Data for (Study ST004138)

(Analysis AN006860)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Metabolite	F1	F2	F3
¶¥-Aminobutyric acid (GABA)	1.1825	0.8500	0.9625
¶¥-L-Glutamyl-L-glutamic acid	0.9936	0.7893	1.4614
10b-methyl-1,5,6,10b-tetrahydroimidazo[2,1-a]isoquinolin-2(3H)-one	1.9009	0.2819	0.7673
10-Undecenoic acid	1.1458	1.1623	0.3688
(+/-)11(12)-DiHET	1.0281	0.9948	0.9561
11-Deoxy prostaglandin F1¶¡	1.0231	0.9836	0.9898
11-Deoxy prostaglandin F1¶¬	1.3326	0.7676	0.8443
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid	0.8449	1.1489	0.9862
11-Epiprostaglandin E1	2.1776	0.2799	0.2301
11-Ketoetiocholanolone	0.5063	0.9968	1.9729
11(Z),14(Z),17(Z)-Eicosatrienoic acid	0.9168	0.6374	1.9352
(+/-)12(13)-DiHOME	2.1420	0.3588	0.1318
1,2,3,9-tetrahydro-4H-carbazol-4-one oxime	1.2210	0.6510	1.3111
1,2-di(3,4-dimethoxyphenyl)diaz-1-ene	1.0936	1.0385	0.7348
1,2-dihydroxyheptadec-16-yn-4-yl acetate	0.9559	1.0294	1.0237
1-(2-furyl)pentane-1,4-dione	1.1584	0.9208	0.8589
12-Oxo phytodienoic acid	0.9745	1.2055	0.6120
1-(2-pyridin-2-yldiazenyl)-2-naphthol	0.0895	2.2536	0.1108
(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid	1.0442	0.9832	0.9491
1-(3,4-dimethoxyphenyl)ethan-1-one oxime	0.9597	1.1889	0.6765
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine	1.1642	1.0229	0.6300
(°¿)13-HpODE	0.8700	0.5472	2.2190
13-HPODE	1.1003	0.9721	0.8633
1-[(3S)-3-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-phenoxyethanone	1.1596	0.8353	1.0387
1-[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]-3-methoxy-1-propanone	1.3249	0.7612	0.8731
13(S)-HOTrE	1.0077	1.1956	0.5683
1-(4-benzylpiperazino)-2-(pyridin-2-ylamino)propan-1-one	1.0995	1.2291	0.3172
1-(4-bromophenyl)-2-phenylethan-1-one	0.9978	1.0137	0.9751
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one	0.9789	1.1237	0.7777
1,4-dihydroxyheptadec-16-en-2-yl acetate	0.8940	1.3600	0.4404
1-(4-fluorophenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]piperazine	1.2295	0.9243	0.7122
1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one	0.9949	0.9518	1.1127
1-(4-Methoxyphenyl)-2-propanone	0.9047	1.2784	0.5933
1-(4-methylphenyl)-3-(2-pyridylthio)pyrrolidine-2,5-dione	0.1621	2.1196	0.2542
1-(4-methylphenyl)-3,5-diphenylpent-2-ene-1,5-dione	1.3396	0.7690	0.8277
1-[5-(2-phenyleth-1-ynyl)-2-thienyl]ethan-1-one oxime	0.8852	0.7793	1.6949
1-(5,7-dichloro-2,3,4,4a-tetrahydro-1H-xanthen-4-yl)pyrrolidine	1.5085	0.5316	1.0029
15-Acetyldeoxynivalenol	0.5205	0.4647	3.0785
15-Deoxy-¶§12,14-prostaglandin A1	1.7309	0.7353	0.1339
15-Deoxy-¶§12,14-prostaglandin J2-2-glycerol ester	0.7569	1.3690	0.6896
15-epi Cloprostenol	0.9252	0.7048	1.7752
16,16-Dimethyl prostaglandin A1	0.9759	1.0292	0.9850
16-Heptadecyne-1,2,4-triol	0.7198	1.5319	0.4150
16¶¡-Hydroxydehydroepiandrosterone	0.8401	1.2139	0.8572
1-(6-methyl-3-pyridyl)ethan-1-one O1-ethyloxime hydrochloride	1.3344	0.8006	0.7704
16(R)-HETE	1.0075	0.9500	1.0917
17-AAG	1.7406	0.5686	0.4700
17alpha-Ethinyl estradiol	1.0843	0.9484	0.9449
1,7-bis(3,4-dihydroxyphenyl)heptan-3-one	1.1401	0.9299	0.8753
1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one	1.9385	0.3650	0.5167
1,8-Diazabicyclo [5.4.0]undec-7-ene	1.7292	0.5087	0.6200
19-Nortestosterone	1.4364	0.7422	0.6955
19(R)-hydroxy Prostaglandin E2	1.2350	1.0892	0.3502
1-adamantyl(piperidino)methanone	1.1718	0.9554	0.7588
1-Aminocyclohexanecarboxylic acid	1.2093	0.7828	1.0531
1-benzyl-4-(4-nitrophenyl)piperazine	0.1752	2.1006	0.2689
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one	0.9473	1.0631	0.9686
(1E)-5-hydroxy-1,7-diphenylhept-1-en-3-one	1.3369	0.8085	0.7487
1H-indol-3-yl(pyridin-2-yl)methanol	0.2481	1.7163	0.9451
1-Methylhistidine	1.0644	1.0653	0.7347
1-Methylxanthine	1.2132	1.0066	0.5688
1-morpholino-3-(4-nitrophenoxy)propan-2-ol	0.6804	1.1076	1.3961
1-Naphthol	1.5344	0.5389	0.9368
1-Palmitoylglycerol	0.9133	0.9748	1.2234
1-Palmitoyl-Sn-Glycero-3-Phosphocholine	1.3556	0.7150	0.9113
1-Phenyl-3-methyl-5-pyrazolone	1.1790	0.9033	0.8557
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine	1.4692	0.6050	0.9236
(1R,2S,3R,4R)-3-(Isobutylamino)-4-(3-pyridinyl)-1,2-cyclopentanediol	0.9287	0.7200	1.7361
1-Stearoylglycerol	1.0389	0.9331	1.0663
20-Carboxy-Leukotriene B4	0.8831	1.2346	0.7289
2-(14,15-Epoxyeicosatrienoyl) glycerol	0.6970	0.7773	2.0674
2-(1H-benzimidazol-2-yl)-N-[4-(benzyloxy)phenyl]benzamide	1.0163	0.8377	1.3137
2-(1H-indol-3-yl)acetic acid	1.4618	0.7579	0.6121
2-{2-[(1-methyl-1H-pyrazol-5-yl)amino]-2-oxoethoxy}acetic acid	1.2937	0.8696	0.7033
2-[2-(2-pyridyloxy)ethoxy]pyridine	1.0439	0.7419	1.4640
2-{[2-(3-cyano-2-pyridinyl)hydrazino]carbonyl}benzoic acid	0.1146	1.9193	0.7737
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one	0.9806	1.2863	0.4280
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid	0.8654	1.0732	1.1073
2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile	0.6644	0.5491	2.6172
2,2-dimethyl-6,7-di[(4-nitrobenzyl)oxy]chroman-4-one	0.7161	0.6248	2.3547
2-(2-hydroxy-3-methylbutanamido)-4-methylpentanoic acid	0.7302	1.3419	0.7995
2-(2-hydroxyphenyl)-3,4-dihydroquinazolin-4-one	1.5109	0.6685	0.7066
2-(2-oxo-2-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}ethoxy)acetic acid	1.1536	0.6790	1.3834
2-[2-oxo-2-(2-pyridylamino)ethoxy]acetic acid	0.8025	1.1665	1.0317
22(S)-Hydroxycholesterol	1.3136	0.7873	0.8396
2,3,5,6-Tetramethylpyrazine	2.4101	0.1098	0.1376
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid	1.2120	0.9650	0.6599
2,3-Dihydroxybenzoic acid	1.1306	1.0409	0.6574
2,3-dihydroxypropyl 12-methyltridecanoate	0.9975	1.1235	0.7418
2,3-Dinor-11¶¬-prostaglandin F2¶¡	1.0422	0.9993	0.9189
2,3-Dinor-TXB2	0.9123	0.9309	1.3187
2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolan-5-yl]acetic acid	0.6961	1.6946	0.1147
23-Nordeoxycholic acid	1.0587	1.0404	0.7991
2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1H-benzimidazole	1.0663	1.1349	0.5830
2-[(3S)-1-(4-Chlorobenzyl)-3-pyrrolidinyl]-1-methyl-1H-benzimidazole	0.9037	1.1387	0.8930
