Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004138)

Reversed phase NEGATIVE ION MODE (Analysis AN006861)

Metabolite	Structure	F1	F2	F3
Chrysin	ME1102642	2.12	0.37	0.15
Fumonisin B2	ME1102695	2.06	0.43	0.13
Adrenic acid	ME1102605	2.18	0.28	0.21
MGDG O-24:4_3:0	ME1102688	2.16	0.31	0.20
L-Dihydroorotic Acid	ME1102842	2.08	0.35	0.28
Elaidic acid	ME1102632	2.09	0.31	0.33
N-(2-oxo-3-azepanyl)-5-(2-pyridinyl)-2-thiophenesulfonamide	ME1102717	2.14	0.28	0.31
2^-O-Methyladenosine	ME1102743	2.02	0.34	0.40
LPE O-15:1	ME1102815	1.98	0.38	0.39
N1-(4-bromo-3-chlorophenyl)piperidine-1-carbothioamide	ME1102690	1.99	0.37	0.40
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzamide	ME1103099	1.93	0.43	0.38
Deoxyguanosine	ME1102810	2.00	0.40	0.31
2-Hydroxy-2-methylbutanedioic acid	ME1102725	1.97	0.42	0.35
LPE O-18:3	ME1102833	1.97	0.43	0.32
17α-Hydroxyprogesterone	ME1102753	1.96	0.47	0.25
D-glutamine	ME1102706	1.95	0.52	0.16
6,8-di(tert-butyl)-4-oxo-4H-chromene-2-carboxylic acid	ME1102666	2.31	0.20	0.14
N^2-(2-furylcarbonyl)-3-chloro-4-methylthiophene-2-carbohydrazide	ME1102932	2.31	0.18	0.19
D-(-)-Quinic acid	ME1102615	2.40	0.14	0.11
MGDG 2:0_18:0	ME1102723	2.38	0.14	0.13
trans-10-Heptadecenoic acid	ME1102637	2.37	0.15	0.15
FAHFA 18:0/3:0	ME1102662	2.45	0.09	0.11
Oleoyl-L-α-lysophosphatidic acid	ME1102679	2.43	0.12	0.06
Protoporphyrin IX	ME1102844	2.08	0.27	0.44
LPE 19:1	ME1102923	2.15	0.23	0.38
LPE O-18:0	ME1102760	2.16	0.20	0.42
LPE O-18:1	ME1102749	2.28	0.10	0.43
Docosatrienoic acid	ME1103153	2.30	0.14	0.28
N-Oleoyl Glycine	ME1103148	2.28	0.15	0.30
11(E)-Eicosenoic Acid	ME1102638	2.22	0.20	0.32
Ornithine	ME1102694	2.25	0.21	0.24
Taurine	ME1102602	1.31	1.14	0.10
gamma-Glutamylmethionine	ME1103182	1.41	0.99	0.21
MGDG 2:0_16:0	ME1102870	1.32	1.07	0.22
(+/-)9(10)-EpOME	ME1102700	1.82	0.53	0.38
Docosapentaenoic acid	ME1103128	1.79	0.58	0.34
Resveratrol	ME1102552	1.80	0.58	0.33
ADGGA 12:0_12:0_18:2	ME1102796	1.83	0.60	0.24
DGDG O-16:4_20:5	ME1102834	1.85	0.55	0.28
NAGlySer 17:1/22:1	ME1102721	1.90	0.52	0.27
Citicoline	ME1103121	1.64	0.72	0.33
PB-22 N-pentanoic acid-3-carboxyindole metabolite	ME1102894	1.77	0.62	0.30
Picrotoxinin	ME1102868	1.74	0.65	0.28
Rutin	ME1102705	1.70	0.63	0.41
all-cis-4,7,10,13,16-Docosapentaenoic acid	ME1103151	1.70	0.68	0.32
8Z,11Z,14Z-Eicosatrienoic acid	ME1103137	1.71	0.65	0.36
Cytidine	ME1103162	1.71	0.66	0.34
Arachidic Acid	ME1103131	1.77	0.44	0.69
LPG 16:1	ME1102850	1.72	0.47	0.72
N1-(4-morpholinophenyl)-2-methylbut-2-enamide	ME1102892	1.69	0.50	0.72
Glu-Glu	ME1102986	1.68	0.51	0.71
L-Cystine	ME1102533	1.68	0.51	0.71
Calcium D-Panthotenate	ME1103037	1.72	0.53	0.60
LPE O-17:2	ME1102889	1.69	0.55	0.61
Lipoic acid	ME1103158	1.67	0.58	0.58
N-[4-(2,6-dimethylmorpholino)phenyl]-N^-(2-thienylmethyl)thiourea	ME1102824	1.68	0.57	0.59
Eriocitrin	ME1102746	1.64	0.60	0.61
15-OxoEDE	ME1102673	1.66	0.57	0.62
Kaempferitrin	ME1102942	1.66	0.56	0.64
4-Oxoproline	ME1102508	1.58	0.65	0.60
SM 8:1;2O/34:0	ME1103046	1.62	0.65	0.54
LPA 14:1	ME1102890	1.93	0.33	0.61
Methyl acetoacetate	ME1102656	1.92	0.35	0.60
(+/-)5(6)-DiHET	ME1102691	1.91	0.38	0.54
11(Z),14(Z)-Eicosadienoic Acid	ME1102639	1.94	0.36	0.53
Palmitic acid	ME1103133	1.95	0.34	0.54
L-Cysteinesulfinic acid	ME1102876	1.78	0.55	0.45
N-Acetyl-L-histidine	ME1103029	1.74	0.57	0.46
ST 29:1;O;Hex;FA 18:1	ME1102808	1.81	0.46	0.56
Cer 22:2;2O/18:0;(3OH)	ME1102902	1.81	0.48	0.53
D-Saccharic acid	ME1102545	1.83	0.46	0.52
LPE O-18:2	ME1102891	1.80	0.51	0.49
L-Palmitoylcarnitine	ME1103167	1.85	0.47	0.46
LPG O-15:1	ME1102734	1.83	0.48	0.47
Cer 18:1;2O/18:1	ME1103016	1.53	0.67	0.65
2-Hydroxyvaleric acid	ME1102505	1.52	0.67	0.69
Estriol 17-sulfate	ME1102822	1.52	0.67	0.69
(2-anilino-4-methyl-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone	ME1102854	1.44	0.71	0.76
Calcitriol	ME1102825	1.46	0.69	0.75
Thymidine	ME1102629	1.47	0.72	0.67
2-Hydroxycaproic acid	ME1102499	1.46	0.72	0.72
D-Gluconic acid	ME1102994	1.46	0.72	0.71
Dimetghyl 4-Hydroxyisophthalate	ME1102769	1.59	0.58	0.74
N^-(4-chlorobenzoyl)-3-[4-(trifluoromethoxy)phenyl]acrylohydrazide	ME1102905	1.62	0.56	0.74
Valeric acid	ME1102786	1.56	0.63	0.70
