Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004406)

(Analysis AN007367)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10
7-Hydroxy-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one	ME1228928	0.81	0.52	0.57	6.63	1.05	0.16	0.04	0.05	0.06	0.12
Valdecoxib	ME1229333	0.90	0.94	0.64	0.83	0.59	0.04	5.88	0.04	0.06	0.09
2-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)aniline	ME1228805	4.70	0.28	0.25	0.67	3.96	0.04	0.03	0.03	0.03	0.02
Fluticasone_propionate	ME1229037	3.92	0.08	0.22	0.32	5.08	0.06	0.03	0.03	0.05	0.06
Gentamicin	ME1229048	1.52	0.18	0.25	0.35	4.70	0.50	0.64	0.88	0.54	0.45
N-Arachidonoyldopamine	ME1229166	1.65	0.32	0.41	0.48	6.82	0.05	0.04	0.06	0.09	0.07
PC(P-16:0/0:0)	ME1229241	1.94	0.25	0.42	0.39	6.60	0.07	0.08	0.10	0.08	0.08
Isoverticine	ME1229089	1.25	0.05	NA	0.12	5.48	0.06	0.24	0.42	0.17	0.04
Peimine	ME1229247	1.25	0.05	NA	0.12	5.48	0.06	0.24	0.42	0.17	0.04
1H-Pyrrole-2,5-dione, 1-[6-[[(17.beta.)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]-	ME1228772	1.94	0.75	0.91	0.92	5.38	0.02	0.02	0.01	0.04	0.02
LPE(P-16:0)	ME1229112	2.03	0.55	0.67	0.78	5.79	0.02	0.03	0.03	0.05	0.03
PC(P-18:1(9Z)/0:0)	ME1229242	2.31	0.32	0.47	0.43	5.29	0.19	0.22	0.37	0.18	0.22
Haplamine	ME1229060	1.37	0.40	0.66	0.62	5.54	0.27	0.19	0.29	0.36	0.31
sn-Glycerol 3-phosphate	ME1229292	1.69	0.63	0.63	0.46	5.66	0.14	0.21	0.22	0.24	0.12
3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one	ME1228854	1.96	0.10	0.26	0.26	5.41	0.47	0.32	0.29	0.50	0.44
1-O-Hexadecyl-sn-glycero-3-phosphocholine (LPC(O-16:0/0:0))	ME1228788	1.90	0.18	0.31	0.46	5.72	0.27	0.25	0.27	0.30	0.36
LPC(O-22:1)	ME1229110	1.69	0.26	0.27	0.35	5.87	0.24	0.11	0.28	0.25	0.29
PC(18:0/14:0)	ME1229219	0.87	0.85	5.08	0.82	1.00	0.12	0.50	0.38	0.21	0.18
Oxohexadecadienoylcarnitine (Car(16:3-O))	ME1229199	0.18	4.18	1.61	1.40	0.33	0.51	0.49	0.34	0.26	0.47
(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al_14-xyloside	ME1228739	0.79	3.52	2.98	1.66	0.44	0.08	0.13	0.14	0.11	0.14
N-Acetylhistamine	ME1229160	1.10	4.18	2.33	1.42	0.21	0.06	0.24	0.17	0.23	0.05
Tandutinib	ME1229300	0.03	3.71	0.73	0.26	0.02	0.55	1.74	1.13	0.63	0.50
Taurodeoxycholic acid	ME1229305	0.17	3.47	1.48	0.27	0.12	0.93	1.27	0.59	0.45	1.19
Taurohyodeoxycholic acid	ME1229306	0.17	3.47	1.48	0.27	0.12	0.93	1.27	0.59	0.45	1.19
4-Amino-6-methoxy-3-quinolinecarboxylic acid	ME1228888	1.72	3.22	0.92	0.96	1.19	0.35	0.33	0.36	0.33	0.62
Apocholic acid	ME1228949	0.63	3.22	0.49	0.35	1.44	0.91	0.38	1.04	1.42	0.13
EDTA	ME1229021	3.49	0.76	0.94	0.88	1.36	0.16	1.90	0.14	0.17	0.19
Decenedioylcarnitine (Car(10:1-O2))	ME1229002	0.43	0.31	1.31	2.36	0.52	0.44	1.71	2.16	0.55	0.21
Reserpine	ME1229273	0.68	0.73	0.86	1.40	1.43	0.19	0.77	2.78	0.98	0.13
PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))	ME1229229	0.70	1.42	0.58	0.81	0.21	0.59	1.15	3.39	0.68	0.46
PC(40:7)	ME1229238	0.41	1.00	1.50	1.18	0.46	0.38	1.09	2.82	0.71	0.45
Moxonidine	ME1229145	1.88	0.14	0.25	0.33	3.73	0.87	0.52	0.55	0.89	0.84
2-Amino-7-phenyl-7,8-dihydro-5(6H)-quinazolinone	ME1228822	1.63	0.17	0.26	0.32	2.92	1.14	0.69	0.69	1.11	1.05
4-Chloro-N-(5-fluoro-2-methylphenyl)benzamide	ME1228893	1.84	0.17	0.27	0.34	3.21	0.98	0.61	0.61	1.02	0.95
Cyanazine	ME1228990	1.83	0.23	0.39	0.48	3.09	0.90	0.61	0.63	0.98	0.86
LPC(O-20:0)	ME1229109	1.43	0.39	0.43	0.52	2.92	0.69	0.44	1.36	0.83	0.99
PC(18:0)	ME1229218	1.16	0.49	0.46	0.62	2.91	0.84	0.78	0.70	1.00	1.03
Propanoic acid, 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methyl-	ME1229265	1.25	0.17	0.25	0.23	2.85	0.99	1.24	0.89	0.94	1.18
3-Amino-1,1,1-trifluoro-2-butanol	ME1228855	1.04	0.74	0.93	0.72	3.10	0.66	0.74	0.84	0.53	0.71
Carbadox	ME1228978	1.23	0.29	0.53	0.71	3.74	0.77	0.65	0.57	0.93	0.57
16-Oxokahweol	ME1228765	0.90	0.09	0.13	1.79	3.36	0.75	0.89	0.94	0.56	0.44
1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]hydrazide	ME1228795	0.91	0.77	0.89	1.35	3.17	0.54	0.33	0.37	1.24	0.43
1H-Pyrazolo[3,4-b]pyridine	ME1228771	1.46	0.35	0.48	1.77	4.04	0.23	0.26	0.22	0.56	0.62
Glycerophosphocholine	ME1229055	1.97	0.42	0.80	0.96	3.67	0.51	0.34	0.35	0.54	0.45
N-Methyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]amine	ME1229178	0.82	0.33	0.42	0.46	1.66	2.62	0.70	0.67	0.81	1.51
3-Piperidin-4-ylpropanoic acid	ME1228873	1.12	0.28	0.37	1.27	2.03	1.28	0.53	0.70	1.02	1.39
Benzoylcarnitine (Car(7:4))	ME1228960	1.24	0.23	0.69	1.53	2.28	1.04	0.62	0.13	1.00	1.24
4-[5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline	ME1228886	1.22	0.12	0.20	0.29	2.33	1.10	0.81	0.77	1.27	1.88
1,3-Dimethyluric acid	ME1228759	0.91	0.11	0.15	0.72	1.69	1.51	0.62	0.45	1.68	2.16
Trabectedin	ME1229318	1.40	0.05	0.12	0.19	1.27	1.63	0.83	0.83	1.74	1.62
Undecenedioylcarnitine (Car(11:1-O2))	ME1229330	0.59	0.37	1.89	3.40	0.70	1.16	0.26	0.21	0.37	0.04
N,N^-Dimethylurea	ME1229148	0.99	0.62	1.60	0.64	2.02	0.86	0.76	0.45	0.87	1.20
Ouabain	ME1229196	0.79	0.49	1.18	0.40	2.22	0.50	0.75	1.21	0.56	1.72
1,3-Oxazinan-2-imine	ME1228760	0.45	1.22	0.76	1.61	1.82	0.72	0.77	0.88	1.05	0.73
PC(31:0)	ME1229234	0.16	1.05	0.52	1.36	2.63	0.72	0.56	0.59	0.62	0.36
Ophthalmic acid	ME1229193	1.37	0.79	0.95	0.57	2.46	0.18	1.40	1.58	0.56	0.14
Daminozide	ME1228998	0.95	0.41	0.52	1.39	2.13	0.71	1.08	1.32	0.83	0.66
SM(d18:1/22:0)	ME1229290	0.77	0.74	1.02	0.59	1.71	0.72	1.56	1.03	1.20	0.67
Melatonin	ME1229132	1.26	1.77	1.08	1.83	0.38	1.15	0.99	0.09	1.12	0.33