2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole	0.7737	1.3290	0.7419
2-(3-thienylcarbonyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile	0.8484	1.2192	0.8295
2-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}isoindoline-1,3-dione	1.2503	0.6604	1.2338
2,4-Dihydroxybenzoic acid	1.0455	1.2447	0.3896
2,4-dihydroxyheptadec-16-en-1-yl acetate	1.1955	0.9078	0.8139
2,4-Dimethylbenzaldehyde	1.2270	0.8658	0.8418
2-[4-(methylsulfonimidoyl)phenoxy]-5-nitropyridine	1.5791	0.8613	0.1623
2-{4-[(trifluoromethyl)thio]phenoxy}ethanohydrazide	1.7633	0.3889	0.8084
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid	2.0287	0.3887	0.2897
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid	1.1442	0.3563	2.0893
2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol	1.3457	0.3033	1.8081
2,6-Di-tert-butyl-1,4-benzoquinone	0.9396	1.1506	0.7973
2,6-Xylidine	1.9376	0.3612	0.5264
2,7,7-trimethyl-5,6,7,8-tetrahydroquinolin-5-one oxime	1.9753	0.4011	0.3677
2-acetamido-3-(4-methoxyphenyl)propanoic acid	1.3102	0.8771	0.6549
2-Amino-1,3,4-octadecanetriol	1.3698	1.0059	0.2641
2-Amino-1,3-octadecanediol	1.4231	0.9330	0.3149
2-Aminoadipic acid	1.0296	1.0991	0.7311
2-Aminopimelic acid	1.1460	0.8450	1.0446
2-Arachidonoyl glycerol	1.4280	0.6302	0.9503
2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazole	1.4874	0.4740	1.1670
2-(carboxymethoxy)-4-methoxybenzoic acid	1.2783	0.7953	0.8916
2-[(carboxymethyl)(methyl)amino]-5-methoxybenzoic acid	0.8888	1.0030	1.2112
2-chloro-6-{4-[(4-hydroxypiperidino)sulfonyl]phenoxy}benzonitrile	1.5519	0.4870	1.0131
2-chloro-N-[4-(4-methylpiperazino)phenyl]benzamide	0.8200	1.1456	1.0419
2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid	1.3557	0.8195	0.6886
2-cyano-N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)benzenesulfonamide	0.7323	1.1124	1.2842
2-(cyclopropylimino)-3-(2-thienylmethyl)-1,3-thiazolan-4-one	0.8045	0.8655	1.6692
2^-Deoxyadenosine	1.6863	0.7256	0.2418
2-Deoxyuridine	1.0533	0.7950	1.3326
2-((Dimethylamino)methyl)phenol	0.8158	1.3254	0.6672
(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid	1.5873	0.5382	0.8346
(2E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide	1.4125	0.6744	0.8865
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide	1.0601	0.9618	0.9637
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide	0.5265	0.6032	2.7717
2-hydroxy-3,6-diphenylcyclohexyl acetate	0.8190	1.2245	0.8758
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid	1.9252	0.3716	0.5287
2-Hydroxycinnamic acid	1.1035	0.7807	1.2646
2-Hydroxyhippuric acid	1.2720	0.8953	0.6908
2-Hydroxyphenylalanine	1.8208	0.5272	0.4013
2-Linoleoyl glycerol	1.7173	0.5705	0.5116
2-Methoxyestradiol (2-MeOE2)	1.4215	0.7328	0.7445
2-Methoxyresorcinol	0.9762	1.0307	0.9811
2-methyl-1,2-dihydrophthalazin-1-one	1.2703	0.8394	0.8133
2-{[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene}malononitrile	0.9645	1.1149	0.8247
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one	1.3784	0.7657	0.7587
2-Methylbutyl beta-D-glucopyranoside	1.4662	0.7011	0.7246
2-Methylbutyroylcarnitine	1.0052	1.2664	0.4223
2-Methylpentanedioic acid	1.0487	0.9924	0.9208
2-morpholino-1-phenyl-1-ethanol	0.9157	1.1726	0.7971
2-oxa-4-azatetracyclo[6.3.1.1~6,10~.0~1,5~]tridecan-3-one	1.4017	0.8732	0.4841
2-Oxindole	0.9104	1.0911	0.9812
2-oxopiperidine-3-carbohydrazide	1.1982	0.7313	1.1847
2-phenyl-4H-furo[2,3-h]chromen-4-one	0.7943	0.6142	2.2244
2-Phenylacetamide	1.0820	0.9632	0.9180
2-Phenylbenzimidazole	2.0542	0.3456	0.3314
2-Phenylglycine	1.1864	0.7199	1.2321
2-piperidinobenzoic acid	1.5988	0.6560	0.5613
2-Pyridylacetic acid	1.1394	0.9068	0.9258
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid	0.8170	1.2897	0.7408
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triol	1.2212	0.8468	0.8935
(2S)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one	1.4655	0.5554	1.0365
2-Styryl-1,3-benzoxazole	1.1872	0.7287	1.2118
2-(tert-butyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one	0.9860	0.8865	1.2692
2-Thio-acetyl MAGE	1.3993	0.5556	1.1655
3,14-dihydro-15-keto-tetranor Prostaglandin E2	0.9362	1.1862	0.7280
3-(1-benzylpiperidin-4-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine	1.3268	0.7811	0.8269
3-[1-(dimethylamino)-1H-pyrrol-2-yl]-2-(2-furylcarbonyl)acrylonitrile	1.2215	0.9861	0.5963
3-(1H-benzo[d]imidazol-2-yl)-6-ethyl-7-hydroxy-4H-chromen-4-one	1.2474	0.6812	1.1952
3-[2-(2-pyridyl)ethyl]-2-thioxoimidazolidin-4-one	1.6192	0.6376	0.5607
3-(2-Hydroxyethyl)indole	1.3388	1.0204	0.2936
3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	0.9947	0.9963	1.0182
3-(2-Naphthyl)-D-Alanine	1.3146	0.8237	0.7600
3,3,5-trimethyl-3H,11H-pyrano[3,2-a]carbazole	0.6279	1.5086	0.6445
3-(3-pyridinyl)propanoic acid	1.1289	0.9285	0.9000
3^,4^-Dihydroxyphenylacetone	1.3059	0.7639	0.9045
3-(4-ethoxyphenyl)-2-(tetrahydro-1H-pyrrol-1-ylcarbonyl)acrylonitrile	1.5772	0.6071	0.7076
3-(4-hydroxy-3-methoxyphenyl)propanoic acid	1.0024	1.1506	0.6745
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	1.1991	1.0109	0.5872
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid	0.7122	1.2581	1.0131
3-(4-pyridylmethylidene)chroman-4-one	1.3145	0.6054	1.2253
3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one	1.0712	0.9521	0.9627
3^,5,7-Trihydroxy-4^-methoxyflavanone	1.6691	0.7077	0.3137
3-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-1-methyl-1H-pyrazol-5-amine	0.7737	1.3512	0.6945
3-(5-phenyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)pyridine	0.9210	0.3684	2.5000
3-Acetoxyurs-12-en-23-oic acid	0.7216	1.3521	0.7947
3-Acetyl-11-keto-¶¬-boswellic acid	1.2213	0.8602	0.8650
3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione	0.9077	1.1564	0.8473
(3beta,9xi)-3-(beta-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide	0.6197	1.5775	0.5136
3-(dimethylamino)-1-(5-methyl-3-phenyl-4-isoxazolyl)-2-propen-1-one	1.4557	0.6340	0.8881
3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one	1.1585	1.0330	0.6195