Adenine	ME1102594	1.59	0.60	0.70
Pentadecanoic acid	ME1103126	1.59	0.61	0.70
ADGGA 20:3_14:1_14:1	ME1103066	1.59	0.59	0.71
Glutaric acid	ME1102528	1.58	0.60	0.72
DL-Norvaline	ME1103157	1.50	0.62	0.84
Saccharin	ME1102984	1.47	0.66	0.82
Epigallocatechin gallate	ME1103011	1.54	0.59	0.82
FAHFA 2:0/16:0	ME1102698	1.54	0.58	0.84
13,14-dihydro-19(R)-hydroxy Prostaglandin E1	ME1102711	1.51	0.63	0.78
LPI 16:0	ME1103118	1.54	0.61	0.77
Nicotinamide N-oxide	ME1102792	1.53	0.62	0.76
LysoPE 18:0	ME1103138	1.49	0.60	0.89
12,13-EODE	ME1103155	1.45	0.62	0.94
LPC 16:0	ME1102641	1.47	0.59	0.96
(±)9-HpODE	ME1102921	1.40	0.65	0.96
DL-Tryptophan	ME1102516	1.42	0.67	0.88
Riboflavin-5-phosphate	ME1102974	1.45	0.64	0.90
Soyasaponin I	ME1102699	1.42	0.65	0.91
N-Acetyl-D-galactosamine 4-sulfate	ME1102751	1.40	0.71	0.83
Ureidosuccinic acid	ME1103173	1.35	0.73	0.87
DL-β-Leucine	ME1102661	1.38	0.72	0.86
Ethylmalonic acid	ME1102581	1.38	0.71	0.87
5-Hydroxymethyluracil	ME1102943	1.41	0.73	0.78
Milbemectin A3	ME1102731	1.40	0.75	0.76
LPG O-16:1	ME1103028	1.36	0.76	0.80
N1-(2-methyl-4-nitrophenyl)acetamide	ME1103090	1.37	0.77	0.77
2-Oxobutyric acid	ME1102646	1.59	0.84	0.18
LPE O-16:2	ME1102784	1.60	0.80	0.25
N-Acetyl-L-methionine	ME1102522	1.57	0.81	0.28
LPG 4:0	ME1102802	1.50	0.84	0.36
Tanespimycin	ME1103020	1.49	0.84	0.38
Deoxyinosine	ME1102848	1.55	0.81	0.34
17(S)-HpDHA	ME1102900	1.59	0.76	0.34
1,3-Dimethyluracil	ME1102664	1.57	0.77	0.37
Indole-3-lactic acid	ME1102598	1.56	0.78	0.37
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid	ME1102611	1.60	0.72	0.43
FAHFA 18:2/20:4	ME1103084	1.58	0.74	0.42
13,14-dihydro Prostaglandin F1α	ME1103091	1.58	0.72	0.47
3-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid	ME1102767	1.55	0.74	0.47
Naringin	ME1102613	1.47	0.79	0.51
Miquelianin	ME1102816	1.50	0.78	0.50
2^-Deoxyinosine	ME1102550	1.49	0.79	0.50
Prostaglandin A3	ME1102910	1.49	0.79	0.49
Docosahexaenoic acid	ME1102595	1.52	0.76	0.50
MGDG O-24:5_2:0	ME1102955	1.50	0.76	0.52
(±)12(13)-DiHOME	ME1102895	1.55	0.72	0.52
Arachidonic acid	ME1103145	1.52	0.73	0.56
Trifolin	ME1103050	1.49	0.76	0.57
N-Acetyl-L-phenylalanine	ME1102510	1.41	0.88	0.46
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-(2-naphthyl)butane-1,4-dione	ME1102968	1.39	0.84	0.57
N1-phenyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide	ME1103105	1.45	0.83	0.49
11-deoxy Corticosterone	ME1102886	1.42	0.82	0.55
N-Acetylneuraminic acid	ME1102609	1.43	0.83	0.53
Ouabain	ME1102969	1.43	0.83	0.52
O-Succinylhomoserine	ME1103004	1.36	0.86	0.61
aminoimidazole carboxamide ribonucleotide	ME1102957	1.33	0.87	0.63
Homovanillic acid	ME1102619	1.33	0.87	0.65
8-iso Prostaglandin A1	ME1103096	1.44	0.79	0.60
Piceatannol	ME1102588	1.44	0.77	0.63
2-Isopropylmalic acid	ME1102525	1.39	0.81	0.64
15-Deoxy-Δ12,14-prostaglandin D2	ME1102938	1.40	0.79	0.68
Threonine	ME1102535	1.42	0.76	0.68
Taurochenodeoxycholic acid	ME1102622	1.64	0.25	1.35
LPC O-18:0	ME1103116	1.72	0.30	1.08
LPE 18:1	ME1102658	1.66	0.31	1.18
Indole-3-pyruvic acid	ME1102805	1.75	0.37	0.89
2-[(4-chlorophenyl)sulfonyl]-N,N-dimethylacetamide	ME1102728	1.66	0.43	0.92
Lignoceric acid	ME1102787	1.69	0.41	0.91
Quinoline-4-carboxylic acid	ME1102773	1.71	0.40	0.90
Rifampicin	ME1102652	1.81	0.35	0.80
LPC 22:5	ME1103069	1.75	0.42	0.78
Methyl-2-hydroxyisobutyric acid	ME1103087	1.70	0.44	0.82
FAHFA 18:0/24:4	ME1102857	1.44	0.49	1.23
LPG 18:2	ME1102859	1.46	0.48	1.21
LysoPE 18:2	ME1103132	1.42	0.55	1.14
ST 28:1;O;S	ME1102977	1.46	0.53	1.11
FAHFA 4:0/16:0	ME1103009	1.51	0.50	1.05
16-Hydroxyhexadecanoic acid	ME1102634	1.59	0.45	1.03
4-Methylhippuric acid	ME1102729	1.58	0.45	1.04
CerP 14:1;2O/10:0	ME1103098	1.53	0.55	0.93
LPC 18:0	ME1102670	1.60	0.48	0.92
D-(-)-Mannitol	ME1102519	1.90	0.05	1.26
Cyclamic acid	ME1102633	1.97	0.15	0.91
LPE 18:0	ME1102713	2.00	0.11	0.94
LPS 18:0	ME1102783	1.97	0.13	0.95
FAHFA 5:0/24:0	ME1102839	1.98	0.23	0.71
4-Methyl-2-Oxopentanoic Acid	ME1103160	2.00	0.17	0.83
LPE 15:0	ME1102657	1.98	0.20	0.79
18-β-Glycyrrhetinic acid	ME1103130	0.71	1.69	0.09
5-Hydroxyindole-2-carboxylic acid	ME1102648	0.69	1.69	0.13
2-Oxoglutaric acid	ME1102754	0.75	1.58	0.25