Terfenadine	ME1229308	0.22	1.73	1.77	0.88	0.15	0.33	2.07	2.17	0.38	0.29
12^-Apozeaxanthin	ME1228764	0.73	2.04	1.57	1.20	0.38	0.99	1.02	0.77	0.54	0.53
Tridecenoylcarnitine (Car(13:1))	ME1229321	0.67	2.19	1.40	0.86	0.82	1.31	0.84	0.74	0.66	0.51
Carbidopa	ME1228980	0.41	2.97	1.24	1.03	0.65	0.47	1.06	0.96	0.77	0.45
Ligustrazine	ME1229098	0.93	2.50	1.45	0.77	0.67	0.64	0.88	0.91	0.55	0.71
Myriocin	ME1229146	0.81	2.62	1.77	1.07	0.80	0.34	1.04	0.85	0.35	0.35
2-Docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine	ME1228831	1.49	1.07	2.04	1.05	0.52	0.29	0.88	1.70	0.71	0.25
SM(d18:0/16:0)	ME1229285	0.70	1.12	1.50	1.33	1.11	0.18	1.76	1.39	0.70	0.20
SM(d18:0/18:0)	ME1229286	0.60	1.00	1.57	0.88	1.04	0.28	1.87	1.60	0.84	0.32
SM(d18:1/18:0)	ME1229288	0.79	1.34	1.62	1.19	1.37	0.24	1.21	1.34	0.62	0.29
(22E,24R)-Stigmasta-4,22-diene-3,6-dione	ME1228734	0.96	1.57	1.30	0.82	1.11	0.41	1.51	1.29	0.69	0.34
Car(18:1)	ME1228977	0.88	1.64	1.52	0.94	1.23	0.34	1.32	1.29	0.61	0.23
Nonadecanoylcarnitine (Car(19:0))	ME1229184	0.76	1.32	1.68	1.64	0.74	0.27	1.25	1.48	0.59	0.28
Oxopalmitoleylcarnitine (Car(16:2-O))	ME1229201	0.64	1.70	1.61	0.95	0.54	0.64	1.29	1.49	0.67	0.47
1-Methylnicotinamide	ME1228780	0.59	1.84	1.32	1.41	0.82	0.31	1.32	1.32	0.68	0.39
Oxopalmitoylcarnitine (Car(16:1-O))	ME1229202	0.88	1.65	1.71	1.20	0.70	0.38	1.47	1.14	0.60	0.28
Argininic_acid	ME1228955	0.54	1.76	0.77	0.94	0.45	1.53	0.73	0.51	1.31	1.46
5-Nitro-N-(3-pyridinylmethyl)-2-furamide	ME1228911	1.59	0.45	0.48	0.52	0.95	1.25	1.09	1.09	1.38	1.21
2-(S-Glutathionyl)acetyl_chloride	ME1228812	1.56	0.60	0.76	0.90	1.15	1.11	0.93	0.89	1.09	0.99
DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0)	ME1229005	1.46	0.50	0.69	0.73	1.24	0.81	0.97	1.18	1.16	1.25
1,1-Dimethylurea	ME1228755	1.31	0.78	0.66	0.76	0.41	1.11	1.20	1.20	1.42	1.15
1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine	ME1228756	1.30	0.53	1.12	0.91	0.48	0.96	1.24	1.40	1.37	0.68
N-Methyltrimethylacetamide	ME1229180	1.33	0.98	1.12	0.98	0.70	0.74	1.23	1.11	1.10	0.70
PC(37:6)	ME1229237	0.53	0.78	1.32	0.52	0.67	0.65	1.23	1.63	1.13	1.55
1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine	ME1228792	0.76	0.43	1.50	0.51	0.32	1.43	0.93	0.90	1.58	1.63
Diisopropyl_sulfide	ME1229010	0.54	0.89	1.28	0.80	0.62	0.96	1.22	1.08	1.33	1.28
DL-Homocysteine thiolactone	ME1229014	0.70	0.71	1.05	0.96	0.54	1.22	0.88	0.82	1.50	1.61
N6,N6,N6-Trimethyllysine	ME1229156	0.46	1.14	0.90	0.91	0.57	0.82	1.74	1.53	1.22	0.72
Prolylhydroxyproline	ME1229263	0.31	1.16	1.25	0.85	0.74	0.75	1.41	1.69	1.22	0.62
3-Hydroxy-4-aminopyridine	ME1228864	0.70	1.29	1.02	1.11	0.66	0.61	1.25	2.02	0.61	0.74
1-Methylinosine	ME1228779	0.37	1.14	1.17	1.47	0.75	0.79	1.22	1.54	0.87	0.67
Nervonyl carnitine [M]	ME1229169	0.55	0.75	1.30	1.10	0.59	0.58	1.35	1.86	1.02	0.89
Lysine	ME1229120	0.38	0.86	0.86	0.92	0.50	1.66	1.31	1.12	1.03	1.38
Oxononanoylcarnitine (Car(9:1-O))	ME1229200	0.49	0.97	0.98	0.67	0.87	1.39	1.54	1.06	0.90	1.13
3-Methylhistidine	ME1228871	0.32	1.15	0.92	0.68	0.48	1.15	1.19	1.54	1.39	1.18
5-Methylisoxazol-3-amine	ME1228910	0.83	1.03	0.81	0.91	0.54	0.97	1.32	1.59	1.10	0.89
PC(18:3(6Z,9Z,12Z)/15:0)	ME1229226	0.60	0.70	0.82	0.85	0.46	1.14	1.54	1.56	1.25	1.08
[(7-Oxo-7H-benzo[de]anthracen-3-yl)sulfanyl]acetic acid	ME1228746	0.26	0.85	0.71	1.11	0.67	1.27	1.44	1.20	1.29	1.21
Tris(2,4-di-tert-butylphenyl)phosphate	ME1229325	0.45	0.69	0.56	0.85	1.06	1.24	1.28	1.50	1.20	1.18
Acetoin	ME1228937	0.43	0.65	0.82	0.75	0.77	1.34	1.43	1.32	1.16	1.33
Butanoic acid	ME1228970	0.43	0.65	0.82	0.75	0.77	1.34	1.43	1.32	1.16	1.33
1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine	ME1228750	0.65	0.79	0.74	0.78	0.67	1.17	1.06	1.42	1.24	1.48
(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol_3-glucoside	ME1228735	0.77	0.88	0.75	0.80	0.79	1.20	1.21	1.27	1.14	1.19
Caprolactam	ME1228975	0.59	0.91	0.73	0.90	0.64	1.27	1.26	1.39	1.11	1.21
DMPO	ME1229015	0.59	0.91	0.73	0.90	0.64	1.27	1.26	1.39	1.11	1.21
CRUSTECDYSONE	ME1228989	0.84	0.93	0.87	1.24	0.58	1.28	1.16	1.08	1.01	0.99
4-Chloro-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone	ME1228891	0.58	0.91	0.96	1.15	0.72	0.86	1.44	1.17	1.17	1.05
Glycerophospho-N-palmitoylethanolamine	ME1229056	0.62	1.10	0.96	1.20	0.75	0.92	1.07	1.32	1.18	0.88
6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine	ME1228914	1.03	1.34	1.02	1.15	0.57	0.78	0.99	1.11	0.84	1.18
N5-(1-Iminoethyl)-L-ornithine	ME1229155	0.97	1.11	1.04	1.28	0.44	0.77	1.24	1.42	0.95	0.78
2-Ethylpyrazine	ME1228835	0.77	1.14	1.19	0.73	0.71	1.48	1.16	1.04	0.85	0.95
Nonenoylcarnitine (Car(9:1))	ME1229186	0.63	1.24	1.26	0.87	0.53	1.66	1.07	1.05	0.88	0.81
8,11-Tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, methyl ester, (8Z,11Z)-	ME1228931	0.64	1.41	1.11	0.96	0.60	1.05	1.35	1.09	0.93	0.86
Desisopropyldisopyramide	ME1229004	0.54	1.21	1.09	1.06	0.38	1.16	1.52	1.15	1.03	0.85
Betaine aldehyde	ME1228965	0.65	1.30	0.92	0.94	0.56	1.13	1.12	1.06	1.13	1.19
Lauroylcarnitine	ME1229093	0.74	1.23	0.94	0.71	0.69	1.10	1.41	1.01	1.25	0.92
Octanoylcarnitine (Car(8:0))	ME1229191	0.70	1.14	1.05	0.71	0.56	1.29	1.25	1.05	1.21	1.03
Decanoylcarnitine (Car(10:0))	ME1229001	0.40	1.27	0.72	0.63	0.63	1.20	1.59	1.16	1.34	1.01
Tetradecenedioylcarnitine (Car(14:1-O2))	ME1229309	0.42	1.68	1.01	0.66	0.59	1.16	1.28	0.94	1.25	1.01
Daltogen	ME1228997	0.47	0.86	0.60	1.03	0.81	0.83	1.13	1.48	1.69	1.08