3-hydroxy-1,5-diphenylpentan-1-one	1.1496	0.9680	0.7754
3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile	1.1432	1.1285	0.4459
3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile	1.2793	0.8145	0.8488
3-hydroxy-3-methylpentanedioic acid	1.0837	0.3358	2.2513
3-Hydroxylidocaine	1.9753	0.3986	0.3730
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide	1.3257	0.7873	0.8161
3-Hydroxypicolinic acid	1.3198	0.8397	0.7158
3^-Hydroxystanozolol	1.4784	0.7255	0.6489
3-Indoleacrylic acid	1.0342	0.9895	0.9554
3-Methoxybenzaldehyde	0.9761	1.1609	0.7041
3-Methoxycinnamic acid	1.1306	0.8462	1.0723
3-Methoxytyramine	1.0485	0.9809	0.9458
3-methyl-5-phenylpyridazine	1.2558	0.8241	0.8744
3-Methylcrotonylglycine	1.0539	0.9889	0.9182
3-Methylindole	1.1216	0.9072	0.9599
3-pentadecyl-4,5,6,7-tetrahydrobenzo[d]isoxazol-4-one oxime	0.6899	1.3976	0.7595
(3S,9aS)-3-benzyl-octahydro-1H-pyrido[1,2-a]pyrazin-1-one	0.7212	1.5635	0.3451
4-(1H-pyrazol-1-yl)-N,N-bis(2-pyridinylmethyl)benzenesulfonamide	1.3242	0.0839	2.3174
4-{2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl}benzonitrile	1.1462	0.9174	0.8900
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid	1.1627	0.8540	0.9927
4-{3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl}benzene-1,2-diol	1.1003	0.9919	0.8211
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid	1.2900	0.8879	0.6714
4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine	0.9744	1.0453	0.9534
4-(3,4-dimethylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one	1.6598	0.7183	0.3093
4-(4-methoxyphenyl)-2-(methylthio)pyrimidine	1.4860	0.8711	0.3238
4-(5-propyl-2-pyridyl)benzonitrile	0.7620	1.4340	0.5411
4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile	1.2240	0.9838	0.5961
4-Acetamidobutyric Acid	0.9974	0.9233	1.1686
4-(allyloxy)-1,2-dihydroquinolin-2-one	1.3761	0.8110	0.6668
4-(benzoylamino)-3-hydroxybutanoic acid	1.1691	1.1487	0.3522
4-chloro-5-morpholino-2-quinoxalin-2-ylpyridazin-3(2H)-one	0.7869	1.2566	0.8704
4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrate	0.6763	1.2497	1.1014
4-Deacetylneosolaniol	0.8139	1.1988	0.9406
4-(Diethylamino)salicylaldehyde	1.3329	0.7725	0.8333
4-Guanidinobutanoic acid	1.3343	0.5312	1.3447
4-Guanidinobutyric acid	1.3270	0.6169	1.1764
4-Hexyloxyaniline	1.2091	1.2107	0.1421
4-hydroxy-5,8-dimethylquinoline-3-carboxylic acid	1.0218	0.6459	1.7118
4-Hydroxybenzaldehyde	1.0507	0.8670	1.1840
4-Hydroxyindole	1.2706	0.9010	0.6814
4-Hydroxypropranolol	1.5028	0.7125	0.6287
4-Hydroxyquinoline	1.0956	0.7600	1.3242
4-Hydroxyretinoic Acid	0.9448	1.0382	1.0267
4^-Methoxyacetophenone	1.3541	0.8026	0.7279
4-Methoxybenzaldehyde	1.1156	0.9423	0.8968
4-Methoxycinnamaldehyde	0.8819	1.3953	0.3888
4-Methoxycinnamic acid	0.8115	1.3308	0.6640
4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-1,3-dione	0.3249	1.8867	0.4318
4-methyl-5-phenoxy-6-piperidino-2-(trifluoromethyl)pyrimidine	1.8093	0.4768	0.5313
4-Methyl-5-thiazoleethanol	1.2783	0.8512	0.7726
4-methylphenyl 1-ethyl-3-methyl-1H-pyrazole-5-carbothioate	1.0840	0.8840	1.0828
4-(methylthio)-6-phenyl-2-(3-pyridyl)pyrimidine-5-carbonitrile	1.1285	0.1773	2.5014
4-Methylvaleric Acid	0.9925	1.0156	0.9816
4-morpholinobenzoic acid	1.3334	1.0834	0.1699
4-Nitrosodiphenylamine	1.3472	0.8304	0.6819
4-OHE2-1-N7Gua	0.9383	0.8863	1.3629
4-oxo-5-phenylpentanoic acid	0.9317	1.2042	0.6986
4-oxododecanedioic acid	1.0385	0.8760	1.1888
4-(pentyloxy)benzene-1-carbohydrazide	1.6487	0.6259	0.5277
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	1.5995	0.5605	0.7634
4-Phenyl-3-buten-2-one	0.8589	1.1403	0.9773
4-Phenylbutyric acid	1.4751	0.6225	0.8747
4-Pregnen-17alpha,20alpha-Diol-3-One	0.8543	0.9572	1.3763
4-Pyridoxic acid	1.1105	1.0978	0.5753
4-styrylpyridine	1.4534	0.7447	0.6567
4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate	1.0376	1.1267	0.6564
5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diol	1.5166	0.5919	0.8586
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid	1.2228	0.7956	0.9996
5,5-dimethyl-3-morpholinocyclohex-2-en-1-one	0.7335	1.4360	0.5925
5,6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one	0.5155	1.3824	1.1333
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid	1.6962	0.7408	0.1900
5,6-Dimethylbenzimidazole	1.3997	0.7809	0.6847
5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine	0.9418	0.9790	1.1585
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	0.8654	1.2955	0.6338
5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one	1.1217	0.6595	1.4874
5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-one	0.8600	1.0468	1.1742
5-allyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile	1.3007	0.8342	0.7649
5-amino-1-(4-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide	0.6204	1.6930	0.2664
5-amino-2-(dimethylamino)benzoic acid	1.6708	0.5019	0.7488
5^-Deoxy-5^-(Methylthio)Adenosine	0.9604	0.8888	1.3143
5¶¡-Dihydrotestosterone	2.1825	0.2839	0.2119
5-Fluoro-2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1H-benzimidazole	1.0955	1.0980	0.6045
5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite	1.5804	0.7342	0.4308
5-fluoro AKB48 N-(4-hydroxypentyl) metabolite	0.7332	1.2634	0.9608
5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one	1.4020	0.8377	0.5594
5-Hydroxyindole	1.0372	0.9054	1.1288
5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-one	0.9897	1.0976	0.8122
5-Hydroxyomeprazole	0.8821	1.2385	0.7227
5-Hydroxytryptophol	1.3470	0.8647	0.6093
(5-L-Glutamyl)-L-Amino Acid	0.8731	0.6636	1.9650
5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one	0.9658	0.8636	1.3576
5-Methoxyindoleacetic acid	1.2608	0.8234	0.8661
5-Methyl-2^-deoxycytidine	0.8794	1.1028	1.0169
5-methyl-N^-[3-(trifluoromethyl)benzoyl]-3-isoxazolecarbohydrazide	1.4641	0.5532	1.0438
5-Methyluridine	0.8973	0.8371	1.5479
5-morpholino-2,4(1H,3H)-pyrimidinedione	0.8642	0.6634	1.9829
5-OxoETE	1.4143	0.6573	0.9195
5-Phenylvaleric Acid	0.7285	1.3570	0.7707