Sorbitan monopalmitate	ME1102720	0.75	1.60	0.20
3,4-Dihydroxyphenylpropionic acid	ME1102614	0.71	1.63	0.22
Monobenzyl phthalate	ME1102542	0.73	1.61	0.22
2^-Deoxyinosine 5^-monophosphate	ME1102740	0.81	1.55	0.21
Oxaloacetate	ME1102940	0.82	1.53	0.21
Oxoadipic Acid	ME1102758	0.80	1.57	0.17
Malonic acid	ME1102575	0.83	1.55	0.16
Syringic acid	ME1102660	0.83	1.55	0.17
Butylparaben	ME1102650	0.87	1.49	0.22
LNAPS 2:0/N-2:0	ME1102812	0.82	1.50	0.28
Lysopc 16:2 (2N Isomer)	ME1102979	0.60	1.57	0.57
PC O-18:5_2:0	ME1102990	0.61	1.56	0.58
D-(-)-Salicin	ME1102919	0.61	1.58	0.52
FAHFA 15:0/24:4	ME1103088	0.63	1.56	0.52
Hex2Cer 34:1;2O	ME1103071	0.69	1.51	0.52
PE 18:1_18:2	ME1103019	0.69	1.54	0.47
2,5-di[4-(trifluoromethyl)benzylidene]cyclopentan-1-one	ME1102862	0.65	1.56	0.49
Tetranor-12R-HETE	ME1103136	0.66	1.55	0.50
3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one	ME1103154	0.62	1.63	0.41
alpha-Benzylsuccinic acid	ME1102853	0.65	1.59	0.43
5 methyl THF	ME1103065	0.74	1.53	0.36
3-[3-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]propanoic acid	ME1102917	0.69	1.58	0.37
Eriodictyol	ME1102730	0.70	1.57	0.36
Sucrose	ME1102768	0.50	1.54	0.83
4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid	ME1102972	0.58	1.50	0.76
Gibberellin A4	ME1102841	0.61	1.45	0.81
5-[(Benzoyloxy)methyl]-4,5,6-trihydroxy-2-cyclohexen-1-yl benzoate	ME1102981	0.76	1.45	0.51
Cer 18:0;2O/17:0;(3OH)	ME1103112	0.73	1.45	0.57
Naringenin	ME1103149	0.74	1.44	0.57
D-Glucono-1,5-lactone	ME1102813	0.76	1.41	0.59
Geranylgeranyl pyrophosphate	ME1102897	0.79	1.40	0.56
Sulfamethoxazole hydroxylamine	ME1102809	0.77	1.42	0.55
16α-Hydroxyestrone	ME1102992	0.70	1.42	0.70
4,5-diphenyl-2,3-dihydro-1H-pyrazolo[3,4-c]pyridazin-3-one	ME1102745	0.70	1.43	0.67
α,α-Trehalose	ME1102582	0.68	1.42	0.73
L-Tyrosine methyl ester	ME1102926	0.70	1.40	0.74
Phe-Phe	ME1102765	0.71	1.39	0.74
Luteolin	ME1102719	0.69	1.46	0.63
Desoxycortone	ME1102771	0.69	1.47	0.62
N-Acetylglucosamine 1-phosphate	ME1102931	0.69	1.46	0.62
1,3,7-Trimethyluric acid	ME1102827	0.65	1.51	0.61
Dibenzoyl Thiamine	ME1103005	0.64	1.50	0.64
Vanillic acid	ME1102561	0.64	1.49	0.66
Cyclic ADP-ribose	ME1102631	0.59	1.53	0.68
Cynaropicrin	ME1102914	0.65	1.47	0.70
Hippuric acid	ME1102549	0.63	1.48	0.70
FAHFA 18:2/24:4	ME1102867	0.49	1.83	0.24
PE-Cer 12:0;2O/23:0;O	ME1103048	0.47	1.79	0.35
δ-Gluconic acid δ-lactone	ME1102532	0.44	1.84	0.31
(-)-Epigallocatechin	ME1102851	0.57	1.73	0.29
Prostaglandin H2	ME1102732	0.58	1.72	0.30
Cer 18:1;2O/16:0;(2OH)	ME1103073	0.52	1.73	0.39
Chlortetracycline	ME1102798	0.56	1.68	0.43
FAHFA 4:0/22:0	ME1102961	0.48	1.63	0.69
D-Alanyl-D-alanine	ME1102553	0.55	1.58	0.64
N-(2,6-Dimethylphenyl)-N-(methoxyacetyl) alanine	ME1102918	0.52	1.61	0.65
Cer 17:0;2O/17:0;(3OH)	ME1103074	0.54	1.65	0.52
1-Methylguanine	ME1103168	0.47	1.68	0.59
3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid	ME1102651	0.48	1.69	0.55
2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)acetonitrile	ME1102828	0.43	1.79	0.43
methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate	ME1102935	0.46	1.74	0.47
DL-3,4-Dihydroxyphenyl glycol	ME1103183	0.36	1.81	0.52
LPG 18:3	ME1102913	0.34	1.80	0.59
5-Sulfosalicylic acid	ME1102636	0.05	2.33	0.03
Myricitrin	ME1102724	0.24	2.04	0.28
19(R)-Hydroxy prostaglandin A2	ME1103106	0.25	2.02	0.30
1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione	ME1102710	0.25	2.01	0.31
PE 14:0_16:0	ME1102963	0.25	2.01	0.32
Cer 18:1;2O/15:0	ME1103040	0.32	1.91	0.39
Medroxyprogesterone	ME1102715	0.34	1.93	0.32
Thymidine 5^-diphosphate	ME1102780	0.18	2.12	0.21
Genipin	ME1102643	0.30	2.08	0.07
Phloretin	ME1102610	0.28	2.09	0.08
LPC 14:0	ME1102845	1.18	0.78	1.13
Succinic acid	ME1102512	1.16	0.80	1.12
LPC 16:1	ME1102789	1.16	0.82	1.07
Oleoyl-L-alpha-lysophosphatidic acid	ME1102937	1.13	0.83	1.10
4-Aminobutyric acid	ME1102991	1.14	0.75	1.26
ST 24:1;O4;T	ME1102823	1.12	0.77	1.27
Benzoic acid	ME1102504	1.19	0.74	1.18
Chenodeoxycholic acid-3-beta-D-glucuronide	ME1102803	1.13	0.78	1.20
PE 17:1_18:1	ME1103104	1.16	0.77	1.19
Prostaglandin F3α	ME1103097	1.16	0.77	1.17
2-[2-(4-benzhydrylpiperazino)-2-oxoethoxy]acetic acid	ME1103023	1.01	0.94	1.11
