782.60
(S)-10-Hydroxycamptothecin	1272234.19	1484353.38	1261434.88
S-Adenosylmethionine	475189.85	133741122.04	3108553.73
Safrole	1477032.95	1667926.97	2838099.36
Salsolinol	13547722.61	20842811.74	11354910.68
Salvinorin B	2917894.91	2786378.77	3740626.75
Sedanolide	3275495.51	4675507.84	4409724.01
Senecionine	26707115.70	28550559.40	27204457.92
Sepiapterin	251603.66	279580.89	175324.70
Silibinin	116126127.70	129221197.62	125359003.38
Sinapyl aldehyde	2753844.99	2081692.32	1509004.09
SKK	3313778.14	2699112.99	1714979.39
SLK	21733924.07	12751468.14	48039910.68
S-(Methyl)Glutathione	7888836.91	5562047.25	656092.24
SMK	464079.20	669820.59	887597.42
SNH	946016.02	766402.64	896932.38
(S)-Nicotine	3628236.98	2561805.34	1878770.88
SNK	2179248.48	3420282.86	2053861.52
Solanidine	2509802.13	2078155.55	8824933.76
Solanine	2556730.87	1859097.36	9651664.74
Solvent orange 2	4138883.28	4965193.60	2544334.99
Spectinomycin	4397221.35	6281495.17	2820006.81
Spermidine	30377695.93	67452458.93	59168476.73
Spermine	1212091.38	778193.69	545074.38
SPH	2097640.66	3345442.69	2408998.71
Sphinganine	6404912.77	7109191.69	7915560.45
Sphingosine (d18:1)	13219861.48	7778444.16	11615775.90
SPK	8340045.76	8284048.89	12937825.06
Stearamide	2324502455.85	1065618171.81	1772112720.43
Stearoyl ethanolamide	48232370.77	11841121.11	11412725.86
Stevioside	6085589.36	7289336.41	6328483.72
Stiripentol	3857172.43	3329590.13	3994595.13
Styrene	267880381.09	45883995.47	64489894.12
Sulfamethoxazole	738885.70	1466695.09	619517.34
T-2 Triol	2148548.24	2436828.94	1899676.27
Taurochenodeoxycholic Acid (sodium salt)	5428701.14	3516785.13	5383217.03
Taurocholic acid	7280650.29	7981180.83	7595772.60
Taurodeoxycholic acid	10993563.97	11110920.21	11909784.14
Tauroursodeoxycholic acid	5920443.88	5818755.20	6295365.05
Temazepam-d8	2444355.57	1545479.17	2316435.06
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate	12043777.68	13140830.84	7260054.79
Testosterone	2112459.68	1519718.27	1264632.21
Testosterone undecanoate	5669955.87	5270923.41	2224129.65
Tetrahydrocorticosterone	3236007.57	6196240.60	2635857.82
Tetrahydrocortisone	1925626.48	2006163.31	12139071.21
Tetramethylpyrazine	2779086.60	740882.20	1019930.11
Tetranor-12(S)-HETE	13644317.21	7264784.45	33891964.90
THC	7561089.27	10950748.72	7962310.97
Theophylline	1806779.28	1771923.38	1719448.46
Thiamine	71254319.47	17495712.77	45006536.48
Thr-Leu	176258391.91	80563111.82	129265051.20
Thromboxane B2	2186047.40	1685013.65	2387599.07
Thromboxane B2-biotin	846043.79	1035287.46	846044.81
Thymine	99721503.35	49382957.08	44934528.87
Thymopentin	7144676.29	4905906.89	1136809.36
Tiglic acid	74476536.19	75674285.44	45479335.88
TLH	5638225.35	5024456.06	11022135.28
TLK	2049590.38	1530975.60	3411236.21
TMK	1965161.16	3063843.96	1226183.63
TNH	10268317.15	13140770.12	14922699.92
Tomatidine	11758474.71	10788638.80	4248671.65
TQH	2428811.62	1700399.39	1877527.46
Tramadol N-Oxide	1016831.23	1980159.22	1021302.35
trans-4-Phenyl-4-piperidinocyclohexanol	16048580.58	17524538.75	18822950.06
trans-Cinnamaldehyde	13222858.02	13694080.53	10052983.82
Triethanolamine	468967.81	2155358.11	726863.82
Trigonelline	49016117.72	46292098.77	53242758.35
Tris(2-carboxyethyl)phosphine	911833.58	683031.46	634904.02
Tropine	37213873.53	24305447.87	15306132.98
Tyramine	68600155.69	49341419.07	21824260.96
Tyr-Tyr	6958021.00	11456954.34	10675588.25
Undecanedioic acid	27624711.66	29048132.73	28046125.46
UR-144 N-(5-Chloropentyl) analog	1610342.14	1777149.64	1152764.71
Uracil	115522749.03	61581348.43	117765757.05
Urocanic acid	6145551.62	2108105.40	3335585.04
Valerophenone	5965951.30	11676167.54	7289979.00
Valylproline	141241477.48	118724242.59	113075967.54
Vanillin	5968824.67	6144877.37	5410914.65
Verapamil hydrochloride	2287558.10	1586112.42	1567897.77
Veratramine	1253624.00	922975.97	1503090.21
Verrucarol	4409384.91	5162065.92	3372201.95
Vindoline	1438680.07	3136288.71	982681.55
Vitamin B2	3451523.64	7418019.93	2787654.26
Vitamin E Acetate	3013740.30	2164401.68	896635.61
Vitexin	3208620.70	2360426.27	1988371.33
VLH	228835.70	69768.25	1080622.53
VLK	830815.94	354007.09	1415429.16
VMH	2053072.32	1615151.75	1740681.38
VMK	2225558.12	2067369.12	3798538.02
VNH	2343826.70	1198008.06	1254828.62
VNK	3143799.26	2828488.99	7239262.16
VPH	5728000.99	4758671.10	10949021.63
VQH	5257193.36	3065124.51	8784758.62
WKK	4742301.90	9625364.49	2893626.10
WLK	1779110.83	911107.30	1144628.80
WNK	5179181.45	5578083.14	6868808.02
WPH	6081514.83	3696173.07	3662632.45
Xanthine	338878376.17	104089747.69	195971466.88
XLR11 N-(2-fluoropentyl) isomer	17497255.11	1802818.16	5095188.08
XLR11 N-(4-hydroxypentyl) metabolite	6557996.44	1022699.70	1399135.19
¶ÿ-Hydroxynorfentanyl	1002844.41	833590.30	651651.60
YLH	615241.88	719262.21	406379.09
YLK	1933250.45	2972669.75	3761426.78
YMK	1545534.92	1526386.86	958729.57
YNH	1612060.08	1423465.97	1062707.92
YNK	462382.34	110072.76	232047.25
YPH	1636473.93	2532876.32	2028425.35

Factors:

F1	Sample source:human_stool \| Treatment:post-4-week cholestyramine
F2	Sample source:human_stool \| Treatment:pre-4-week cholestyramine
F3	Sample source:human_stool \| Treatment:ursodeoxycholic acid