5¶¡-Pregnan-3,20-dione	1.0148	1.1477	0.6562
5(S)-HpEPE	1.3176	0.6846	1.0507
5^-S-Methyl-5^-thioadenosine	0.0734	2.3116	0.0187
5-trans prostaglandin F2¶¬	0.9439	1.2413	0.5956
6-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}-2-pyridinecarbonitrile	1.0162	0.8160	1.3602
6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran-2-one	0.8385	1.3691	0.5297
6-(4-phenylpiperazino)hexanoic acid hydrochloride	0.9245	1.2555	0.6034
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-thione	1.0653	1.0209	0.8278
6,7,8-trimethoxy-2-(2-phenoxy-3-pyridyl)-4H-3,1-benzoxazin-4-one	0.9319	0.6067	1.9711
6-(7-methyloctyl)-1H,3H,4H,6H-furo[3,4-c]furan-1-one	1.2518	0.9204	0.6769
6-Acetylmorphine	1.4419	0.9849	0.1677
6-cyclohex-3-enyl-5-nitropiperidin-2-one	1.2169	0.9289	0.7270
6-Deoxy-D-glucose	1.1214	0.6221	1.5674
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol	1.4356	0.7481	0.6845
(6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one	1.4075	0.8449	0.5332
6-Hexanoyl-D-erythro-sphingosine	1.2125	1.0177	0.5465
6 ¶¬-Hydroxycortisol	1.3145	0.8802	0.6399
6-Hydroxymelatonin	1.0934	0.8307	1.1779
6-Hydroxynicotinic acid	1.2058	0.9681	0.6654
6-Ketoprostaglandin F1¶¡	1.1712	0.8647	0.9533
6-methyl-4-(morpholinomethyl)-2H-chromen-2-one	0.6231	0.7601	2.2485
6-methyl-7-nitro-2,3-dihydro-1,4-benzodioxine	1.1988	1.0387	0.5285
6-Methylnicotinamide	1.1398	1.0255	0.6721
6-Methylquinoline	1.4306	0.7727	0.6419
6-Pentyl-2H-pyran-2-one	0.8898	1.2898	0.5981
6-phenyl-1,2,3,4-tetrahydro-2,5-benzodiazocin-1-one	0.8546	0.8822	1.5356
7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine	0.9316	0.8764	1.3971
7-(2-aminophenyl)heptanoic acid	1.3501	0.5956	1.1767
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one	0.7619	1.2369	0.9612
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol	0.9796	0.9854	1.0711
7-Aminoclonazepam-d4	1.3979	0.7205	0.8170
7-hydroxy-6-methoxy-2H-chromen-2-one	1.0559	1.0545	0.7746
7-Ketocholesterol	2.0586	0.2725	0.4787
7-Ketolithocholic acid	1.0672	0.9220	1.0346
7-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indole	1.2839	0.7995	0.8718
7-Methylguanine	1.4812	0.6211	0.8658
7-methylpyrimido[4,5-d]pyrimidin-4-amine	0.9688	1.0395	0.9768
8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one	1.3145	0.6512	1.1279
8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one	1.1933	0.9232	0.7856
8-Aminooctanoic acid	1.4052	0.7981	0.6373
(°¿)8-HEPE	1.3127	0.8748	0.6549
8-Hydroxyquinoline	1.1940	0.8737	0.8896
(9cis)-Retinal	0.9733	0.9918	1.0697
9-HOTrE	1.0676	1.0501	0.7611
9-Oxo-10(E),12(E)-octadecadienoic acid	0.9726	1.3777	0.2490
9-Oxo-ODE	1.6173	0.6848	0.4637
Acetanilide	1.2000	0.8714	0.8827
Acetophenone	1.9946	0.4708	0.1815
Acetylcholine	0.8687	1.0089	1.2380
Acetyl-L-carnitine	1.7444	0.4948	0.6199
Acid Orange 156	1.1764	0.7861	1.1105
Adenosine	0.6747	1.3592	0.8712
Adenosine 3^5^-cyclic monophosphate	0.2550	0.3563	3.8290
Adenosine 5^-monophosphate	1.2139	0.9883	0.6064
Adipamide	0.9393	1.2943	0.4916
Adrenosterone	0.8212	1.1495	1.0313
Aflatoxin B1	0.4376	0.3829	3.4151
Aflatoxin G1	1.0705	0.8909	1.0946
Aflatoxin M1	1.7022	0.5483	0.5884
Agmatine	0.6264	1.5694	0.5179
AKB48 N-(4-fluorobenzyl) analog	0.8723	0.8840	1.4971
AKK	0.9248	0.8896	1.3823
AL 8810 Methyl ester	1.3973	0.7734	0.7053
Ala-Gln	1.0520	0.6447	1.6551
Ala-Ile	1.2370	0.6942	1.1878
Ala-Leu	0.7145	1.1822	1.1704
Alanyltyrosine	0.5730	1.3495	1.0908
Ala-trp	1.1802	0.6759	1.3380
Ala-Val	1.1698	0.6414	1.4318
ALK	1.2479	0.5130	1.5523
All-Trans-13,14-Dihydroretinol	2.0305	0.2717	0.5355
Aloesin	0.9819	1.0260	0.9802
alpha-Farnesene	1.3248	0.8127	0.7635
Alternariol	1.1343	0.9344	0.8769
AMK	0.8710	1.2763	0.6637
Amphetamine	1.2053	1.1886	0.1965
Anacardic acid	0.9574	1.1093	0.8506
Anandamide (AEA)	1.8824	0.4872	0.3661
Andrographolide	1.2857	0.8141	0.8370
Androsterone	1.2516	0.9488	0.6169
ANH	0.8780	1.3503	0.4925
ANK	0.8478	1.3677	0.5145
APH	0.6509	1.0813	1.5099
APK	1.2279	0.6123	1.3801
Apocynin	1.3725	0.8498	0.5911
Arachidonic acid methyl ester	1.1780	0.9335	0.7935
Arachidonoyl amide	1.4387	0.7200	0.7383
Arachidonoyl serinol	1.3338	0.8150	0.7410
Arecoline	1.1821	0.7817	1.1090
Artemisinin	0.9814	0.9763	1.0870
¶¡-Aspartylphenylalanine	1.0112	0.7325	1.5480
Asp-Glu	1.1304	0.6761	1.4349
Asp-Phe methyl ester	1.2050	0.6838	1.2725
Avocadyne 1-acetate	1.4547	0.7144	0.7190
Azaspiracid-1	1.2715	0.8380	0.8139
Azetidine-2-carboxylic acid	1.1390	1.0081	0.7109
Azilsartan	0.9814	1.0717	0.8836
Berberine	1.9739	0.5331	0.0891
beta-Nicotinamide adenine dinucleotide phosphate	1.1506	0.9597	0.7913
Betulin	2.2729	0.1842	0.2476
Bialaphos	1.3718	0.7086	0.8933
Bicine	0.8712	1.1304	0.9742
Bicyclo prostaglandin E2	1.1802	0.8651	0.9347
Bilirubin	1.2721	0.8311	0.8275
Biliverdin	1.1095	0.9428	0.9075
Bis(3,5,5-trimethylhexyl) phthalate	1.0831	0.8900	1.0718
Bisphenol M	1.3548	0.8501	0.6251
Boc-beta-cyano-L-alanine	0.9965	1.1916	0.5986
Boldione	0.9846	1.2620	0.4719
Bosentan	0.9527	1.2321	0.5980
Bz-RS-ISer(3-Ph)-Ome	2.0005	0.3577	0.4108
C-6 NBD ceramide	1.3868	0.8757	0.5080
C-8 Ceramide-1-phosphate	1.2956	0.6900	1.0821
Cadaverine	1.2016	1.1476	0.2912
Cafestol	1.4055	0.8720	0.4792
Caffeine	0.7139	1.2572	1.0118
(-)-Camphor	1.0796	1.1838	0.4528
(+/-)-Cannabichromeorcin	1.0023	1.0070	0.9806
Cannabidiolic acid	1.5342	0.5893	0.8299
Caprolactam	1.9664	0.3800	0.4300
Carbaprostacyclin	1.0754	1.0746	0.6935
Carbofuran	1.8767	0.4138	0.5335
Carvone	1.2519	0.9063	0.7067
(-)-Caryophyllene oxide	1.8959	0.4607	0.3961
Catechin	0.9638	1.0465	0.9719
Chlorogenic acid	1.3036	0.6388	1.1756
Cholecalciferol	1.8913	0.4428	0.4431
Cholest-4-en-3-one	0.9475	1.0556	0.9843
cholesteryl sulfate	0.9534	1.1473	0.7774
Choline	1.7982	0.4884	0.5282
Cinchonidine	0.9756	1.0699	0.8989
Ciprostene	1.1845	0.9549	0.7350
cis-4-Hydroxy-D-proline	0.7135	1.5126	0.4683
cis-7-Hexadecenoic Acid	0.7600	1.6445	0.0965
cis-gondoic acid	1.8721	0.4600	0.4443
cis-Resveratrol	2.0787	0.3950	0.1784
Citral	0.9348	1.0349	1.0533
CKK	0.9291	0.6852	1.8092
Clinafloxacin	1.3791	0.7834	0.7196