Dopamine	ME1103174	1.04	0.91	1.12
gamma-Glutamylleucine	ME1103129	1.04	0.89	1.15
4-[2-(2-oxo-1-imidazolidinyl)ethyl]-1lambda~6~,4-thiazinane-1,1-dione	ME1102707	1.01	0.91	1.19
LL-2,6-Diaminopimelate	ME1102956	0.96	0.94	1.19
2-(Formylamino)Benzoic Acid	ME1102785	1.01	0.87	1.24
β-Muricholic acid	ME1102498	1.08	0.80	1.27
trans-Aconitic acid	ME1103067	1.06	0.84	1.22
L-(+)-Tartaric acid	ME1102502	1.04	0.85	1.23
Pseudouridine	ME1102896	1.05	0.85	1.24
FAHFA 3:0/18:0	ME1102800	1.08	0.82	1.24
Porphobilinogen	ME1103143	1.09	0.82	1.21
Prostaglandin K1	ME1102837	1.04	0.80	1.33
Succinic semialdehyde	ME1102794	1.03	0.83	1.29
Citrulline	ME1102999	1.00	0.85	1.32
Glutaconic acid	ME1102580	1.01	0.85	1.30
3,4-dimethoxythiophene-2,5-dicarboxylic acid	ME1102947	0.97	0.89	1.29
PI-Cer 12:0;2O/23:0;O	ME1103021	0.95	0.88	1.35
(±)-Abscisic acid	ME1102607	1.33	0.59	1.24
FAHFA 4:0/18:0	ME1102736	1.26	0.65	1.23
SMGDG O-20:1_2:0	ME1103026	1.18	0.70	1.29
1,7-Dimethyluric acid	ME1102620	1.24	0.66	1.27
LPC 18:1	ME1102685	1.21	0.67	1.29
4-hydroxy-1-phenyl-1,2-dihydroquinolin-2-one	ME1102948	1.16	0.70	1.34
LPC 15:0	ME1103107	1.18	0.67	1.37
N1-(3-amino-4-chlorophenyl)-2-[2,4-di(tert-pentyl)phenoxy]acetamide	ME1102793	1.10	0.73	1.38
Cholic acid	ME1102599	1.14	0.70	1.38
NAGlySer 24:3/19:1	ME1102989	1.13	0.69	1.42
2-Furoic acid	ME1102584	1.01	0.79	1.43
diethyl 2-[(2-morpholinoanilino)methylidene]malonate	ME1102644	1.06	0.72	1.48
(+/-)13-HODE	ME1102714	1.36	0.66	1.01
Monensin	ME1102901	1.35	0.66	1.04
12-Hydroxydodecanoic acid	ME1102692	1.33	0.70	1.00
Cinnamyl alcohol	ME1102819	1.32	0.69	1.03
L-Ornithine	ME1102776	1.31	0.69	1.06
Chenodeoxycholic Acid	ME1102669	1.27	0.73	1.04
5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide	ME1103146	1.25	0.73	1.09
β-Estradiol-17β-glucuronide	ME1102933	1.23	0.73	1.12
N1-(4-cyclohexylphenyl)-2-[(4-methylphenyl)thio]acetamide	ME1103064	1.31	0.81	0.79
Diphenylamine	ME1102741	1.30	0.81	0.82
S-Adenosyl-L-methionine	ME1103038	1.32	0.80	0.81
(±)10(11)-EpDPA	ME1102564	1.29	0.85	0.75
3-Nitro-L-Tyrosine	ME1103045	1.29	0.85	0.75
3-Phenyllactic acid	ME1102501	1.29	0.84	0.78
LPG 16:0	ME1102709	1.28	0.84	0.78
Prostaglandin A1 ethyl ester	ME1102821	1.27	0.91	0.67
Lactobionic acid	ME1102885	1.23	0.93	0.70
3-Oxo-7alpha,12alpha-hydroxy-5beta-cholanoic acid	ME1103125	1.24	0.92	0.68
Pantothenic acid	ME1102597	1.25	0.92	0.68
4-Hydroxyisoleucine	ME1102820	1.23	0.95	0.65
D-Fructose 6-phosphate	ME1102702	1.20	0.98	0.66
Glycerol 3-phosphate	ME1102571	1.21	0.95	0.69
Phenylacetaldehyde	ME1102635	1.21	0.96	0.68
NAGlySer 19:2/22:1	ME1103044	1.29	0.88	0.70
20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid	ME1102893	1.27	0.88	0.72
FAHFA 5:0/18:0	ME1102735	1.28	0.88	0.72
N-Acetyl-DL-tryptophan	ME1103068	1.21	0.93	0.75
10-Hydroxydecanoic acid	ME1102566	1.22	0.92	0.74
PE 15:0_17:1	ME1103054	1.22	0.92	0.73
N-Acetyl-D-alloisoleucine	ME1102506	1.25	0.88	0.76
N-Acetyl-DL-glutamic acid	ME1102627	1.24	0.90	0.74
23-Norcholic acid	ME1103010	1.28	0.75	0.98
Ursolic acid	ME1103181	1.30	0.74	0.98
2-Methyl-3-hydroxybutyric acid	ME1102922	1.26	0.78	0.96
LPE 14:0	ME1102750	1.26	0.77	0.98
Tetrahydroaldosterone	ME1102790	1.29	0.77	0.91
trans-Cinnamic acid	ME1102520	1.33	0.76	0.88
14,15-Leukotriene E4	ME1103052	1.22	0.81	0.96
N1-[3-(acetylamino)-2-oxo-2H-chromen-6-yl]-4-nitrobenzamide	ME1103059	1.24	0.81	0.94
Carnosine	ME1102621	1.20	0.86	0.91
Phenylglyoxylic acid	ME1103134	1.21	0.83	0.95
15(R),19(R)-Hydroxy prostaglandin F1α	ME1102916	1.20	0.85	0.94
Hesperetin	ME1103179	1.21	0.84	0.93
N-lactoyl-phenylalanine	ME1103150	1.22	0.88	0.84
PG 18:2_18:2	ME1103109	1.22	0.88	0.83
7,8-Dihydrofolate	ME1103056	1.22	0.87	0.85
4-Hydroxybutyric acid (GHB)	ME1102568	1.23	0.86	0.84
D-Proline	ME1102951	1.23	0.86	0.85
(S)-Leucic acid	ME1103177	1.27	0.82	0.85
2-Hydroxybutyric acid	ME1103095	1.28	0.80	0.88
δ-Ribono-1,4-lactone	ME1102521	1.27	0.81	0.87
Ethylmalonate	ME1102983	1.23	0.84	0.89
LNAPS 22:4/N-16:3	ME1103076	1.25	0.82	0.90
11-Deoxy prostaglandin F2β	ME1102739	1.08	0.96	0.93
LPE 16:1	ME1102756	1.07	0.96	0.95
Lithocholic Acid	ME1103124	1.06	0.95	0.99
Lauric acid	ME1103058	1.09	0.93	0.98