Palmitamide	ME1229204	0.71	0.58	0.51	0.56	1.15	0.72	1.25	1.36	1.97	1.18
LysoPC(24:1(15Z))	ME1229127	0.68	0.40	0.55	1.40	0.80	1.22	1.03	1.26	1.36	1.31
5,6-Dihydrouridine	ME1228904	0.81	0.48	0.62	0.61	0.82	1.42	1.62	1.43	1.19	0.99
1-Palmitoyllysophosphatidate	ME1228793	0.86	0.37	0.46	0.77	0.72	1.61	1.33	1.16	1.15	1.46
PC(37:4)	ME1229236	0.71	0.49	0.50	0.52	1.24	1.74	1.15	1.24	1.13	1.28
4-(4-Chlorophenyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile	ME1228881	0.83	1.00	0.85	0.93	0.96	1.87	0.54	0.52	0.85	1.63
N-Methylglycine N,N-dimethylamide	ME1229176	1.11	0.62	0.87	0.85	0.96	1.42	0.90	0.98	1.09	1.21
N-Methyl-L-proline	ME1229177	1.19	0.79	0.86	0.83	1.03	1.51	0.71	0.73	0.88	1.49
Fagomine	ME1229033	0.71	0.51	0.85	0.91	1.04	1.58	0.81	0.87	1.32	1.41
PC(22:2)	ME1229232	0.65	0.83	1.04	1.00	1.03	1.53	0.82	0.96	1.11	1.03
2-(4-Oxo-4H-quinazolin-3-yl)-propanoic acid	ME1228806	1.05	0.97	0.98	1.34	1.08	1.07	0.56	0.67	0.62	1.65
3-(Aminocarbonyl)benzoic acid	ME1228847	0.95	0.93	0.95	1.11	1.23	1.32	0.66	0.33	0.99	1.52
3-AMINO-2-PIPERIDONE	ME1228857	0.95	0.70	0.81	1.30	1.44	1.11	0.80	0.41	1.04	1.44
Methionine sulfoxide	ME1229136	0.84	0.76	0.91	1.36	1.21	0.88	0.81	0.44	1.29	1.51
Emetamine	ME1229024	0.88	0.71	1.16	0.86	1.06	1.18	0.68	0.60	0.71	2.17
3-Amino-2-oxazolidinone	ME1228856	0.91	1.08	0.55	0.68	1.04	1.25	0.72	0.61	1.48	1.68
3-Quinolinecarbaldehyde	ME1228875	0.63	0.96	0.84	0.82	1.00	1.23	0.73	0.81	1.11	1.84
Xanthurenic acid	ME1229339	0.71	1.11	0.87	0.82	1.29	0.90	0.66	0.49	1.12	2.02
4,4,6-Trimethyl-1-(4-methylphenyl)-1,4-dihydro-2-pyrimidinethiol	ME1228883	1.39	1.40	0.96	0.89	1.67	0.97	0.63	0.50	0.68	0.90
9Z,11E,13E-Octadecatrienoic acid	ME1228935	1.58	1.30	0.85	0.97	1.66	0.85	0.85	0.44	0.61	0.88
L-Serine methyl ester	ME1229117	1.30	1.19	1.33	1.31	2.06	0.64	0.38	0.38	0.40	1.00
5-Amino-1-methyl-2-piperidinone	ME1228905	1.08	1.17	1.33	1.16	1.71	0.74	0.73	0.70	0.61	0.77
2-Aminoadipic acid	ME1228823	1.08	0.99	1.17	1.28	1.82	0.88	0.63	0.62	0.68	0.85
N-Methylglutamic acid	ME1229175	1.08	0.99	1.17	1.28	1.82	0.88	0.63	0.62	0.68	0.85
2-Acetylthiazole	ME1228819	0.98	1.22	1.31	1.40	1.37	0.51	0.99	0.92	0.80	0.50
Taurine	ME1229303	1.00	1.23	1.32	1.40	1.38	0.51	0.98	0.90	0.79	0.50
3(2H)-Pyridazinone, 4-chloro-5-(4-morpholinyl)-	ME1228846	1.04	1.43	1.22	1.49	1.40	0.59	0.76	0.77	0.75	0.56
Betaine	ME1228964	1.10	1.43	1.25	1.43	1.39	0.62	0.77	0.70	0.69	0.63
Hexenoylcarnitine (Car(6:1))	ME1229069	1.09	1.23	1.44	1.59	1.65	0.66	0.62	0.53	0.63	0.56
7-Hydroxy-2-acetylaminofluorene	ME1228927	0.89	1.22	1.61	1.57	1.31	0.72	0.69	0.65	0.69	0.64
Serine	ME1229279	0.69	1.29	1.59	1.88	1.22	0.69	0.62	0.60	0.71	0.70
N-Acetylsulfamethoxazole	ME1229164	1.49	0.78	1.16	1.37	1.47	0.74	0.76	0.75	0.80	0.70
PC(18:1(11Z)/15:0)	ME1229221	1.20	0.85	1.00	1.53	1.29	1.04	0.70	0.69	1.00	0.71
2-(2-Methoxyethoxy)ethanamine	ME1228799	1.32	0.94	1.11	0.95	1.57	0.92	0.64	0.66	0.97	0.92
PE(18:3(9Z,12Z,15Z)/P-18:1(9Z))	ME1229245	1.32	0.84	1.55	1.03	1.25	0.89	0.62	0.67	1.00	0.83
[3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate	ME1228747	0.99	1.09	1.06	1.18	1.19	0.95	0.90	0.71	1.00	0.93
1-O-Hexadecyl-2-O-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholine	ME1228785	1.02	1.10	1.29	1.12	1.03	0.87	0.79	0.88	0.84	1.06
3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	ME1228853	1.16	0.88	1.29	1.20	1.13	0.95	0.72	0.86	0.80	1.00
Mintsulfide	ME1229143	0.96	1.04	1.26	1.42	1.36	0.77	0.84	0.69	0.80	0.86
2-Ethylbutan-1-amine	ME1228834	0.77	1.21	1.46	1.17	1.34	0.84	0.66	0.65	0.86	1.04
7-Amino-4-methylquinolin-2-ol	ME1228925	1.00	1.35	1.29	1.12	1.31	0.69	0.64	0.72	0.86	1.02
Nootkatone	ME1229187	1.19	1.24	1.19	1.22	1.26	0.65	0.74	0.49	1.18	0.84
3-tert-Butyl-5-isoxazolylamine	ME1228876	1.40	1.46	0.98	1.05	1.23	0.80	0.75	0.65	0.74	0.95
4-(4-Piperidinyl)morpholine	ME1228882	1.46	1.10	1.13	1.17	1.17	0.83	0.73	0.73	0.83	0.84
4-Amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol	ME1228887	1.25	1.24	1.25	1.30	1.26	0.75	0.73	0.77	0.73	0.73
4-Amino-N-(2-fluorophenyl)benzenesulfonamide	ME1228890	0.88	1.20	1.08	1.05	1.81	0.78	1.08	0.99	0.67	0.46
Palmitoleylcarnitine (Car(16:1))	ME1229205	1.16	1.32	1.14	0.85	1.79	0.43	1.34	1.06	0.63	0.29
Imidazoleacetic acid	ME1229077	1.54	1.20	1.08	0.75	1.03	0.88	1.17	1.14	0.63	0.58
Dye X-5380-110B	ME1229020	0.94	1.01	1.19	1.40	1.25	0.40	0.98	1.44	0.73	0.67
2-(2-Naphthyl)-1,3-benzoxazol-5-amine	ME1228800	1.45	1.32	1.22	1.26	1.29	0.32	0.78	1.17	0.59	0.60
Ethyl 5-(2-chloroacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate	ME1229031	1.38	1.16	1.12	1.13	1.15	0.38	0.92	1.38	0.69	0.69
LPG(18:1(9Z))	ME1229113	0.58	1.72	1.13	1.52	0.53	0.73	1.04	1.02	0.76	0.97
3-Ureidoisobutyric acid	ME1228877	0.93	0.91	1.07	1.78	1.31	0.55	1.22	0.72	0.54	0.97
5-Bromo-4-isopentylpyrimidine	ME1228907	0.65	1.15	1.35	1.59	1.11	0.92	1.16	0.71	0.45	0.90
cis-4-Decenoylcarnitine	ME1228984	0.48	1.65	1.13	0.97	1.05	1.12	1.06	0.94	0.87	0.73
Polyoxyethylene_(600)_mono-_ricinoleate	ME1229260	0.47	1.55	1.23	1.30	1.45	0.70	1.16	0.75	0.88	0.76
Oxodecanoylcarnitine (Car(10:1-O))	ME1229197	0.74	1.33	1.30	1.01	1.23	0.74	1.27	1.03	0.87	0.49
Pro-Leu	ME1229261	0.64	1.15	1.16	1.07	1.03	0.64	1.38	1.17	0.87	0.91
PC(18:1(9Z)/P-18:0)	ME1229224	0.90	0.87	1.25	1.35	1.03	0.66	1.27	0.86	0.96	0.86
Phenylalanine	ME1229250	0.49	1.07	1.41	1.45	0.75	0.64	1.13	1.04	0.93	1.08
Acetophenazine	ME1228938	1.20	0.98	1.31	1.03	0.89	0.66	0.54	1.07	1.51	0.83