Cnidioside A	1.2134	0.6783	1.2679
Coenzyme Q2	1.3722	0.8699	0.5490
Coniine	1.1555	0.5261	1.7055
Corticosterone	1.4753	0.7546	0.5929
Cortisol	1.1243	1.0740	0.5992
Cortisone	1.3002	0.8620	0.7066
Coumarin	1.1055	1.0518	0.6833
(+/-)-CP 47,497-C7-Hydroxy metabolite	1.3837	0.7642	0.7517
Creatine	0.9300	0.8956	1.3594
Creatinine	1.1897	0.6221	1.4339
Cryptotanshinone	1.1587	1.0901	0.4977
Cuminaldehyde	0.8141	1.3496	0.6189
Cyclohexaneacetic acid	0.8483	1.2799	0.7005
Cyclohexanecarboxylic acid	1.0628	1.1802	0.4931
Cyclohexylsulfamate	0.9703	1.0482	0.9554
Cystine	2.2784	0.1834	0.2384
Cytisine	1.4524	0.6208	0.9227
Cytosine	1.2440	0.6742	1.2166
Daidzein	1.1352	1.2143	0.2789
D-Ala-D-Ala	0.7656	1.0779	1.2927
D-(+)-Camphor	1.2152	0.8832	0.8277
Debromohymenialdisine	1.0136	0.7238	1.5619
Decanoylcarnitine	2.1724	0.1830	0.4466
Dehydrocholic acid	0.9710	1.0299	0.9930
Dehydroepiandrosterone (DHEA)	1.7103	0.5947	0.4738
Delta-Tridecalactone	1.2897	0.8837	0.6809
Deoxycorticosterone 21-glucoside	0.8502	1.4432	0.3490
Deoxycytidine	1.0072	0.9343	1.1260
Deoxylimonin	1.3193	0.8194	0.7602
Desloratadine	0.9019	1.0142	1.1618
Desthiobiotin	1.1628	0.9812	0.7216
D-¶ƒ-Tocopherol	1.8572	0.3785	0.6469
dG-C8-IQ	1.3697	0.6332	1.0582
D-Glucose 6-phosphate	1.4821	0.6844	0.7291
DGMG (18:2)	1.0035	0.6953	1.6422
Di(2-ethylhexyl) phthalate	1.2533	0.8204	0.8871
Diaminopimelic acid	1.7260	0.6751	0.2718
Dibutyl sebacate	1.2479	0.9747	0.5687
dihydrotachysterol	0.6955	0.5754	2.5003
dimethyl pyridine-2,5-dicarboxylate	1.0889	0.7963	1.2600
Diosgenin	1.3653	0.9098	0.4773
Diosmetin	0.6139	1.7535	0.1501
Dipropylene glycol dimethyl ether	2.2603	0.2267	0.1817
DL-2-(acetylamino)-3-phenylpropanoic acid	1.5687	0.7809	0.3541
Dl-3-Hydroxy-kynurenine	1.0833	0.9862	0.8663
DL-¶¡-Aminocaprylic acid	0.8102	1.4017	0.5156
DL-Arginine	0.6283	0.7424	2.2760
D,L-Camphor	1.0524	0.9541	0.9952
DL-Glutamine	1.4662	0.6045	0.9305
DLK	1.1240	0.6339	1.5374
DL-Lysine	1.6717	0.5943	0.5501
DL-m-Tyrosine	1.1822	0.8947	0.8680
DL-Panthenol	1.6503	0.4302	0.9417
DL-Stachydrine	0.9830	1.0974	0.8257
DL-¶¡-Tocopherol	0.7565	0.9007	1.6880
D-(+)-Maltose	0.9039	0.1915	2.9103
DMH	1.1911	0.4128	1.8771
DMK	1.0223	1.0854	0.7743
Docosahexaenoyl Ethanolamide	1.2559	0.9643	0.5755
D-Panthenol	1.1363	1.0940	0.5330
DPH	1.0648	0.8612	1.1689
D-Phenylalanine	1.3327	0.8428	0.6841
D-(+)-Pipecolinic acid	1.1398	0.8727	0.9976
DPK	0.9189	1.1072	0.9304
D-(+)-Proline	1.3389	0.6763	1.0265
DRH	1.3943	0.8050	0.6441
D-Sphingosine	1.5189	0.8039	0.4025
D-¶¡-Tocopherol	1.1364	0.9706	0.7959
Ecgonine	1.9276	0.3403	0.5906
Ecgonine methyl ester	1.0093	0.6755	1.6733
Edaravone	1.4942	0.5585	0.9736
Eicosapentaenoic acid	1.0335	1.1596	0.5944
EKK	0.9324	0.7878	1.5843
ELK	1.5019	0.5838	0.9046
EMH	0.8036	0.8952	1.6075
Emodin	0.6799	1.4989	0.5634
ENK	0.8907	1.1439	0.9072
Enrofloxacin	1.0900	1.1527	0.4986
EPH	1.1150	0.1743	2.5340
Epinastine	0.8624	1.2556	0.7246
Epinephrine	1.4028	0.7094	0.8310
Epitestosterone	1.4252	0.6473	0.9196
EPK	1.0031	0.7782	1.4665
(+/-)-Equol	1.0527	0.9819	0.9355
Ergocalciferol	0.8615	1.2846	0.6648
Ergosta-5,7,9(11),22-Tetraen-3-beta-Ol	0.6461	1.5908	0.4337
Ergosterol	1.2456	0.9528	0.6202
Ergosterol peroxide	1.1187	0.9684	0.8350
Erucic acid	1.4493	0.8221	0.5000
Estazolam	0.9194	1.0615	1.0266
Estradiol	0.9621	1.0833	0.8966
Estriol	1.0226	0.9885	0.9803
Estrone	1.1716	1.0229	0.6155
Estropipate	0.9196	1.2844	0.5514
ethyl 1-(2-cyano-3-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylate	1.1797	0.7150	1.2556
ethyl 2-amino-8H-indeno[2,1-b]thiophene-3-carboxylate	2.4033	0.0651	0.2461
ethyl 2-cyano-3-[(2-oxoazepan-3-yl)amino]acrylate	1.6277	0.6474	0.5230
ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate	2.1467	0.0468	0.7873
ethyl 4-[2-(3,4,5-trimethoxybenzylidene)hydrazino]benzoate	1.0888	0.8845	1.0722
ethyl 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylate	1.7284	0.5073	0.6245
Ethyl oleate	0.5122	1.8618	0.1183
Etiocholanolone	1.7401	0.6611	0.2740
Fenpropimorph	1.0631	0.9078	1.0730
Fenvalerate	1.1250	1.2279	0.2699
Ferulic acid	1.6958	0.5137	0.6748
Fexofenadine	1.0111	0.0018	3.1049
FIBF-d7	1.1955	1.1221	0.3574
FKK	1.1704	1.0646	0.5289
FLK	0.8033	0.8875	1.6246
Flunitrazepam-d3	1.7446	0.5749	0.4488
FMH	1.4634	0.6611	0.8154
FMK	0.7818	1.3708	0.6369
FNK	1.5956	0.3760	1.1640
Folic acid	1.4463	0.4589	1.2797
Folinic acid	0.8484	1.3384	0.5757
Formononetin	0.9818	1.0246	0.9833
FPH	1.1512	0.9103	0.8953
FPK	1.7436	0.4669	0.6809
FQH	1.1955	0.9198	0.7884
FRH	1.3922	0.8888	0.4695
Gamma-Glu-Leu	1.4859	0.5398	1.0298
gamma-Glutamyltyrosine	1.2238	0.8009	0.9862
gamma-Nonanolactone	1.1012	1.1862	0.4053
gamma-Tocopherol	1.4671	0.7276	0.6664
Gemifloxacin	1.6574	0.5780	0.6128
GLK	1.5615	0.4171	1.1432
Gluconolactone	0.9062	1.5334	0.0470
Glu-Thr	1.0567	0.5824	1.7788
Glu-Val-Phe	1.0120	0.7964	1.4103
Glycerol 1-hexadecanoate	1.2724	1.0659	0.3266
Glycerophospho-N-palmitoyl ethanolamine	2.1128	0.1676	0.5963
Glycine anhydride	1.1443	0.6834	1.3921
Glycitein	1.4462	0.6564	0.8591
Glycitin	0.7936	1.3138	0.7353
Glycolithocholic acid	2.2554	0.2094	0.2281
Glycyl-L-leucine	1.4983	0.5093	1.0705
Glycylproline	1.0311	0.8566	1.2446
Gly-Phe	0.6683	1.1905	1.2430
Gly-Tyr	0.9412	0.9696	1.1799
Gly-Tyr-Ala	1.1538	0.6213	1.5059
Gly-Val	1.4824	0.5833	0.9439
GPH	0.8500	1.1134	1.0520
GPK	0.9729	0.6656	1.7653
Gramine	1.5656	0.7255	0.4782
Guanidineacetic acid	0.8070	1.3229	0.6898
Guanine	0.9321	0.5497	2.0921
Guvacoline	1.0859	0.8444	1.1633
GW501516	0.8313	1.2875	0.7175
Harmine	1.1530	0.6575	1.4302
Heptadecanoic Acid	1.2971	0.8170	0.8085
HET0016	1.0931	0.9585	0.9063
Hexadecanamide	1.1588	0.2899	2.2020
Hexanoylcarnitine	2.1010	0.3024	0.3322
Histamine	0.6817	1.5434	0.4651
HMK	0.6909	0.6004	2.4561
Homocysteic acid	1.2820	1.0792	0.2794
Homo-Gamma-Linolenic Acid (C20:3)	1.2453	0.9879	0.5459
HRH	0.9630	0.7757	1.5504
H-Tyr(3-I)-OH	0.5316	1.5382	0.7698
Hydrocortisone	1.1759	0.7694	1.1471
Hydrocortisone acetate	0.7822	1.1795	1.0437
Hydroquinone	1.2585	1.0136	0.4652