2-Hydroxyphenylacetic acid	ME1102554	1.09	0.94	0.96
5-Hydroxytryptophan	ME1102625	1.08	0.94	0.97
(2E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide	ME1103081	1.15	0.93	0.85
(+/-)9-HpODE	ME1102680	1.14	0.93	0.88
3-Methyl-2-oxobutanoic acid	ME1102829	1.12	0.93	0.93
Levodopa	ME1102967	1.11	0.95	0.89
Sebacic acid	ME1103000	1.10	0.95	0.90
3-Hydroxy-3-methylglutaric acid	ME1102529	1.16	0.87	0.95
Xanthosine	ME1102527	1.15	0.85	1.03
N1-methyl-2-{2-[(2-phenoxyethyl)thio]acetyl}hydrazine-1-carbothioamide	ME1102987	1.14	0.87	1.00
N-Isovalerylglycine	ME1102558	1.13	0.88	0.99
Phenylpyruvic acid	ME1103163	1.13	0.88	1.00
2-{2-oxo-2-[(2-oxo-3-azepanyl)amino]ethoxy}acetic acid	ME1102861	1.08	0.87	1.12
Testosterone sulfate	ME1102524	1.10	0.86	1.10
(+/-)11(12)-EET	ME1102920	1.07	0.92	1.04
Anthranilic acid	ME1102572	1.10	0.89	1.05
Epinephrine bitartrate	ME1103117	0.95	1.06	0.98
Citramalic acid	ME1102904	0.94	1.04	1.03
5-heptyl-4-hydroxy-6H-pyrido[3,2,1-jk]carbazol-6-one	ME1102752	0.92	1.07	1.01
myricetin 3-O-beta-D-galactopyranoside	ME1102927	0.93	1.05	1.01
SM 8:0;2O/10:0	ME1103035	0.94	1.06	1.01
tetranor-12(R)-HETE	ME1103092	0.94	1.06	1.01
Hematoxylin	ME1102852	0.90	1.09	1.01
3-Hydroxyanthranilic acid	ME1102567	0.90	1.09	0.99
Ascorbyl stearate	ME1102988	0.90	1.09	0.99
15(R)-Prostaglandin E2	ME1102801	0.87	1.11	1.03
2-Butoxyacetic acid	ME1102795	0.86	1.12	1.03
FAHFA 18:0/18:0	ME1103030	0.88	1.10	1.02
UDP-N-acetylglucosamine	ME1102682	0.87	1.11	1.01
Octanedioic acid	ME1103114	0.82	1.12	1.08
2-Phenylethylamine	ME1103070	0.84	1.09	1.12
3-Hydroxyvaleric acid	ME1102871	0.87	1.06	1.13
5-Aminolevulinic acid	ME1102570	0.88	1.05	1.13
trans-2-Butene-1,4-dicarboxylic Acid	ME1103077	0.88	1.08	1.06
(±)11-HETE	ME1102814	0.93	1.03	1.08
N-Acetylglycine	ME1102590	0.90	1.05	1.07
Flavin mononucleotide (FMN)	ME1102971	1.02	1.01	0.94
Terephthalic acid	ME1102578	1.01	1.00	0.97
Trolox	ME1103062	1.01	1.00	0.97
L-Hydroxyproline	ME1103032	1.01	0.98	1.03
15(R),19(R)-Hydroxy prostaglandin F2α	ME1102973	0.98	1.02	1.00
nor-6β-Oxycodol	ME1103012	0.99	1.00	1.01
LPG 19:1	ME1103094	1.00	1.00	1.00
11-Dehydro thromboxane B2	ME1102836	1.00	1.01	0.99
Capryloylglycine	ME1102849	1.00	1.01	1.00
4-Acetamidobutanoic acid	ME1102579	0.94	1.00	1.12
L-Cysteine-glutathione gisulfide	ME1103172	0.96	1.00	1.07
Lauric acid ethyl ester	ME1102847	0.99	1.11	0.79
ST 24:2;O4	ME1102733	0.99	1.11	0.78
4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid	ME1102543	1.01	1.10	0.76
ent-8-iso Prostaglandin F2α	ME1102770	1.01	1.09	0.78
13,14-dihydro-15-keto-tetranor Prostaglandin D2	ME1102915	0.98	1.08	0.87
4-Hydroxyphenylpyruvic acid	ME1102556	0.97	1.10	0.85
19(R)-Hydroxy prostaglandin F1α	ME1102843	0.95	1.12	0.83
ST 24:1;O5;G;S	ME1102840	0.97	1.11	0.82
Tyrosol	ME1102763	0.99	1.10	0.82
alpha-Ketoglutaric acid	ME1102996	0.94	1.11	0.88
D-2-Aminoadipic acid	ME1103043	0.94	1.11	0.87
Salicylic acid	ME1102618	0.93	1.11	0.90
Xanthurenic Acid	ME1102960	0.93	1.10	0.92
5-Aminovaleric acid	ME1102726	1.02	1.03	0.90
1-Methyladenosine	ME1103008	0.98	1.06	0.92
ST 29:1;O;S	ME1102945	0.98	1.06	0.91
(±)9(10)-DiHOME	ME1102647	1.16	1.00	0.69
4-Methylphenol	ME1102696	1.14	1.00	0.73
3-Hydroxybutyric acid	ME1102587	1.15	0.98	0.75
N1-(4-chlorophenyl)-2-cyano-4,4-dimethyl-3-oxopentanamide	ME1103100	1.14	0.99	0.75
8-iso-15-keto Prostaglandin E2	ME1102879	1.10	1.02	0.75
Monomethyl phthalate	ME1102864	1.12	1.01	0.75
13-Hpotre(R)	ME1102665	1.11	0.99	0.79
(+/-)9,10-dihydroxy-12Z-octadecenoic acid	ME1102645	1.13	0.99	0.77
2,3-Dinor-8-epi-prostaglandin F2α	ME1102860	1.06	1.06	0.77
cis-2-Decenoic acid	ME1102883	1.10	0.98	0.83
LPE 15:1	ME1102701	1.04	1.04	0.83
LPA 18:0	ME1103075	1.04	1.03	0.85
LPG 15:0	ME1102738	1.05	1.03	0.86
Ascorbic acid	ME1102591	1.08	1.01	0.83
4-Hydroxy-3-methylbenzoic acid	ME1102884	1.07	1.00	0.86
N-Acetyl-DL-norvaline	ME1102547	1.06	1.01	0.86
8(S),15(S)-DiHETE	ME1102737	0.69	1.26	1.05
(2S)-4-Oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside	ME1102708	0.61	1.35	1.01
FAHFA 20:1/18:0	ME1102954	0.59	1.35	1.04
1,5,8-Trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside	ME1103063	0.57	1.43	0.92
8,15-Dihete	ME1103014	0.67	1.38	0.85