LPI(18:0)	ME1229114	0.88	0.95	1.39	1.30	1.11	0.59	0.84	0.87	1.38	0.69
Hexaethylene glycol	ME1229067	0.56	0.60	1.10	0.66	1.36	1.08	1.06	1.22	0.90	1.47
PC(16:0/16:0)	ME1229213	0.19	0.77	1.37	0.81	1.42	1.25	0.93	0.88	1.21	1.17
PC(P-32:0)	ME1229243	0.78	0.55	1.47	1.12	1.19	1.05	0.67	0.71	1.23	1.24
3,3-Dimethylcyclohexanone	ME1228848	1.06	0.77	0.87	0.83	1.40	0.88	0.83	0.86	1.58	0.93
2-Amino-6-ethyl-4(3H)-pyrimidinone	ME1228821	0.52	0.86	0.84	0.88	1.20	0.97	1.14	0.91	1.36	1.31
(2R)-6-Oxo-2-piperidinecarboxylic acid	ME1228738	0.78	0.99	0.77	0.86	1.36	0.95	0.97	0.82	1.14	1.36
Tetraethylene glycol	ME1229313	0.70	0.85	1.44	1.20	1.12	1.07	0.99	0.82	0.86	0.95
5,6,7,8-Tetrahydrothieno[2,3-b]quinolin-4-amine	ME1228903	0.79	0.87	1.38	1.13	1.19	0.88	0.92	0.89	1.18	0.77
SM(d16:1/24:1(15Z))	ME1229283	0.74	0.98	1.38	0.94	1.49	0.78	0.91	0.91	1.03	0.86
IS6	ME1229081	0.65	0.94	0.99	1.17	1.32	1.05	0.94	0.95	0.94	1.04
Uridine	ME1229331	0.90	1.06	0.96	0.94	1.40	1.04	0.72	0.86	1.08	1.05
L-Azetidine-2-carboxylic acid	ME1229094	0.91	0.95	0.84	0.85	1.10	1.03	1.06	1.07	1.12	1.08
IS4	ME1229079	0.72	0.95	1.07	1.14	1.00	1.03	1.04	1.05	1.01	0.99
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	ME1229233	0.90	1.09	1.15	1.04	0.96	0.89	0.86	1.06	1.09	0.95
Dodemorph	ME1229017	0.41	1.25	1.07	1.11	0.80	0.96	0.94	0.66	1.71	1.08
Dihydrothymine	ME1229008	0.91	1.36	1.02	1.41	1.02	1.15	0.67	0.65	0.69	1.11
Miltirone	ME1229142	1.21	1.08	1.36	1.33	0.66	1.22	0.59	0.60	0.80	1.16
2-Methoxybenzoic-acid	ME1228837	0.96	1.27	1.19	1.14	0.69	1.26	0.77	0.53	1.01	1.17
2^,4^-Dihydroxyacetophenone	ME1228814	0.96	1.27	1.19	1.14	0.69	1.26	0.77	0.53	1.01	1.17
2^,6^-Dihydroxyacetophenone	ME1228816	0.96	1.27	1.19	1.14	0.69	1.26	0.77	0.53	1.01	1.17
LPE(18:1(9Z)/0:0)	ME1229111	0.56	1.29	1.07	1.50	0.69	1.11	0.79	0.81	1.20	1.00
4-Guanidinobutyric acid	ME1228895	0.94	0.99	1.11	1.63	1.00	0.97	0.63	0.46	1.14	1.12
Arginine	ME1228954	0.60	1.18	1.34	1.57	0.83	0.81	0.81	0.73	1.06	1.08
2^-O-methylcytidine	ME1228841	0.69	0.89	1.43	1.77	0.94	0.82	0.77	0.78	0.99	0.90
3^-O-methylcytidine	ME1228872	0.69	0.89	1.43	1.77	0.94	0.82	0.77	0.78	0.99	0.90
1-O-Hexadecyl-2-O-(2E-butenoyl)-sn-glyceryl-3-phosphocholine	ME1228784	0.77	0.79	1.00	1.94	0.78	1.02	0.69	0.84	1.19	0.97
Threonine	ME1229316	0.70	0.87	1.01	1.54	0.90	0.92	1.00	0.89	1.17	1.00
2-Cyano-L-phenylalanine	ME1228830	0.52	1.61	1.88	1.78	1.29	0.70	0.39	0.45	0.50	0.88
Tryptophan	ME1229326	0.36	1.35	1.75	1.88	1.51	0.55	0.48	0.46	0.57	1.07
6-Methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one	ME1228923	0.73	1.27	1.22	1.86	1.36	0.85	0.62	0.32	0.89	0.88
Methionine	ME1229135	0.66	1.28	1.48	1.75	1.18	0.87	0.51	0.30	0.87	1.09
4-Guanidinobutanamide	ME1228894	0.51	1.33	1.59	1.93	0.61	1.09	0.65	0.38	0.82	1.10
L-NG-Monomethylarginine	ME1229101	0.68	0.96	1.72	1.95	0.90	1.05	0.57	0.45	0.64	1.08
5-Aminopentanoic acid	ME1228906	0.85	1.40	1.98	1.21	0.97	0.59	1.02	0.53	0.92	0.53
Sphingosine	ME1229296	0.55	1.72	1.50	1.55	1.05	0.64	0.65	0.45	1.17	0.73
Homoarecoline	ME1229072	0.96	1.59	1.85	1.68	0.87	0.48	0.45	0.45	1.14	0.53
PC(18:2(9Z,12Z)/P-16:0)	ME1229225	0.82	1.46	1.91	1.60	0.68	0.84	0.53	0.62	0.86	0.69
5-Methylcytidine	ME1228909	0.41	1.30	2.15	2.29	0.92	0.59	0.54	0.63	0.63	0.53
PC(16:0/16:1(9Z))	ME1229214	0.92	1.87	1.52	1.96	0.85	0.72	0.51	0.56	0.60	0.48
N,N-Dimethylarginine (ADMA)	ME1229147	0.76	1.22	1.66	2.31	0.77	0.79	0.63	0.59	0.67	0.61
Isopongaflavone	ME1229086	0.55	1.61	1.78	2.16	0.71	0.41	0.75	0.79	0.58	0.67
Riboflavin	ME1229274	0.65	1.59	1.57	2.03	0.85	0.62	0.78	0.64	0.64	0.64
9,10,11,12-Tetrahydro-9,12-epoxy-1H-diindolo[1,2,3-fg:3^,2^,1^-kl]pyrrolo[3,4-i][1,6]benzodiazocine-1,3(2H)-dione	ME1228934	0.74	2.23	1.96	1.72	0.80	0.34	0.65	0.51	0.53	0.52
Ethanol, 2-[[3-(2,3-dichlorophenoxy)propyl]amino]-	ME1229027	0.64	1.38	1.56	1.69	0.91	0.69	0.82	0.79	0.74	0.77
N-Nitrosopyrrolidine	ME1229181	0.79	1.60	1.59	1.54	0.96	0.52	0.92	0.93	0.69	0.46
2-(4-(Methylamino)phenyl)benzo[d]thiazol-6-ol	ME1228803	0.55	1.84	1.99	1.50	1.45	0.43	0.72	0.66	0.53	0.33
Glutamine	ME1229053	0.83	1.68	1.81	1.71	1.05	0.50	0.75	0.74	0.53	0.40
1-Methylguanine	ME1228776	0.56	1.73	1.85	1.77	1.14	0.44	0.84	0.76	0.51	0.39
7-Methylguanine	ME1228930	0.56	1.73	1.85	1.77	1.14	0.44	0.84	0.76	0.51	0.39
2-(Diethylamino)acetic acid	ME1228810	1.02	1.04	1.81	1.57	1.61	0.42	0.26	0.93	0.68	0.66
Nicotinamide riboside (NR)	ME1229172	0.85	1.32	1.46	1.81	1.39	0.24	0.61	1.43	0.58	0.31
LysoPC(22:1(13Z))	ME1229125	1.17	0.87	0.99	2.29	1.39	0.53	0.53	0.78	0.84	0.61
Pipecolic acid	ME1229257	1.08	1.52	1.07	1.96	1.48	0.51	0.67	0.36	0.53	0.81
N-Acetylaspartylglutamate (NAAG)	ME1229158	0.47	0.90	2.46	1.58	0.37	0.63	0.94	0.99	0.74	0.93
Pehanorm	ME1229246	0.53	1.40	2.50	1.15	0.59	0.92	0.72	0.71	0.72	0.76
1,3-Dimethylbarbituric acid	ME1228758	0.98	0.91	1.93	1.11	1.21	0.64	1.11	1.07	0.43	0.62
Pentaethylene glycol	ME1229248	0.73	1.11	2.15	1.07	1.53	1.05	0.63	0.65	0.43	0.64
Linoleamide	ME1229099	1.25	1.14	1.20	1.44	2.59	0.30	0.27	0.18	0.46	1.16
Gabapentin	ME1229042	1.24	1.00	1.31	1.10	1.99	0.52	0.49	0.52	1.25	0.58
Prolyl-Tyrosine	ME1229264	1.08	1.07	1.21	1.06	2.21	0.58	0.44	0.25	1.12	0.99
1-Isobutyl-1H-pyrazol-5-ylamine	ME1228774	1.54	1.08	0.93	1.70	1.97	0.72	0.33	0.60	0.55	0.57
2-Bromoacetophenone	ME1228827	1.39	0.90	1.20	1.41	2.35	0.46	0.61	0.47	0.72	0.50
Betonicine	ME1228966	1.38	0.92	1.19	1.48	2.18	0.59	0.47	0.35	0.73	0.70