Hydroxyprogesterone caproate	1.3196	0.8878	0.6139
Hypoglycin A	1.0576	0.9642	0.9635
Hypoxanthine	1.3888	0.4367	1.4395
Icaritin	1.1678	0.9099	0.8637
IKK	1.0592	0.7252	1.4696
ILK	1.0706	1.1495	0.5434
Imidazoleacetic acid	1.0558	0.9921	0.9077
Imidazolelactic acid	1.3237	0.8410	0.7054
IMK	1.0433	1.0367	0.8371
Indole	1.4163	0.9016	0.3951
Indole-3-acetaldehyde	0.9696	1.0329	0.9896
Indole-3-acetic acid	2.2907	0.2264	0.1227
Indole-3-acrylic acid	1.4341	0.6884	0.8144
Indole-3-butyric acid	1.3138	0.6538	1.1236
indoline-2-carboxylic acid	1.1115	1.0506	0.6740
Ingenol-3-angelate	0.8400	1.3153	0.6412
INK	0.8409	0.6894	1.9730
IPH	0.9496	1.3022	0.4547
IPK	1.5252	0.5658	0.8975
Irganox 259	0.9818	1.0203	0.9923
IRH	1.4364	0.8091	0.5527
isoleucine	1.1418	0.7218	1.3152
Isophorone	0.8970	1.2458	0.6778
Isopropyl myristate	1.2057	0.4474	1.7750
Isoproterenol	0.8637	0.8868	1.5078
Isoquinoline	0.9595	0.9493	1.1871
Isorhamnetin	0.8271	0.9438	1.4579
Isotretinoin	1.3721	0.8928	0.5004
Jasmone	1.4024	0.7690	0.7048
Jervine	2.1553	0.2088	0.4253
JNJ-1661010	1.2314	0.7535	1.0723
JWH-018 N-(3-methylbutyl) isomer	0.9874	0.8315	1.3836
Kahweol	0.6779	1.3682	0.8458
Kanosamine	0.8414	1.4486	0.3545
Kasugamycin	0.8641	1.2061	0.8267
Kinetin	1.2063	0.8391	0.9391
Kinetin 9-riboside	0.9963	1.1663	0.6529
KNK	0.9567	0.7472	1.6233
KQH	1.2381	0.9137	0.7180
Kynurenic acid	1.2518	0.9614	0.5894
L-5-Hydroxytryptophan	1.2508	0.8784	0.7684
Lactitol	1.2205	0.7467	1.1081
¶¡-Lactose	0.4202	1.5783	0.9023
L-Adrenaline	1.3322	0.8678	0.6317
L-Alanyl-L-Lysine	1.0508	1.0106	0.8780
L-Alanyl-L-proline	1.2245	0.7959	0.9955
L-(-)-alpha-Amino-epsilon-Caprolactam	1.2055	0.5972	1.4560
¶¡-Lapachone	1.7696	0.5111	0.5359
L-Asparagine	1.2105	0.9169	0.7652
L(-)-Carnitine	1.2625	0.6327	1.2689
L-Carnitine	2.0371	0.1970	0.6815
L-(+)-Citrulline	2.1359	0.0550	0.7907
L-Cystathionine	0.6589	0.6088	2.5007
L-Dopa	1.0668	0.9951	0.8796
Leucylproline	1.1127	0.8540	1.0905
Leukotriene B4 Ethanolamide	1.0946	0.8301	1.1768
Leu-Pro	0.8785	0.8190	1.6232
Levalbuterol	1.3027	0.9009	0.6188
L-Glutamate	1.1008	0.9427	0.9250
L-Glutamic acid	1.3657	0.8646	0.5730
L-Glutathione (reduced)	1.3402	0.9746	0.3885
L-Histidine	1.4576	0.6416	0.8682
L-Homocystine	1.6542	0.5649	0.6470
L-Iditol	0.4379	0.1527	3.9048
Lidocaine N-oxide	1.3685	0.6338	1.0591
Limonin	0.5354	1.4988	0.8464
Linolelaidic Acid (C18:2N6T)	1.5095	0.6235	0.8053
¶¡-Linolenoyl ethanolamide	1.2781	0.8128	0.8547
Linoleoyl ethanolamide	1.2623	0.9927	0.5023
L-Isoleucine	1.5133	0.6205	0.8041
L-Kynurenine	1.2558	0.8683	0.7801
L-Leucyl-L-Alanine	0.7680	0.9513	1.5576
LLK	1.0220	0.9903	0.9778
L-Lysine	1.6144	0.4595	0.9494
L-(-)-Methionine	1.4383	0.8400	0.4834
L-Methionine Methyl Ester	0.3967	1.7323	0.6202
L-Methionine sulfoxide	1.1847	0.6412	1.4030
LMH	0.9508	0.5649	2.0231
LNH	1.4763	0.5233	1.0837
LNK	1.2191	0.6389	1.3406
L(+)-Ornithine	1.7686	0.4883	0.5863
Loxoprofen	1.0353	0.6371	1.7041
LPH	1.3483	0.6387	1.0883
L-Phenylalanine	1.0539	1.1290	0.6197
LPK	1.2970	0.7445	0.9633
L-Pyroglutamic acid	1.1821	0.9287	0.7956
LQH	0.8476	0.8136	1.6955
L-Saccharopine	0.9688	1.0666	0.9190
L-Threonine	1.2777	0.9946	0.4683
L-Tryptophan	1.4602	0.6953	0.7489
L-Tyrosine	1.1950	0.7320	1.1895
L-Tyrosinemethylester	0.9752	1.0266	0.9919
L-Valine	1.3435	0.7326	0.8975
Lysine Butyrate	2.3408	0.1303	0.2295
Lysopa 16:0	1.1005	0.9683	0.8710
Lysopc 16:1	1.2570	0.9140	0.6804
Lysopc 17:0	0.9110	0.6364	1.9488
Lysopc 18:1	1.0869	0.8689	1.1094
Lysopc 18:2	0.7364	1.1143	1.2721
Lysopc 18:3	0.5119	1.6159	0.6428
LysoPC 20:2	0.9374	1.1533	0.7959
Lysopc 20:4	0.9208	0.6498	1.9009
Lysope 14:0	0.9199	1.2443	0.6363
Lysope 16:0	1.0354	0.7363	1.4926
Lysope 18:1	1.8851	0.2384	0.8907
Maduramicin	1.0527	0.9794	0.9408
Mag (18:1)	1.1492	1.0372	0.6288
MAG (18:2)	1.2708	0.9766	0.5202
MAG (18:3)	0.2638	2.1088	0.0782
Maltol	1.3051	0.9703	0.4662
Maltopentaose	0.8188	0.6241	2.1554
Maltotetraose	0.9506	0.1797	2.8443
Maslinic acid	1.9090	0.3322	0.6441
Melatonin	1.4113	0.7500	0.7280
mesaconic acid	1.3430	0.8680	0.6100
Methanandamide	1.3592	0.8043	0.7142
Methandrostenolone	1.1029	0.9441	0.9176
Methionine	1.5441	0.6950	0.5853
methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide	1.0979	0.8404	1.1484
methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate	1.1447	0.9661	0.7891
Methyl 3-indolyacetate	1.1421	0.9226	0.8868
Methyl cinnamate	0.8925	0.9751	1.2634
Methyldopa	1.1636	0.7804	1.1478
Methyl EudesMate	0.9060	0.9175	1.3596
Methylimidazoleacetic acid	0.9002	1.0563	1.0752
Methyl nicotinate	1.1678	0.8715	0.9454
Methyl palmitate	0.7919	0.7017	2.0426
Methyltestosterone	1.0207	0.9701	1.0233
MGMG (18:2)	1.1495	0.8272	1.0757
Milbemectin A4	0.9857	1.0582	0.9039
Milbemycin A3 oxime	1.1665	0.4417	1.8637
Minocycline	0.9264	1.2133	0.6896
MLK	1.0149	0.9544	1.0680
MNH	1.2898	0.5204	1.4549
MNK	1.3866	0.7664	0.7413
Monolaurin	1.0762	0.6050	1.6925
Monoolein	0.8131	1.2531	0.8264
Mosapride citrate	2.3154	0.1854	0.1619
MPH	0.9838	0.9864	1.0607
MPK	1.3558	0.7671	0.8000
MQH	0.8940	0.8087	1.6151
Mupirocin	1.1820	1.0531	0.5308
Muramic acid	0.8085	1.1455	1.0647
Muscone	0.6993	1.5183	0.4841
N1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,2-dimethylpropanamide	1.4707	0.7285	0.6575
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide	1.0340	1.1103	0.6986
N1-(2-pyridylmethyl)-2-[3,5-di(trifluoromethyl)benzoyl]benzamide	0.5971	1.5271	0.6652
N1-(3,4,5-trimethoxyphenyl)-3-(2-chlorophenyl)acrylamide	0.6985	1.4671	0.5947
N-(1,3-benzodioxol-5-ylmethyl)-6-morpholinonicotinamide	1.6096	0.1597	1.5975
N^1-(3-phenylprop-2-enylidene)-3-(4-hydroxyphenyl)propanohydrazide	1.2769	1.1248	0.1925
N1-{4-methyl-2-[(3,4,5-trimethoxybenzylidene)amino]phenyl}acetamide	1.2000	0.9603	0.6931
N1-(4-methylidene-3-thia-1-azaspiro[4.5]dec-2-yliden)-2-chloroaniline	1.1591	0.5937	1.5543
N1-{[5-(2,4-difluorophenyl)-2-furyl]methyl}benzene-1-sulfonamide	1.5740	0.5331	0.8717
N1-Acetylspermine	1.4587	0.8441	0.4347
N-(1-benzothiophen-2-yl)-N^-(2-methylphenyl)urea	1.5434	0.6748	0.6298