Prostaglandin E2	ME1102929	0.62	1.41	0.87
11-keto Testosterone (CRM)	ME1102898	0.65	1.34	0.96
Stercobilin	ME1103139	0.68	1.31	0.97
Oxazepam	ME1102623	0.66	1.35	0.91
L-beta-Imidazolelactic acid	ME1102835	0.68	1.35	0.89
N-Acetylvaline	ME1103123	0.69	1.35	0.87
3^-Dephospho-CoA	ME1103060	0.71	1.32	0.88
Suberic acid	ME1102544	0.70	1.32	0.92
2,5-Dihydroxybenzaldehyde	ME1102526	0.87	1.15	0.93
Gentisic acid	ME1102523	0.88	1.13	0.95
19(R)-Hydroxy prostaglandin F2α	ME1103013	0.86	1.19	0.87
Jasmonic acid	ME1102881	0.87	1.17	0.89
(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside	ME1102964	0.78	1.22	0.96
MGDG O-17:1_2:0	ME1103108	0.79	1.22	0.95
N-Acetylhistidine	ME1103003	0.79	1.22	0.95
N-Acetylalanine	ME1102592	0.83	1.20	0.90
Trehalose 6-phosphate	ME1103188	0.81	1.20	0.93
Δ17-6-keto prostaglandin F1α	ME1102832	0.83	1.14	1.02
Traumatic acid	ME1102678	0.84	1.16	0.96
2-(Dimethylamino)Guanosine	ME1103080	0.81	1.18	0.98
N-Acetylmannosamine	ME1102928	0.83	1.17	0.98
lipoamide	ME1103053	0.78	1.27	0.86
Nervonic acid	ME1103161	0.81	1.24	0.85
4-[(3,4-dimethoxyphenethyl)amino]-4-oxobutanoic acid	ME1102998	0.77	1.33	0.74
L-Threonic acid	ME1102563	0.80	1.30	0.74
1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one	ME1102855	0.75	1.33	0.79
Azelaic acid	ME1102515	0.77	1.31	0.79
LNAPE 16:0/N-18:2	ME1102772	0.77	1.31	0.80
4-Nitrocatechol	ME1102593	0.79	1.29	0.80
MGDG O-24:5_3:0	ME1102907	0.77	1.29	0.83
Genistein	ME1102596	0.88	1.24	0.73
Monobutyl phthalate	ME1103083	0.86	1.24	0.75
4-chloro-1H-indazol-3-amine	ME1102683	0.83	1.29	0.71
methyl 2-[(2-acetyl-3-oxo-1-butenyl)amino]acetate	ME1103186	0.84	1.27	0.74
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one	ME1102681	0.94	1.15	0.80
D-Raffinose	ME1103144	0.96	1.15	0.75
Dl-Indole-3-lactic acid	ME1102975	0.93	1.19	0.73
Farnesyl pyrophosphate	ME1103115	0.92	1.19	0.76
LPE 13:0	ME1102866	0.93	1.17	0.77
Adenosine diphosphate ribose	ME1103093	0.84	1.23	0.81
2,2-Dimethylsuccinic acid	ME1102569	0.84	1.22	0.85
Catechol	ME1102534	0.86	1.21	0.84
3,3-Dimethylglutaric acid	ME1102513	0.89	1.18	0.83
Hexadecanedioic acid	ME1102766	0.90	1.19	0.80
5-Hydroxyindole-3-acetic acid	ME1102606	0.88	1.21	0.78
Hexanoic acid	ME1102761	0.88	1.20	0.80
Isorhapontigenin	ME1103176	1.08	1.19	0.45
10-Nitrolinoleate	ME1103171	1.11	1.14	0.49
N-Acetylaspartic acid	ME1102548	1.10	1.16	0.48
7-Methylxanthine	ME1103178	1.16	1.13	0.40
LPS 2:0	ME1102880	1.15	1.14	0.40
LPG O-14:1	ME1102797	1.18	1.10	0.44
LPI 14:0	ME1103078	1.14	1.12	0.46
7-Hydroxy-3,4-dihydrocarbostyril	ME1103156	1.23	1.11	0.31
Gluconic acid	ME1102538	1.20	1.12	0.36
NAGlySer 16:0/22:1	ME1102764	1.25	1.05	0.41
D-(-)-Fructose	ME1102546	1.29	1.05	0.33
Liquiritigenin	ME1102887	1.33	0.99	0.37
Neohesperidin	ME1102640	1.34	0.96	0.42
Glucose 1-phosphate	ME1102537	1.31	0.97	0.45
LNAPE 18:2/N-18:2	ME1102775	1.32	0.95	0.48
DL-4-Hydroxyphenyllactic acid	ME1102509	1.35	0.91	0.51
Leucine-enkephalin	ME1102997	1.30	0.93	0.56
12(S)-HETE	ME1103024	1.17	1.03	0.59
Inositol	ME1102747	1.12	1.07	0.60
LPI 15:0	ME1102962	1.13	1.07	0.59
1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid	ME1102722	1.09	1.08	0.65
Dodecanedioic acid	ME1102503	1.12	1.06	0.62
10-Formylpteroic acid	ME1102858	1.12	1.06	0.64
1a,1b-Dihomo prostaglandin E1	ME1102908	1.11	1.06	0.65
3-(4-Hydroxyphenyl)propionic acid	ME1102531	1.22	1.03	0.50
PE 15:0_16:0	ME1102863	1.21	1.02	0.53
Cer 18:2;2O/2:0	ME1102831	1.24	0.96	0.61
Gallic acid	ME1102562	1.22	0.99	0.60
Quercetin	ME1102676	1.08	1.30	0.21
β-D-Glucopyranuronic acid	ME1102653	1.12	1.24	0.24
4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid	ME1102953	1.00	1.29	0.40
DGDG 16:0_22:3	ME1103031	1.03	1.27	0.36
5-Hydroxylysine	ME1102601	1.07	1.26	0.31
2,5-Dimethylphenol	ME1102649	1.03	1.30	0.31
ST 28:2;O;S	ME1102716	1.02	1.31	0.30
FAHFA 3:0/24:1	ME1102818	0.90	1.24	0.69
3-Coumaric acid	ME1102514	0.94	1.22	0.64
Dihydroroseoside	ME1102675	0.95	1.20	0.66
Caffeic acid	ME1102559	0.93	1.21	0.67
Methylsuccinic acid	ME1102518	0.93	1.21	0.68
FAHFA 2:0/18:0	ME1102877	0.90	1.27	0.63
Glu-Gln	ME1103018	0.91	1.25	0.63
Methylgallate	ME1102846	0.92	1.27	0.57
Indole-2-carboxylic acid	ME1102551	0.95	1.24	0.59