Lotaustralin	ME1229102	0.88	0.68	1.11	1.70	2.83	0.36	0.80	0.68	0.53	0.43
Oxodecenoylcarnitine (Car(10:2-O))	ME1229198	0.95	1.19	1.02	1.71	2.44	0.39	0.80	0.67	0.50	0.33
1-Hydroxy Vitamin D2	ME1228773	1.34	1.23	1.48	0.96	2.18	0.60	0.83	0.73	0.47	0.18
(Diethylamino)(oxo)acetic acid	ME1228744	1.32	1.31	1.50	1.49	1.93	0.32	0.68	0.78	0.36	0.31
Miglitol	ME1229141	1.42	1.48	1.66	1.66	1.86	0.36	0.44	0.57	0.34	0.22
Damnacanthal	ME1228999	1.10	1.25	1.54	1.29	2.28	0.23	0.60	0.98	0.36	0.36
Varenicline	ME1229338	1.31	1.01	1.59	1.40	2.07	0.12	0.84	0.94	0.17	0.36
(2R)-2-(2,5-Difluorophenyl)pyrrolidine	ME1228736	0.76	1.28	1.54	1.58	2.35	0.56	0.45	0.39	0.54	0.54
Epinephrine	ME1229025	1.13	1.22	1.62	1.65	2.20	0.25	1.12	0.31	0.24	0.26
O-t-Butyl-L-threonine methyl ester	ME1229195	0.71	1.27	1.72	1.58	1.97	0.38	0.91	0.54	0.56	0.37
Pyridine, 2,2^,2^^,2^^^-[ethylenebis(nitrilodimethylene)]tetra-	ME1229269	1.80	1.27	1.26	0.53	2.02	0.78	0.80	0.43	0.58	0.50
2-(3-Pyridinyl)-1H-indole-3-carbaldehyde	ME1228802	2.00	0.56	0.59	0.52	1.86	1.06	0.62	0.65	0.99	1.16
3^,4^,6-Trihydroxy-3,5,7-trimethoxyflavone	ME1228850	2.18	0.57	0.88	1.06	1.75	0.79	0.64	0.65	0.79	0.69
1-Methylpyrrolidine	ME1228782	1.74	1.05	0.77	1.06	1.43	0.75	0.83	0.91	0.77	0.68
4-Phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one	ME1228897	2.09	1.04	0.96	1.24	1.11	0.77	0.55	0.55	0.81	0.89
o-Hydroxybenzylamine	ME1229192	1.79	1.57	1.41	1.47	1.24	1.36	0.17	0.11	0.10	0.19
Lys-Leu	ME1229122	2.13	1.09	1.42	1.17	0.91	0.45	1.06	0.80	0.60	0.39
Cohibin_D	ME1228985	1.81	1.00	1.59	1.07	0.72	0.78	0.61	0.66	1.00	0.75
3-Hydroxy-2-iodo-4-methoxybenzaldehyde	ME1228863	1.67	1.30	1.31	1.06	1.02	0.73	0.70	0.75	0.71	0.74
Methylguanidine	ME1229138	1.91	1.28	1.42	1.07	1.07	0.52	0.80	0.46	0.59	0.87
4,5-Dihydro-2-methylthiazole	ME1228884	1.43	1.69	1.26	1.32	0.65	0.84	0.52	0.24	0.88	1.18
Dihydroxyacetone_Phosphate_Acyl_Ester	ME1229009	1.65	1.76	1.03	1.07	1.01	0.85	0.60	0.64	0.64	0.75
Hymexazole	ME1229074	1.40	1.61	1.15	0.97	0.76	0.86	0.86	0.77	0.75	0.88
1-Methylpseudouridine	ME1228781	1.54	2.13	1.11	1.18	1.76	0.30	0.59	0.65	0.44	0.28
Bistris	ME1228968	1.13	1.46	1.73	1.45	1.42	0.17	0.60	0.84	0.94	0.26
Diethanolamine	ME1229007	1.60	1.71	1.78	1.51	1.16	0.15	0.47	0.51	0.96	0.14
Fomepizole	ME1229038	1.47	1.75	1.34	1.54	1.09	0.50	0.80	0.54	0.48	0.49
Hexanoylcarnitine (Car(6:0))	ME1229068	1.25	1.67	1.86	1.73	0.99	0.60	0.51	0.45	0.48	0.46
Lauric diethanolamide	ME1229092	1.23	1.45	1.74	1.57	1.15	0.56	0.59	0.61	0.54	0.55
Na,Na-Dimethylhistamine	ME1229157	1.94	1.69	1.31	1.31	1.51	0.47	0.46	0.22	0.38	0.70
gamma-Glutamylalanine	ME1229044	1.99	0.97	1.48	1.45	1.60	0.47	0.46	0.49	0.64	0.45
3,3-Dimethylpyrrolidin-2-one	ME1228849	1.88	1.22	1.65	1.73	1.36	0.46	0.45	0.40	0.38	0.47
PC(20:5(5Z,8Z,11Z,14Z,17Z)/15:0)	ME1229231	1.77	1.22	1.35	1.78	1.71	0.36	0.42	0.51	0.52	0.37
N-Methyl-D-aspartic acid	ME1229174	1.44	1.41	1.32	1.41	1.50	0.91	0.36	0.29	0.55	0.81
1-(3,4-Dichlorophenyl)pyrrolidine	ME1228753	1.46	1.48	1.65	1.69	1.47	0.26	0.53	0.54	0.46	0.47
3-(2,6-Dimethyl-4-morpholinyl)-N-phenylpropanamide	ME1228845	1.59	1.51	1.12	1.50	1.53	0.53	0.58	0.52	0.51	0.62
Quinidine	ME1229272	1.52	1.42	1.42	1.27	1.66	0.49	0.44	0.52	0.58	0.68
[4-(3,4-Dichlorophenyl)-5-(4-pyridyl)thiazol-2-yl]amine	ME1228748	1.45	1.32	1.44	1.52	1.38	0.48	0.64	0.54	0.62	0.61
4-Piperidinecarboxamide	ME1228898	1.51	1.34	1.55	1.41	1.46	0.67	0.56	0.44	0.55	0.51
Butalbital	ME1228969	2.10	0.45	0.39	3.69	2.68	0.15	0.13	0.13	0.14	0.15
Ethyl 2-(allylamino)-4-methyl-1,3-thiazole-5-carboxylate	ME1229029	3.05	0.70	0.58	2.28	2.87	0.07	0.07	0.01	0.11	0.26
N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide	ME1229149	0.80	1.37	1.93	2.17	3.08	0.08	0.16	0.16	0.13	0.11
1-Dodecyl-2-pyrrolidinone	ME1228768	0.61	1.58	1.62	1.46	2.98	0.37	0.22	0.12	0.46	0.41
L-Menthone_1,2-glycerol_ketal	ME1229100	0.43	1.68	2.05	1.64	3.26	0.14	0.23	0.26	0.19	0.12
arborinine	ME1228952	1.97	1.27	1.27	1.48	3.96	0.01	0.01	0.01	0.01	0.01
Cer(d18:1/16:0)	ME1228983	1.13	1.00	1.43	1.18	3.48	0.26	0.50	0.49	0.31	0.21
2-Dodecylbenzenesulfonic_acid	ME1228833	1.35	1.22	1.35	1.59	3.53	0.24	0.15	0.19	0.20	0.19
Ala-Val	ME1228944	1.42	1.32	1.09	1.92	3.14	0.23	0.37	0.13	0.13	0.26
3-Pyridylacetic acid	ME1228874	1.58	1.61	1.60	1.93	3.08	0.03	0.05	0.05	0.03	0.03
LPC(22:6)	ME1229108	2.14	1.51	1.52	1.79	2.88	0.04	0.03	0.03	0.03	0.02
Cafestol	ME1228972	1.39	1.48	1.55	1.32	3.06	0.08	0.10	0.03	0.13	0.08
SM(d18:1/20:0)	ME1229289	1.39	1.57	2.24	1.43	3.31	0.01	0.01	0.02	0.01	0.01
Benzeneacetamide, 4-(4,9-diethoxy-1,3-dihydro-1-oxo-2H-benz[f]isoindol-2-yl)-N-(phenylsulfonyl)-	ME1228959	2.13	0.19	0.63	1.21	2.57	0.68	0.38	0.41	0.77	0.67
S-Formylglutathione	ME1229282	2.17	0.53	0.85	1.05	2.68	0.62	0.47	0.48	0.58	0.58
4-[4-(Trifluoromethoxy)phenoxy]piperidine	ME1228885	3.64	0.42	0.92	1.10	2.49	0.23	0.33	0.26	0.36	0.24
Cyclocytidine	ME1228991	3.12	0.40	0.61	0.71	2.87	0.53	0.37	0.37	0.54	0.49
Etofylline	ME1229032	2.99	0.40	0.53	0.65	2.85	0.57	0.44	0.45	0.58	0.54
Adenosine dialdehyde	ME1228942	3.08	1.74	1.44	1.03	2.01	0.13	0.24	0.16	0.10	0.07
Met-Thr	ME1229140	2.95	1.10	1.68	1.11	2.70	0.09	0.09	0.06	0.13	0.08
Ile-Leu	ME1229076	2.02	0.79	1.06	0.94	2.51	0.01	0.01	0.01	0.01	0.00
Leu-Ile	ME1229096	2.02	0.79	1.06	0.94	2.51	0.01	0.01	0.01	0.01	0.00
Phe-Pro	ME1229252	2.33	1.08	1.37	1.35	1.83	0.18	0.59	0.70	0.37	0.20