N1-cyclooctyl-4-hydroxy-1-piperidinecarbothioamide	1.5336	0.6668	0.6659
N1-hexahydropyrimidin-2-yliden-2,6-dichlorobenzamide	1.3029	0.8017	0.8300
N1-isopropyl-2-(1H-2-pyrrolylcarbonyl)-1-hydrazinecarboxamide	0.0808	2.2750	0.0821
N1-isopropyl-2-(phenylthio)benzamide	1.8778	0.4380	0.4800
N1,N1-diethyl-4-[2-(4-bromophenyl)diaz-1-enyl]aniline	1.2516	0.8651	0.7950
N1-pyrazin-2-yl-4-chlorobenzamide	1.0075	0.5826	1.8746
N1-tetrahydrofuran-2-ylmethyl-2-cyanoacetamide	1.4886	0.6312	0.8296
N-[2-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)vinyl]-N,N-dimethylamine	1.5868	0.6765	0.5410
N-{2-[(4-amino-5-cyano-2-pyrimidinyl)sulfanyl]acetyl}-N^-phenylurea	1.2254	0.9416	0.6836
N-(2-hydroxyphenyl)acetamide	1.5426	0.6247	0.7379
N2-Methylguanosine	0.8670	1.2177	0.7965
N-(2-morpholinophenyl)-2-furamide	1.3504	0.7582	0.8297
N-{[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-furamide	1.3306	0.8708	0.6284
N-[3-(1-methyl-1H-pyrazol-3-yl)phenyl]-N^-phenylurea	0.9683	1.1044	0.8397
N^3-(3,4,5-trimethoxybenzylidene)pyridine-3-carbohydrazide	0.2543	2.1005	0.1143
N3-benzylphenanthro[9,10-e][1,2,4]triazin-3-amine	1.2532	0.9747	0.5587
N3,N4-Dimethyl-L-arginine	1.1920	0.7853	1.0817
N-{4-[(2R,3R)-3-(Hydroxymethyl)-5-oxo-2-morpholinyl]phenyl}acetamide	0.5868	0.5813	2.7004
N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide	2.1901	0.2528	0.2635
N4-Acetylsulfamethoxazole	0.6043	1.6005	0.4948
N-(4-chlorophenyl)-5-hex-1-ynylnicotinamide	0.7345	1.4247	0.6147
N-[4-(diethylamino)phenyl]-N^-phenylurea	0.9188	0.6661	1.8702
N-(4-fluorophenyl)-N^-(2-piperidinophenyl)urea	1.3228	0.9162	0.5469
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide	1.0802	0.8603	1.1407
N-(4-methoxy-1-methyl-1H-indazol-3-yl)-5-methyl-3-isoxazolecarboxamide	0.3919	1.8492	0.3807
N-{4-[(nitromethyl)sulfonyl]phenyl}acetamide	1.7214	0.4466	0.7676
N-(4-piperidinophenyl)-2-thiophenecarboxamide	1.1456	0.9978	0.7200
N-(5-acetamidopentyl)acetamide	0.9590	1.0380	0.9994
N-(5-Aminopentyl)acetamide	1.4343	0.8575	0.4537
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide	0.9020	1.2484	0.6626
N6-Acetyl-L-lysine	1.4173	0.5638	1.1130
N6-Me-dA	0.9727	0.9294	1.2039
N-(6-methoxypyridin-3-yl)thiophene-2-carboxamide	1.4242	0.9241	0.3316
N6-Methyladenine	2.0035	0.3266	0.4712
N6,N6,N6-Trimethyl-L-lysine	1.5052	0.7215	0.6049
N8-Acetylspermidine	0.9878	1.2622	0.4652
N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-4-nitrobenzamide	0.9147	0.6796	1.8495
N-(9-oxodecyl)acetamide	0.9242	1.0804	0.9771
N-Acetyl-aspartic acid	0.9232	1.1358	0.8609
N-acetyl-D-glucosamine	1.2423	0.7869	0.9799
N-Acetyl-DL-phenylalanine	1.5992	0.6513	0.5705
N-Acetyl-DL-valine	1.1999	0.9493	0.7170
N-Acetyl-D-tryptophan	1.5162	0.7119	0.6038
N-Acetylhistamine	1.0854	0.8781	1.0927
N-Acetyl-L-carnosine	0.8315	0.6710	2.0307
N-Acetyl-L-leucine	1.8222	0.4361	0.5927
N-Acetylmethionine	1.3512	0.9087	0.5075
N-Acetylornithine	1.3466	0.7089	0.9422
N-Acetylputrescine	0.8399	1.1372	1.0209
NAD+	0.9254	0.7203	1.7419
N alpha-Acetyl-L-Arginine	0.8863	0.6301	2.0105
Narasin	0.9582	0.8745	1.3492
Natamycin	1.0044	1.0101	0.9698
N-benzoyl-N^-(2-chlorophenyl)thiourea	1.9170	0.4119	0.4587
N-Benzylformamide	1.1489	0.7196	1.3060
N-Carbamyl-L-glutamicacid	1.3710	0.8238	0.6495
N-cyclohexyl-N-methyl-6-quinoxalinecarboxamide	0.9190	0.8821	1.4096
N-Cyclohexyl-N-methylcyclohexanamine	1.1539	0.5083	1.7465
N-Desmethyl sildenafil	0.9108	0.9788	1.2197
N-Desmethyltramadol	0.5458	1.3486	1.1460
Ne-(1-Carboxymethyl)-L-lysine	0.8725	0.8805	1.5040
Neopterin	0.9964	0.5253	2.0183
Neosaxitoxin	1.5785	0.3509	1.2509
N-Formylkynurenine	1.3182	0.8709	0.6524
N^-hydroxy-2-methyl-1,3-thiazole-4-carboximidamide	1.0102	0.8481	1.3036
Nicotinamide	0.8945	1.1241	0.9422
Nicotinamide adenine dinucleotide (NAD+)	0.7995	1.3567	0.6324
Nicotinate ribonucleoside	1.1550	1.1353	0.4086
Nicotinic acid	0.9060	1.1758	0.8094
NKK	0.8502	0.7587	1.8071
N-¶¡-L-Acetyl-arginine	1.2006	0.8070	1.0187
N-Methyldioctylamine	1.0660	0.9713	0.9322
N-METHYL (-)EPHEDRINE	1.0325	1.0199	0.8940
N-Methylhydantoin	0.9034	1.1565	0.8556
N-Methylisoleucine	0.8568	1.3298	0.5776
NMK	1.0522	0.7388	1.4542
N,N-Bis(2-hydroxyethyl)formamide	0.7100	1.4609	0.5854
N,N-Diethyldodecanamide	1.1338	0.7345	1.3038
N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine	0.9080	0.5969	2.0388
N,N-dimethyl-9H-purin-6-amine	1.4429	0.4217	1.3655
N,N-Dimethyldecylamine N-oxide	1.1735	0.8621	0.9543
NNK	0.5587	0.6528	2.6032
Nonadecanoic acid	1.0193	1.0101	0.9407
Nor-9-carboxy-¶ƒ9-THC	0.9520	1.1266	0.8241
Norcodeine	1.4388	0.8192	0.5266
Norfenefrine	1.0116	0.8652	1.2644
Norharman	1.1163	0.7326	1.3421
Normorphine	0.6195	1.4964	0.6870
Nornicotine	0.8977	1.3498	0.4549
Nortriptyline	0.8318	0.5702	2.2446
N-P-Coumaroyl Spermidine	1.1167	1.0046	0.7618
NPH	0.7492	1.4836	0.4604
N-phenyl-N^-{[5-(2-phenyleth-1-ynyl)-3-pyridyl]carbonyl}thiourea	0.4442	1.7685	0.4502
NPK	1.2844	1.1181	0.1921
N-Stearoyl taurine	1.3706	0.7671	0.7710
N-Tetradecanamide	0.9589	0.9242	1.2418
NVP-231	1.0719	1.0064	0.8456
O-7460	1.1403	0.9010	0.9365
Obscurolide A1	1.7781	0.4401	0.6704
o-Cresol	1.3605	0.7556	0.8152
octadec-9-ynoic acid	1.5421	0.7963	0.3735
Octadecanamine	1.0217	0.9274	1.1122
Octopamine	1.1765	0.9111	0.8439
Octyl hydrogen phthalate	1.1436	0.9317	0.8646
O-Desmethylnaproxen	1.4360	0.8456	0.4759
Oleamide	1.1475	0.9100	0.9031
Oleanolic acid	1.2385	0.9921	0.5501
Oleic acid	0.9742	1.3337	0.3395
Oleoyl ethanolamide	1.4066	0.8254	0.5765
Oleoyl ethylamide	1.4083	0.7085	0.8222
o-Toluic Acid	1.0571	0.9437	1.0083
Oxaceprol	1.1536	0.9853	0.7310
Oxohongdenafil	1.1878	1.0322	0.5640
Oxymatrine	2.3981	0.1200	0.1393
Oxymorphone	0.8627	1.2786	0.6751
PAF C-16	1.4144	0.3430	1.5888
Paliperidone	0.8179	1.0274	1.2979
Palmitoleic Acid	0.9776	1.1784	0.6638
Palmitoylcarnitine	1.5393	0.4768	1.0595
Palmitoyl ethanolamide	1.2575	0.7435	1.0427
P-Aminohippuric Acid	0.8979	0.9809	1.2405
Pantetheine	0.7717	0.8314	1.8058
Paracetamol	0.8195	1.3692	0.5667
Pazufloxacin	1.2907	1.0400	0.3459