Ethyl-β-D-glucuronide	ME1102585	0.95	1.25	0.56
Piceid	ME1103001	0.94	1.26	0.58
Lysopc 14:0	ME1103142	0.99	1.19	0.63
Isobutyryl carnitine	ME1102806	0.99	1.17	0.65
Protocatechuic acid	ME1102541	1.00	1.16	0.66
(+/-)14(15)-DiHET	ME1102799	1.04	1.13	0.65
4-((5-(4-Nitrophenyl)oxazol-2-yl)amino)benzonitrile	ME1102912	1.05	1.12	0.64
Pyrogallol	ME1102574	1.02	1.11	0.73
2,4,6-Trihydroxyacetophenone	ME1102788	1.03	1.12	0.69
Corchorifatty acid F	ME1102712	1.02	1.12	0.70
N-[2-(6-amino-9H-purin-9-yl)ethyl]-N-(2-furylmethyl)amine	ME1103085	1.02	1.13	0.70
9-Methyluric acid	ME1103049	1.07	1.14	0.58
N^-hydroxy-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidamide	ME1102995	1.08	1.13	0.56
SL 21:0;O/20:3	ME1103086	1.07	1.14	0.56
Acetylcarnitine	ME1103152	1.02	1.21	0.50
N-Acetyl-5-aminosalicylic acid	ME1102555	0.98	1.23	0.55
ST 24:1;O4/18:0	ME1102982	1.00	1.20	0.59
Cymarin	ME1102873	1.00	1.20	0.56
N-Acetylsphingosine	ME1102612	1.00	1.20	0.56
Myricetin	ME1102589	0.95	1.32	0.43
1,5-Anhydro-D-glucitol	ME1102993	0.95	1.29	0.47
3-methyl-5-oxo-5-(4-toluidino)pentanoic acid	ME1103135	0.97	1.29	0.44
Mevalonic acid	ME1102755	0.96	1.28	0.50
PE 16:0_19:1	ME1103079	0.94	1.28	0.51
Tetradecanedioic acid	ME1103147	0.93	1.29	0.51
2-Phenylpropionic acid	ME1102704	0.90	1.32	0.50
3-(4-chlorophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid	ME1103006	0.91	1.33	0.47
Cer 8:1;2O/4:0	ME1102978	0.89	1.29	0.59
4,5-Dicaffeoylquinic acid	ME1102944	0.89	1.31	0.54
3-methyl-4-[2-(2-methylphenyl)hydrazono]-4,5-dihydro-1H-pyrazol-5-one	ME1102777	0.87	1.33	0.56
N-Acetyl-L-tyrosine	ME1102616	0.88	1.31	0.57
HexCer 22:0;2O/16:2;O	ME1103120	0.86	1.38	0.48
Dl-3-Hydroxynorvaline	ME1103110	0.86	1.36	0.52
1-Methyluric acid	ME1103184	0.84	1.37	0.54
5-Dehydroquinic acid	ME1102677	0.84	1.35	0.56
L-Aspartic acid	ME1102624	0.84	1.43	0.41
Picrotin	ME1102949	0.81	1.47	0.38
Aldosterone	ME1102781	0.92	1.35	0.40
Dl-3,4-Dihydroxymandelic Acid	ME1103180	0.93	1.38	0.31
N1-(3-cyano-4,6-diphenyl-2-pyridyl)-4-methylbenzamide	ME1102778	0.39	1.51	1.12
Prostaglandin E1 Ethanolamide	ME1102856	0.44	1.32	1.41
cis-Aconitic acid	ME1102924	0.90	0.81	1.61
Glycochenodeoxycholic Acid (sodium salt)	ME1102830	0.95	0.78	1.57
FAHFA 18:2/18:0	ME1103102	0.96	0.75	1.60
JWH 250 N-pentanoic acid metabolite	ME1102874	0.96	0.75	1.60
2,6-Dihydroxypurine	ME1103164	1.01	0.67	1.67
LPE 16:0	ME1103041	0.96	0.71	1.70
PS O-24:2_16:4	ME1103022	0.94	0.71	1.73
5-(1H-indol-3-yl)-3-methylpenta-2,4-dienoic acid	ME1103036	0.73	0.83	1.88
2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-fluoro-1H-benzimidazole	ME1102671	0.82	0.82	1.74
Tyrosylalanine	ME1103187	0.83	0.81	1.73
8-iso-15-keto Prostaglandin F2α	ME1102779	0.82	0.74	1.91
ST 24:1;O4/18:1	ME1102985	0.86	0.75	1.80
2-Furoylglycine	ME1102583	0.86	0.74	1.84
PE O-18:1_18:1	ME1103034	0.88	0.71	1.86
LPA 22:0	ME1102909	0.85	1.02	1.24
Oxaloacetic acid	ME1102573	0.87	0.96	1.35
(2R)-2,3-Dihydroxypropanoic acid	ME1102557	0.87	0.97	1.31
L-Serine	ME1102626	0.87	0.97	1.31
Glucoiberin	ME1103072	0.80	1.09	1.20
6,7-Dihydroxycoumarin	ME1102791	0.76	1.11	1.24
2-(3,4-dimethoxyphenyl)-N-(4-morpholinophenyl)acetamide	ME1103033	0.75	1.10	1.27
Ofloxacin impurity E	ME1103002	0.77	1.09	1.27
(±)9(10)-EpOME	ME1102875	0.82	1.02	1.31
ST 24:1;O4/20:3	ME1103027	0.76	1.06	1.33
13,14-Dihydro-15-keto prostaglandin F2α	ME1102817	0.67	1.16	1.29
3-(3-Methoxyphenyl)propionic acid	ME1103119	0.69	1.15	1.28
3-benzyl-1-butyl-4-hydroxy-1,2-dihydroquinolin-2-one	ME1102693	0.65	1.17	1.33
N-Phenylacetylglutamine	ME1102608	0.65	1.15	1.36
2-Arachidonyl Glycerol ether	ME1103127	0.67	1.14	1.35
LPG 17:1	ME1103113	0.68	1.14	1.33
S-Adenosylhomocysteine	ME1102536	0.67	1.22	1.17
Pimelic acid	ME1102540	0.75	1.18	1.10
8-iso Prostaglandin A2	ME1102838	0.73	1.16	1.18
Adipic acid	ME1102539	0.74	1.15	1.18
8(S)-Hydroxy-(5Z,9E,11Z,14Z)-eicosatetraenoic acid	ME1102565	0.92	0.85	1.47
N1-[1-(3-isopropenylphenyl)-1-methylethyl]-3-oxobutanamide	ME1102941	0.77	1.01	1.42
LPC 18:2	ME1102659	0.76	0.94	1.59
Feruloyl Putrescine	ME1103141	0.78	0.96	1.52
2-Methoxyestrone	ME1102903	0.84	0.91	1.51
DL-methionine sulfoxide	ME1102959	0.83	0.93	1.49