5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid	ME1228902	1.92	1.05	1.26	1.96	2.36	0.33	0.25	0.20	0.35	0.30
Guanidoacetic acid	ME1229059	2.14	1.07	1.09	1.27	2.44	0.44	0.39	0.27	0.36	0.52
Tyr-Val	ME1229328	1.79	1.01	1.59	1.16	2.63	0.32	0.25	0.14	0.58	0.53
2-Aminopurine	ME1228825	1.63	3.01	1.12	3.45	0.67	0.03	0.02	0.03	0.03	0.03
Adenine	ME1228940	1.59	2.94	1.09	3.36	0.65	0.08	0.08	0.08	0.06	0.07
Benztropine	ME1228961	3.11	1.45	1.74	1.19	0.65	0.37	0.27	0.24	0.50	0.48
Ricinine	ME1229275	3.75	1.06	1.33	1.50	1.16	0.45	0.18	0.17	0.19	0.21
Lys-Ala	ME1229119	2.29	1.51	1.98	1.53	0.58	0.36	0.40	0.54	0.36	0.46
Glycyl-Lysine	ME1229058	2.33	1.93	2.19	1.75	0.64	0.20	0.37	0.19	0.19	0.21
Pro-Thr	ME1229268	2.20	1.95	2.17	1.88	1.03	0.10	0.19	0.20	0.19	0.09
Arg-Ala	ME1228953	3.31	1.48	1.89	1.82	1.28	0.02	0.07	0.08	0.05	0.02
Butyrylcarnitine (Car(4:0))	ME1228971	2.86	1.32	1.69	2.18	1.32	0.17	0.12	0.09	0.12	0.14
Isobutyrylcarnitine (Car(4:0))	ME1229082	2.86	1.32	1.69	2.18	1.32	0.17	0.12	0.09	0.12	0.14
Tetramethylthiourea	ME1229314	3.29	2.03	1.73	1.86	0.93	0.03	0.05	0.02	0.03	0.03
Luotonin F	ME1229118	2.65	2.08	1.42	1.62	0.57	0.02	0.43	0.57	0.20	0.05
beta-Guanidinopropionic acid	ME1228963	2.90	1.81	1.56	1.67	0.88	0.17	0.30	0.28	0.22	0.20
Creatine	ME1228986	2.90	1.81	1.56	1.67	0.88	0.17	0.30	0.28	0.22	0.20
N1,N8-Diacetylspermidine	ME1229150	3.74	1.13	0.83	3.48	0.65	0.02	0.04	0.06	0.02	0.02
PODOFILOX	ME1229259	2.96	0.08	1.17	2.28	1.61	0.61	0.56	0.52	0.50	0.40
Isonicotinic acid	ME1229085	2.59	0.88	0.90	3.45	0.97	0.27	0.18	0.20	0.22	0.33
Nicotinate	ME1229173	2.59	0.88	0.90	3.45	0.97	0.27	0.18	0.20	0.22	0.33
Arg-Pro	ME1228956	1.59	1.12	1.29	2.85	1.74	0.09	0.44	0.52	0.28	0.09
1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine	ME1228757	2.10	1.15	1.35	2.62	1.15	0.40	0.32	0.31	0.34	0.27
3,5,9-Trioxa-4-phosphatetracosan-1-aminium, 7-(acetyloxy)-24-carboxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)-	ME1228852	2.49	1.07	1.19	2.72	1.66	0.17	0.16	0.14	0.18	0.22
Serine-Cholic Acid	ME1229280	0.57	0.74	1.98	3.08	1.28	0.33	0.46	0.45	0.36	0.75
1-Methylguanosine	ME1228777	0.55	1.33	1.57	2.74	1.49	0.64	0.37	0.38	0.44	0.49
2-Methylguanosine	ME1228839	0.55	1.33	1.57	2.74	1.49	0.64	0.37	0.38	0.44	0.49
Phosphonic acid, P-[[4-[(1-oxotetradecyl)amino]phenyl]methyl]-	ME1229254	0.93	1.45	1.50	3.52	2.37	0.05	0.04	0.05	0.05	0.05
N-Demethylmifepristone	ME1229168	1.25	1.46	1.91	2.72	1.17	0.24	0.32	0.26	0.37	0.30
N2,N2-Dimethylguanosine	ME1229153	0.66	1.72	2.07	3.20	1.69	0.12	0.14	0.12	0.18	0.11
Pro-Pro	ME1229267	1.12	1.80	1.95	2.83	1.76	0.05	0.14	0.12	0.19	0.05
Glutathione disulfide	ME1229054	1.52	1.46	2.12	2.89	1.69	0.07	0.05	0.07	0.08	0.05
Glycine	ME1229057	1.38	1.36	1.80	3.05	2.03	0.08	0.07	0.06	0.08	0.09
Propionylcarnitine (Car(3:0))	ME1229266	1.90	1.11	2.19	1.34	2.63	0.17	0.14	0.10	0.24	0.18
Tetradecylamine	ME1229311	1.78	1.29	2.37	1.59	2.45	0.04	0.10	0.07	0.05	0.09
4-Hydroxybenzaldehyde	ME1228896	2.13	1.50	1.94	2.04	2.20	0.05	0.03	0.01	0.07	0.05
Adenosine	ME1228941	2.39	1.26	1.71	2.14	2.43	0.01	0.01	0.02	0.01	0.02
2,5-Dimethyl-3,4-diphenyl-2,4-cyclopentadien-1-one	ME1228815	1.08	1.32	2.30	1.42	2.08	0.67	0.32	0.24	0.20	0.37
1-Hexadecylamine	ME1228769	0.59	2.12	1.93	1.90	2.34	0.22	0.26	0.22	0.21	0.21
1-Octadecylamine	ME1228783	0.55	1.94	1.76	1.49	2.67	0.30	0.38	0.28	0.32	0.30
2-Chloro-4-(dimethylamino)-5-fluoropyrimidine	ME1228828	0.69	1.79	1.92	1.42	2.29	0.27	0.46	0.45	0.37	0.35
Hypoxanthine	ME1229075	1.22	1.52	1.64	2.05	2.01	0.02	0.34	0.89	0.24	0.07
Heptadecanoyl_carnitine	ME1229062	1.04	2.05	2.12	1.54	1.72	0.14	0.48	0.52	0.27	0.13
Palmitoylcarnitine (Car(16:0))	ME1229207	1.27	1.98	2.05	1.65	1.81	0.13	0.40	0.36	0.24	0.11
Nicotinamide	ME1229170	1.34	1.61	1.84	1.62	2.06	0.20	0.31	0.24	0.36	0.41
Sph(d18:2)	ME1229295	1.17	1.61	1.63	1.62	1.93	0.39	0.37	0.22	0.62	0.45
Arachidonoylcarnitine (Car(20:4))	ME1228950	1.08	1.91	1.92	1.82	2.01	0.19	0.32	0.36	0.23	0.14
IS5	ME1229080	1.04	1.58	1.73	1.82	1.91	0.41	0.39	0.46	0.31	0.34
S-Adenosylmethionine	ME1229277	1.00	1.75	1.77	1.75	2.16	0.41	0.36	0.32	0.25	0.23
PC(14:0/16:0)	ME1229209	2.03	1.15	1.76	2.31	1.70	0.25	0.20	0.16	0.22	0.22
Aspartate	ME1228957	1.85	1.15	1.96	2.09	1.99	0.19	0.20	0.19	0.25	0.14
Carnitine	ME1228981	1.62	1.39	1.72	2.03	1.98	0.28	0.24	0.21	0.27	0.27
Succinamide	ME1229299	1.89	1.62	1.90	2.33	1.54	0.13	0.14	0.14	0.20	0.13
Amobarbital	ME1228947	1.90	1.81	1.78	1.82	1.88	0.13	0.20	0.19	0.17	0.13
Inosine	ME1229078	1.87	1.80	2.06	2.00	1.78	0.01	0.08	0.29	0.08	0.03
Heptanoylcarnitine (Car(7:0))	ME1229065	2.07	1.43	2.01	1.37	1.72	0.30	0.31	0.28	0.27	0.24
2-(3-Bromophenyl)-1H-benzimidazole	ME1228801	1.94	1.71	1.68	1.63	1.64	0.38	0.17	0.20	0.30	0.35
2-(5-Oxovaleryl)phosphatidylcholine	ME1228808	1.77	1.65	1.66	1.56	1.48	0.28	0.50	0.17	0.33	0.39
7H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,7-diamine	ME1228926	1.38	1.88	1.61	1.84	1.66	0.33	0.22	0.42	0.42	0.26
Diuron-desdimethyl	ME1229013	1.71	1.61	1.60	1.68	1.63	0.26	0.45	0.47	0.33	0.25
1-Phenylpyrrolidine	ME1228794	1.52	1.69	1.54	1.75	1.83	0.34	0.27	0.33	0.36	0.37
Tetraethylammonium cation	ME1229312	1.72	1.72	1.69	1.80	1.73	0.25	0.27	0.28	0.28	0.25
Thiamine	ME1229315	1.23	1.26	1.68	2.57	2.09	0.26	0.21	0.17	0.22	0.30
6-Acetylcodeine	ME1228917	1.05	1.54	1.61	2.25	1.98	0.20	0.39	0.31	0.29	0.37
Proline	ME1229262	1.05	1.67	1.88	2.08	1.82	0.33	0.25	0.19	0.40	0.34