PD 0200347	1.1033	1.2278	0.3126
pentane-1,2,3,4,5-pentol	0.4195	1.5008	1.0688
Phenmetrazine	1.3222	0.8688	0.6490
Phenylacetylglycine	1.0842	0.9675	0.9046
Phenylpropiolic acid	1.0299	1.1468	0.6287
Phenytoin	1.3616	0.4139	1.5412
Phe-Pro	1.2871	0.8110	0.8409
Phlorizin	0.9861	1.0984	0.8175
p-Hydroxybenzaldehyde	1.0839	1.0909	0.6422
Phylloquinone	1.9807	0.3450	0.4766
Pilocarpine	2.3635	0.1525	0.1378
Pipecolic acid	1.1875	0.9316	0.7788
Piperine	0.9685	1.3259	0.3673
PKK	1.2180	1.0937	0.3739
Pleuromutilin	1.1880	0.8073	1.0428
PLH	1.5013	0.5139	1.0548
PLK	0.3822	0.2618	3.7813
p-Mentha-1,3,8-triene	1.2456	0.6338	1.2996
PNK	0.7423	1.1560	1.1719
Poncirin	1.4726	0.6270	0.8700
PPH	1.4395	0.8646	0.4286
PPK	1.3563	0.7603	0.8135
PQH	0.7923	1.2063	0.9669
Prednisolone tebutate	0.8649	1.1132	1.0232
Pregnanetriol	0.3564	0.4653	3.3983
Progesterone	1.0090	0.9605	1.0666
Proline-hydroxyproline	1.4660	0.7544	0.6116
Prolylleucine	0.8399	0.7991	1.7413
Propionyl-L-carnitine	0.8955	1.2570	0.6570
Proscillaridin A	1.2100	0.7218	1.1819
Prostaglandin A2	1.7923	0.4791	0.5594
Prostaglandin B2	1.2157	0.9345	0.7175
Prostaglandin E1	2.0495	0.3151	0.4056
Prostaglandin E2-1-glyceryl ester	1.2839	0.6208	1.2524
Prostaglandin F2¶¡-1-glyceryl ester	0.9283	0.6893	1.8022
Prostaglandin G2	0.9808	1.0227	0.9892
Prostaglandin J2	0.9709	1.0716	0.9043
Prostaglandin K2	1.0605	1.0492	0.7769
Protopine	1.5707	0.5029	0.9425
Psychosine	1.7746	0.5931	0.3515
Puerarin	0.3855	1.9789	0.1169
Punicic Acid	0.9259	1.2577	0.5959
Pyridoxal	1.5403	0.7712	0.4303
Pyridoxamine	0.9008	1.1842	0.8018
Pyridoxine	1.0711	0.9388	0.9913
Pyridoxine O-Glucoside	1.2015	0.9312	0.7524
Pyroglutamic acid	1.2578	0.8761	0.7595
QKK	1.2678	0.8952	0.6995
QLH	1.0222	0.5264	1.9655
QLK	0.7888	0.6101	2.2440
QNK	1.1915	0.6095	1.4573
Quinoline	2.0392	0.3939	0.2580
R-1 Methanandamide phosphate	2.2934	0.2584	0.0494
Reserpine	0.6351	1.5161	0.6143
Riboflavin	1.4930	0.7626	0.5412
Ricinine	1.4538	0.5977	0.9691
Ritalinic acid	1.4480	0.7087	0.7442
RKK	2.2396	0.1624	0.3591
RLK	1.2173	0.3945	1.8648
RMH	0.6905	0.4877	2.6969
RMK	0.9853	1.0760	0.8668
RNH	1.2447	0.7592	1.0343
RNK	1.1028	0.7437	1.3448
Rosmarinic acid	1.3395	0.8621	0.6295
Rosuvastatin	2.5747	0.0123	0.0232
RPK	1.8903	0.3336	0.6778
RQH	1.0207	0.9995	0.9605
(S)-10-Hydroxycamptothecin	0.9362	1.0923	0.9282
S-Adenosylmethionine	0.0084	2.3544	0.0547
Safrole	0.8095	0.9142	1.5555
Salsolinol	0.8377	1.2888	0.7021
Salvinorin B	0.9647	0.9213	1.2368
Sedanolide	0.8019	1.1446	1.0795
Senecionine	0.9685	1.0353	0.9865
Sepiapterin	1.0132	1.1259	0.7060
Silibinin	0.9409	1.0470	1.0157
Sinapyl aldehyde	1.2362	0.9345	0.6774
SKK	1.2085	0.9843	0.6254
SLK	0.9391	0.5510	2.0758
S-(Methyl)Glutathione	1.4363	1.0127	0.1195
SMK	0.7326	1.0573	1.4011
SNH	1.0986	0.8900	1.0416
(S)-Nicotine	1.2786	0.9028	0.6621
SNK	0.8149	1.2789	0.7680
Solanidine	0.7029	0.5820	2.4716
Solanine	0.6987	0.5080	2.6376
Solvent orange 2	0.9922	1.1903	0.6099
Spectinomycin	0.9018	1.2882	0.5783
Spermidine	0.5891	1.3081	1.1475
Spermine	1.3479	0.8654	0.6061
SPH	0.7823	1.2476	0.8984
Sphinganine	0.9154	1.0161	1.1313
Sphingosine (d18:1)	1.2441	0.7320	1.0932
SPK	0.9045	0.8984	1.4032
Stearamide	1.3765	0.6310	1.0494
Stearoyl ethanolamide	1.8728	0.4598	0.4432
Stevioside	0.9169	1.0982	0.9534
Stiripentol	1.0529	0.9089	1.0905
Styrene	1.9854	0.3401	0.4780
Sulfamethoxazole	0.7242	1.4376	0.6072
T-2 Triol	0.9677	1.0975	0.8556
Taurochenodeoxycholic Acid (sodium salt)	1.1753	0.7614	1.1654
Taurocholic acid	0.9535	1.0452	0.9947
Taurodeoxycholic acid	0.9796	0.9900	1.0612
Tauroursodeoxycholic acid	0.9948	0.9777	1.0578
Temazepam-d8	1.1966	0.7566	1.1340
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate	1.0416	1.1365	0.6279
Testosterone	1.2444	0.8952	0.7450
Testosterone undecanoate	1.1750	1.0923	0.4609
Tetrahydrocorticosterone	0.7426	1.4219	0.6049
Tetrahydrocortisone	0.4854	0.5057	3.0599
Tetramethylpyrazine	1.7593	0.4690	0.6457
Tetranor-12(S)-HETE	0.9125	0.4858	2.2666
THC	0.8346	1.2088	0.8789
Theophylline	1.0179	0.9983	0.9687
Thiamine	1.6350	0.4015	1.0327
Thr-Leu	1.3885	0.6346	1.0183
Thromboxane B2	1.0844	0.8359	1.1844
Thromboxane B2-biotin	0.9143	1.1189	0.9143
Thymine	1.4693	0.7276	0.6621
Thymopentin	1.4215	0.9761	0.2262
Tiglic acid	1.0750	1.0923	0.6565
TLH	0.8756	0.7802	1.7116
TLK	0.9760	0.7290	1.6243
TMK	0.8619	1.3438	0.5378
TNH	0.8290	1.0609	1.2048
Tomatidine	1.1906	1.0924	0.4302
TQH	1.2051	0.8437	0.9316
Tramadol N-Oxide	0.7155	1.3933	0.7186
trans-4-Phenyl-4-piperidinocyclohexanol	0.9324	1.0182	1.0936
trans-Cinnamaldehyde	1.0333	1.0701	0.7856
Triethanolamine	0.3825	1.7581	0.5929
Trigonelline	1.0064	0.9504	1.0931
Tris(2-carboxyethyl)phosphine	1.1973	0.8969	0.8337
Tropine	1.3532	0.8838	0.5566
Tyramine	1.3362	0.9611	0.4251
Tyr-Tyr	0.7268	1.1968	1.1152
Undecanedioic acid	0.9760	1.0263	0.9909
UR-144 N-(5-Chloropentyl) analog	1.0126	1.1175	0.7249
Uracil	1.2372	0.6595	1.2612
Urocanic acid	1.5749	0.5402	0.8548
Valerophenone	0.6923	1.3549	0.8459
Valylproline	1.1185	0.9402	0.8955
Vanillin	1.0061	1.0357	0.9120
Verapamil hydrochloride	1.2350	0.8563	0.8465
Veratramine	1.0768	0.7928	1.2911
Verrucarol	0.9754	1.1419	0.7459
Vindoline	0.6984	1.5225	0.4770
Vitamin B2	0.6928	1.4889	0.5595
Vitamin E Acetate	1.3443	0.9655	0.4000
Vitexin	1.2277	0.9032	0.7608
VLH	0.6942	0.2116	3.2780
VLK	1.1136	0.4745	1.8972
VMH	1.1354	0.8932	0.9626
VMK	0.9016	0.8375	1.5388
VNH	1.4206	0.7261	0.7606
VNK	0.8237	0.7411	1.8967
VPH	0.9023	0.7496	1.7247
VQH	1.0446	0.6091	1.7456
WKK	0.7382	1.4984	0.4504
WLK	1.3782	0.7058	0.8867
WNK	0.9121	0.9823	1.2096
WPH	1.3201	0.8023	0.7950
Xanthine	1.5951	0.4899	0.9224
XLR11 N-(2-fluoropentyl) isomer	2.0618	0.2124	0.6004
XLR11 N-(4-hydroxypentyl) metabolite	2.0331	0.3171	0.4338
¶ÿ-Hydroxynorfentanyl	1.1621	0.9660	0.7552
YLH	0.9959	1.1643	0.6578
YLK	0.7087	1.0897	1.3788
YMK	1.0868	1.0733	0.6741
YNH	1.1312	0.9989	0.7457
YNK	1.7154	0.4084	0.8609
YPH	0.7834	1.2125	0.9710

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

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