1-(4-chlorophenyl)-3-hydroxy-1,2-dihydroquinoxalin-2-one	ME1102950	0.57	1.13	1.56
Fumaric acid	ME1102576	0.65	1.03	1.63
Stearic acid	ME1103175	0.70	0.95	1.69
2,3-Dinor prostaglandin E1	ME1102727	1.42	0.44	1.37
ST 24:1;O2;G	ME1102865	1.42	0.46	1.32
1a,1b-Dihomo prostaglandin F2α	ME1102672	1.26	0.57	1.42
Citraconic acid	ME1102586	1.31	0.48	1.51
Deoxycholic acid	ME1103122	1.31	0.48	1.49
5-(sec-butyl)-2-hydroxybenzaldehyde N-phenylhydrazone	ME1102686	1.34	0.49	1.42
albiflorin	ME1102952	1.34	0.48	1.44
ST 27:1;O;S	ME1102748	1.17	0.59	1.52
DL-Malic acid	ME1102511	1.11	0.63	1.57
Lysops 22:6	ME1102911	1.14	0.59	1.61
(R)-3-Hydroxy myristic acid	ME1102603	1.38	0.36	1.62
Citric acid	ME1102517	1.22	0.49	1.65
Roquefortine C	ME1102976	1.23	0.52	1.58
LPC 20:3	ME1103007	1.28	0.43	1.67
LPC O-18:1	ME1102930	1.26	0.43	1.71
N6-Succinyl Adenosine	ME1102811	1.20	0.45	1.78
2-Hydroxyestradiol	ME1102882	1.23	0.43	1.75
α-Estradiol	ME1102674	1.22	0.45	1.74
Biotin	ME1103166	0.97	0.60	1.91
2-Hydroxymyristic acid	ME1102689	1.14	0.45	1.90
FAHFA 2:0/24:4	ME1102762	1.14	0.48	1.83
2^-Deoxycytidine 5^-diphosphate (dCDP)	ME1102804	1.11	0.44	1.98
LPC 20:1	ME1103042	1.06	0.50	1.96
FAHFA 5:0/24:4	ME1102774	1.41	0.24	1.81
LPE 17:1	ME1102759	1.40	0.17	1.98
N-Acetyl-1-aspartylglutamic acid	ME1102560	1.22	0.30	2.06
Leukotriene C4	ME1102925	1.29	0.25	2.02
LPC O-16:0	ME1102742	1.28	0.26	2.02
Tretinoin	ME1102655	0.36	0.95	2.37
CUMYL-PICA N-pentanoic acid metabolite	ME1102980	0.36	1.02	2.20
Uridine monophosphate (UMP)	ME1102577	0.45	0.94	2.19
beta-Estradiol 17-Acetate	ME1102869	0.44	1.10	1.88
PE 16:0_18:1	ME1102936	0.64	0.83	2.06
MAM2201 N-pentanoic acid metabolite	ME1102934	0.64	0.88	1.95
PE 17:0_17:1	ME1103057	0.64	0.87	1.98
Ethyl chrysanthemumate	ME1103169	0.62	0.88	1.99
Glycocholic acid	ME1103140	0.63	0.87	2.01
FAHFA 18:1/24:4	ME1102899	0.54	0.96	1.97
NAGly 16:0/24:4	ME1103111	0.53	0.92	2.09
N-Oleoyl dopamine	ME1103170	1.18	0.20	2.35
Uric acid	ME1102604	1.02	0.14	2.78
methadone-d9	ME1102667	0.81	0.31	2.83
Taurolithocholic acid	ME1102654	0.86	0.37	2.62
Decanoic acid	ME1102703	0.81	0.37	2.72
Purine	ME1103015	0.81	0.38	2.70
Mycophenolic acid	ME1102687	0.72	0.54	2.53
Glycoursodeoxycholic acid	ME1102600	0.75	0.50	2.56
LPE 20:3	ME1102888	0.74	0.50	2.57
LPE 18:2	ME1102668	0.79	0.50	2.49
MGDG O-13:1_4:0	ME1103051	0.77	0.54	2.43
2-[6-(1H-benzo[d]imidazol-2-yl)-2-pyridyl]-1H-benzo[d]imidazole	ME1102958	0.57	0.78	2.32
Uridine	ME1102630	0.62	0.62	2.54
1,4-Cyclohexanedicarboxylic acid	ME1102697	0.65	0.65	2.43
Valsartan metabolite	ME1102939	0.63	0.68	2.40
LPC 20:4	ME1102782	0.95	0.41	2.35
JWH 018 N-pentanoic acid metabolite	ME1103039	0.94	0.53	2.11
LPE 20:5	ME1103061	0.91	0.56	2.13
AKB48 N-(4-hydroxypentyl) metabolite	ME1103165	0.76	0.66	2.19
α-D-Glucose-1,6-bisphosphate	ME1102807	0.77	0.64	2.22
17α-Hydroxypregnenolone	ME1103103	0.72	0.71	2.16
N-{6-[(7-chloro-4-quinazolinyl)oxy]-3-pyridinyl}-4-methoxybenzamide	ME1102966	0.68	0.73	2.19
8-iso Prostaglandin F2α Ethanolamide	ME1103047	0.87	0.51	2.30
Inosine	ME1102684	0.77	0.59	2.32
Orotic acid	ME1102530	0.76	0.60	2.32
cGMP	ME1103017	0.25	0.12	4.33
Guanosine-3^,5^-cyclic monophosphate	ME1103185	0.21	0.33	3.99
trans-Petroselinic acid	ME1102718	0.22	0.28	4.06
Guanosine	ME1102617	0.63	0.53	2.72
LPE 22:5	ME1102872	0.61	0.51	2.82
Glycochenodeoxycholic acid	ME1102500	0.50	0.58	2.86
LPC O-16:1	ME1103101	0.52	0.53	2.94
Morphine-3-glucuronide	ME1102826	0.50	0.52	3.00
Cer 19:0;2O/12:0;(3OH)(FA 20:6)	ME1102970	0.34	0.66	3.01
NAGly 18:1/24:4	ME1103025	0.26	0.84	2.80
Myristic Acid	ME1102757	0.82	0.13	3.20
FAHFA 3:0/26:0	ME1102878	0.14	0.53	3.68
ST 24:1;O4/20:2	ME1102946	0.26	0.41	3.69
Cytidine-5^-monophosphate	ME1102965	0.41	0.47	3.27
Cer 18:1;3O/16:0;(2OH)	ME1103055	0.49	0.39	3.30
Sildenafil-d3	ME1103159	0.46	0.41	3.32
16-(Hexopyranosyloxy)-7-hydroxy-8,9-epoxypimaran-18-oic acid	ME1103082	0.58	0.31	3.28
1,3-Dimethyluric acid	ME1102628	0.54	0.42	3.13
LPE 22:4	ME1102906	0.55	0.38	3.19
NAGlySer 15:0/15:0	ME1103089	0.28	0.52	3.43
Glycodeoxycholic acid	ME1102507	0.49	0.27	3.55
Hex3Cer 23:2;2O	ME1102744	0.43	0.37	3.45
LPE 20:4	ME1102663	0.42	0.36	3.50

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

Data matrix