3-methylcytidine	ME1228870	0.84	1.67	1.82	2.46	2.12	0.22	0.20	0.23	0.24	0.20
Isopropalin	ME1229087	1.08	1.70	2.09	2.27	2.21	0.09	0.15	0.14	0.21	0.06
3-Dodecyloxypropylamine	ME1228862	1.06	1.73	1.91	2.02	2.64	0.10	0.15	0.14	0.16	0.09
Lauramine oxide	ME1229091	0.97	1.98	1.98	2.20	2.72	0.02	0.04	0.05	0.03	0.02
2-(Naphthalen-1-yl)-1H-1,3-benzodiazole	ME1228811	1.28	1.68	1.92	1.73	2.49	0.07	0.20	0.41	0.12	0.11
N-Acetyl-D-galactosaminitol	ME1229159	1.15	1.62	1.70	1.99	2.34	0.15	0.31	0.29	0.28	0.17
1-Stearoylglycerophosphoserine	ME1228796	1.36	1.47	2.27	2.53	2.17	0.04	0.03	0.03	0.05	0.06
Alanine	ME1228943	1.69	1.42	1.66	2.19	2.27	0.14	0.15	0.14	0.19	0.15
Sarcosine	ME1229278	1.78	1.49	1.75	2.31	2.39	0.04	0.06	0.09	0.05	0.04
(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)acetic acid	ME1228743	1.71	1.67	1.82	2.17	2.46	0.03	0.03	0.03	0.04	0.03
6-(Chloromethyl)-N2-(2-naphthyl)-1,3,5-triazine-2,4-diamine	ME1228913	1.67	1.53	1.75	2.13	2.39	0.00	0.01	0.01	0.01	0.00
2-oxindole-3-acetate	ME1228842	1.36	1.82	1.72	2.50	2.17	0.07	0.09	0.08	0.08	0.10
5-Hydroxyindole-3-acetic acid	ME1228908	1.36	1.82	1.72	2.50	2.17	0.07	0.09	0.08	0.08	0.10
Phosphorylcholine	ME1229255	1.54	1.61	2.06	2.33	2.46	0.00	0.00	0.00	0.00	0.00
Statine	ME1229298	1.31	1.67	2.14	2.15	2.47	0.05	0.05	0.05	0.05	0.05
4-Aminobutyric acid (GABA)	ME1228889	1.29	2.01	2.08	2.27	2.05	0.06	0.06	0.04	0.05	0.08
Crotonic acid	ME1228988	1.39	1.93	2.06	2.26	2.15	0.03	0.04	0.04	0.04	0.08
Phosphate	ME1229253	1.61	2.01	2.03	2.19	2.14	0.00	0.00	0.00	0.00	0.00
(2R)-3-Hydroxyisovaleroylcarnitine	ME1228737	1.67	1.75	1.99	2.20	2.26	0.03	0.03	0.02	0.03	0.02
Ethephon	ME1229028	1.63	1.85	2.12	2.04	2.19	0.05	0.03	0.02	0.03	0.04
1-Methylhistamine	ME1228778	1.09	2.02	3.13	2.51	0.61	0.17	0.14	0.11	0.09	0.11
gamma-Glutamylglutamic acid	ME1229045	1.07	1.72	3.28	2.83	0.92	0.03	0.05	0.04	0.04	0.02
CYCLOPENTANONE	ME1228993	0.71	2.25	2.18	2.80	0.80	0.28	0.20	0.24	0.24	0.29
4-(1,3-Dithiolan-2-yl)aniline	ME1228879	0.95	2.66	2.32	2.34	0.90	0.16	0.17	0.16	0.17	0.16
5-(2-methoxyethylamino)-3H-1,3,4-thiadiazole-2-thione	ME1228900	1.19	2.39	2.53	2.70	0.78	0.06	0.08	0.07	0.12	0.07
2-Piperazinecarboxamide	ME1228843	0.55	1.83	2.61	2.67	1.02	0.35	0.29	0.18	0.13	0.35
2-{[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-methyl-4(3H)-pyrimidinone	ME1228817	0.57	2.22	2.73	2.52	0.90	0.18	0.10	0.10	0.44	0.23
[4-Amino-2-(ethylamino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone	ME1228749	0.55	1.88	2.71	2.65	0.81	0.24	0.27	0.28	0.39	0.21
Cytidine	ME1228995	0.59	2.00	2.89	2.74	0.94	0.14	0.16	0.16	0.24	0.13
2-(4-Amino-1-piperidinyl)acetamide	ME1228804	0.46	2.21	2.68	3.26	1.13	0.04	0.08	0.05	0.05	0.04
Histidine	ME1229071	0.70	2.31	2.49	2.89	1.28	0.06	0.07	0.06	0.06	0.07
3-Methyl-.gamma.-butyrolactone	ME1228868	1.32	1.90	2.53	1.86	1.98	0.07	0.10	0.07	0.09	0.09
Isovalerylcarnitine (Car(5:0))	ME1229088	1.34	1.73	2.98	1.84	1.39	0.14	0.16	0.10	0.17	0.15
Valerylcarnitine	ME1229334	1.34	1.73	2.98	1.84	1.39	0.14	0.16	0.10	0.17	0.15
Normetanephrine	ME1229190	0.91	2.07	2.51	2.60	1.70	0.04	0.03	0.05	0.04	0.05
3-Methyl-1H-pyrazole-4-carbaldehyde	ME1228869	1.02	1.79	2.69	2.70	1.60	0.04	0.05	0.04	0.04	0.04
Glutamate	ME1229052	1.18	1.77	2.52	2.77	1.38	0.06	0.07	0.07	0.12	0.06
5-(2-Aminoethyl)-1H-imidazol-2-amine	ME1228899	0.64	1.81	2.94	2.90	1.41	0.05	0.06	0.07	0.06	0.06
Tyrosine	ME1229327	0.57	1.90	2.84	2.50	1.79	0.08	0.06	0.05	0.11	0.09
1-(Cyclohexylmethyl)proline	ME1228754	1.52	1.70	2.12	1.94	1.61	0.27	0.26	0.19	0.23	0.17
Docos-13-enoylcarnitine	ME1229016	1.49	1.84	2.46	2.12	1.24	0.20	0.16	0.12	0.17	0.20
2-(5-Chloro-1,3-benzothiazol-2-yl)ethanamine	ME1228807	1.04	2.10	1.94	1.93	1.60	0.25	0.34	0.34	0.24	0.23
Norleucine	ME1229189	0.88	1.89	1.96	2.14	1.54	0.29	0.42	0.33	0.27	0.29
Isoleucine	ME1229084	0.88	1.89	1.96	2.14	1.54	0.29	0.42	0.33	0.27	0.29
Leucine	ME1229095	0.88	1.89	1.96	2.14	1.54	0.29	0.42	0.33	0.27	0.29
Biopterin	ME1228967	1.08	1.84	2.20	2.41	1.32	0.22	0.26	0.24	0.23	0.19
Ethyl 2-amino-4-phenylthiophene-3-carboxylate	ME1229030	1.37	1.86	2.15	2.25	1.41	0.17	0.20	0.21	0.18	0.21
Heptanedioic acid, 1-(2-cyclopentylidenehydrazide)	ME1229064	1.15	1.99	2.23	2.16	1.80	0.09	0.17	0.16	0.16	0.09
Caplamin	ME1228974	1.02	1.88	2.25	2.36	1.75	0.19	0.09	0.12	0.16	0.19
Pyrrolidine	ME1229271	1.17	2.05	2.29	2.42	1.51	0.15	0.08	0.08	0.12	0.13
6-Hydrazino-3-pyridazinecarboxamide	ME1228922	1.01	2.01	2.30	2.42	1.54	0.14	0.15	0.14	0.15	0.14
MeAIB	ME1229131	1.03	1.99	2.20	2.36	1.51	0.19	0.15	0.25	0.17	0.16
Valine	ME1229337	1.03	1.99	2.20	2.36	1.51	0.19	0.15	0.25	0.17	0.16
1-O-Hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine	ME1228787	1.47	2.19	2.39	2.56	1.37	0.00	0.00	0.01	0.00	0.00
2-Amino-6-(methylsulfanyl)-3,5-pyridinedicarbonitrile	ME1228820	1.15	2.31	2.47	2.32	1.48	0.05	0.00	0.00	0.01	0.04
Car(18:0)	ME1228976	0.90	2.51	2.89	2.18	1.48	0.00	0.01	0.02	0.01	0.00
3-Hydroxystigmast-5-en-7-one	ME1228867	0.80	2.24	2.59	1.95	1.32	0.09	0.34	0.38	0.20	0.09
Arachidyl_carnitine	ME1228951	0.97	2.16	2.68	2.28	1.23	0.10	0.14	0.19	0.15	0.08
Glabrone	ME1229049	0.76	2.07	2.49	2.04	0.88	0.26	0.44	0.55	0.32	0.18
Methocarbamol	ME1229137	0.43	2.29	2.48	1.97	0.79	0.24	0.57	0.60	0.37	0.27
trans-Zeatin	ME1229319	0.52	2.51	2.51	1.95	0.98	0.19	0.42	0.41	0.27	0.25
Cytosine	ME1228996	0.68	1.62	2.42	2.23	1.03	0.40	0.46	0.50	0.34	0.32
5-Pyrimidinecarboxamide, 2-[(2,4-dichlorophenyl)amino]-N-[(tetrahydro-2H-pyran-4-yl)methyl]-4-(trifluoromethyl)-	ME1228912	0.89	1.98	2.29	2.34	0.86	0.32	0.38	0.42	0.30	0.22
Cysteine-glutathione disulfide	ME1228994	0.81	1.90	2.29	2.48	0.56	0.29	0.50	0.58	0.36	0.24
2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine	ME1228832	1.31	1.36	2.36	1.97	0.82	0.45	0.40	0.29	0.57	0.46
2-Hydroxymyristoylcarnitine	ME1228836	1.01	1.75	2.25	1.69	1.27	0.21	0.67	0.54	0.46	0.15
Cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanol	ME1228992	0.90	1.88	2.43	1.71	1.34	0.30	0.36	0.29	0.62	0.17
2-Chloro-6-fluoroquinoline-3-carbonitrile	ME1228829	1.18	1.95	2.01	2.07	1.04	0.34	0.40	0.49	0.33	0.18
PC(16:0/20:4)	ME1229216	1.20	1.80	2.06	1.86	1.19	0.22	0.32	0.34	0.67	0.34
Val-Gln	ME1229335	1.21	1.44	2.00	1.88	1.25	0.57	0.23	0.25	0.55	0.64
2-Methylbenzamide oxime	ME1228838	0.92	1.79	1.85	1.87	1.20	0.51	0.35	0.39	0.54	0.58
6,7-dimethoxy-2,2-dimethyl-2h-1-benzopyran	ME1228915	0.82	1.61	1.84	1.98	1.36	0.47	0.34	0.20	0.65	0.74
5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-amine	ME1228901	0.80	1.84	1.88	2.20	1.01	0.37	0.53	0.46	0.42	0.48
Pyridoxal (Vitamin B6)	ME1229270	0.87	1.58	1.83	2.52	1.12	0.61	0.27	0.28	0.43	0.50
Sph(d18:0)	ME1229294	0.61	2.65	1.78	1.49	2.21	0.20	0.26	0.25	0.34	0.19
Aminofructose_6-phosphate	ME1228946	0.67	2.79	1.55	1.64	1.44	0.26	0.52	0.52	0.44	0.19
N-Acetylmannosamine	ME1229162	0.74	2.79	1.55	1.63	1.65	0.09	0.46	0.39	0.43	0.27
Persicachrome	ME1229249	1.31	2.11	1.99	1.14	1.42	0.05	0.21	0.21	0.10	0.09
Eicosadienoylcarnitine	ME1229022	1.07	2.69	2.25	1.68	1.36	0.12	0.33	0.30	0.12	0.08
Eicoseneoylcarnitine (Car(20:1))	ME1229023	1.01	2.46	2.34	1.71	1.52	0.09	0.34	0.31	0.14	0.06
Acetildenafil	ME1228936	1.12	2.71	1.77	2.41	1.54	0.05	0.12	0.10	0.10	0.07
Umbelliferyl arachidonate	ME1229329	1.21	2.74	1.76	2.32	1.41	0.08	0.12	0.07	0.10	0.19
3-Chloro-4-fluoro-5-trifluoromethylaniline	ME1228860	1.45	2.27	1.77	1.88	0.81	0.30	0.35	0.34	0.50	0.32
Hemin cation	ME1229061	1.18	2.61	1.64	1.83	1.21	0.28	0.52	0.25	0.22	0.26
LysoPC(0:0/18:0)	ME1229123	1.74	2.15	1.93	2.41	0.94	0.30	0.08	0.09	0.26	0.10
3-Hydroxybutyrylcarnitine (Car(4:0-O))	ME1228865	1.44	2.65	2.11	1.84	0.89	0.09	0.39	0.28	0.25	0.06
Trichodermamide C	ME1229320	1.62	2.41	2.36	2.18	0.81	0.12	0.13	0.13	0.13	0.12
Triphenylphosphine oxide	ME1229324	0.43	2.93	1.78	2.21	0.58	0.36	0.28	0.16	0.70	0.58
Nadolol	ME1229165	0.19	2.57	2.62	1.55	0.24	0.18	0.77	0.86	0.76	0.23
Kynurenine	ME1229090	0.13	2.53	3.08	2.06	0.92	0.18	0.28	0.29	0.24	0.31
8-Methylquinolin-2(1H)-one	ME1228933	0.46	2.56	2.70	1.48	0.97	0.62	0.20	0.07	0.50	0.44
Serotonin	ME1229281	0.49	2.06	2.19	1.46	0.91	0.96	0.31	0.14	0.77	0.70
Benzyldimethyltetradecylammonium cation	ME1228962	0.30	2.53	4.15	0.68	0.11	0.05	0.16	0.99	0.30	0.09
3-Aminobutanoic acid	ME1228858	0.83	1.54	3.95	2.38	0.44	0.21	0.15	0.17	0.21	0.13
2-Aminopyridine	ME1228826	0.68	2.02	3.68	1.81	0.40	0.25	0.30	0.26	0.29	0.30
Histamine	ME1229070	0.70	2.12	3.79	1.94	0.36	0.19	0.22	0.20	0.22	0.24
(3-Methylbutyl)(6-methylheptan-2-yl)amine	ME1228741	0.92	2.51	3.98	1.04	1.00	0.08	0.21	0.15	0.07	0.05
N-Acetylputrescine	ME1229163	0.98	2.44	3.32	1.36	0.79	0.16	0.26	0.35	0.20	0.14
1-Docosahexaenoyl-2-stearoyl-sn-glycero-3-phosphocholine	ME1228767	0.14	0.19	0.31	0.17	0.20	0.28	1.99	3.60	2.86	0.26
PC(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	ME1229230	0.09	0.17	0.17	0.25	0.06	0.95	0.71	4.14	2.91	0.56
Oxotridecenoylcarnitine (Car(13:2-O))	ME1229203	0.32	1.79	0.73	0.42	0.73	1.32	1.71	1.50	0.79	0.69
N1-Methyl-2-pyridone-5-carboxamide	ME1229151	0.20	1.65	0.44	0.26	0.38	1.15	3.27	1.24	0.81	0.60
N1-Methyl-4-pyridone-3-carboxamide	ME1229152	0.20	1.65	0.44	0.26	0.38	1.15	3.27	1.24	0.81	0.60
2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid	ME1228809	0.46	1.18	1.21	1.23	0.68	0.76	2.26	0.68	1.07	0.46
2-Aminonicotinic acid	ME1228824	1.15	0.87	0.54	0.79	1.38	0.61	2.05	0.98	0.59	1.03
Donhexocin	ME1229018	0.78	0.39	0.63	1.25	0.84	0.97	2.43	1.02	0.74	0.96
Formiminoglutamic acid	ME1229039	1.14	0.68	1.00	0.89	0.88	1.03	2.26	1.21	0.57	0.34
Val-Gly	ME1229336	0.85	0.65	0.23	0.76	0.40	0.07	2.91	1.48	1.62	1.02
3-Hydroxyoleylcarnitine	ME1228866	0.57	0.19	0.39	1.04	0.63	0.50	2.84	2.89	0.89	0.06
Hexadecenedioylcarnitine (Car(16:1-O2))	ME1229066	0.69	0.71	1.16	0.32	0.74	0.80	2.25	1.75	0.68	0.93
7-Keto-8-aminopelargonic acid	ME1228929	0.42	0.71	0.76	0.75	0.36	0.70	2.61	2.18	1.05	0.45
MLS002638110-01!PREDNISOLONE50-24-8	ME1229144	0.66	1.11	0.76	1.03	0.34	0.37	2.72	2.01	0.80	0.21
SM(d34:1)	ME1229291	0.01	0.00	0.01	0.00	0.00	0.85	2.44	3.86	1.74	1.08
L-Homoserine lactone	ME1229097	0.23	0.21	0.22	0.23	0.29	1.53	2.27	1.93	1.93	1.19
N-Arachidonoyl-L-serine	ME1229167	0.23	0.19	0.17	0.20	0.27	1.43	2.19	2.51	1.70	1.11
SM(d18:1/17:0)	ME1229287	0.16	0.27	0.33	0.29	0.25	1.20	2.22	2.19	1.75	1.33
Heptadecasphinganine	ME1229063	0.15	0.28	0.36	0.32	0.35	0.97	2.80	1.82	1.70	1.25
Methylimidazoleacetic acid	ME1229139	0.15	0.16	0.10	0.17	0.17	1.45	2.95	2.06	1.46	1.32
PC(18:3(6Z,9Z,12Z)/18:0)	ME1229227	0.03	0.15	0.08	0.12	0.03	0.85	3.15	3.27	1.40	0.92
GlcCer(d18:1/16:0)	ME1229050	0.13	0.20	0.24	0.14	0.12	1.29	2.25	2.89	1.47	1.28
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine	ME1228790	0.01	0.00	0.01	0.01	0.00	1.21	3.02	2.91	1.75	1.09
Palmitoyl sphingomyelin	ME1229206	0.00	0.00	0.00	0.01	0.01	1.11	2.82	2.94	1.97	1.14
N4-Acetylcytidine	ME1229154	0.05	0.14	0.18	0.17	0.09	1.24	2.52	3.00	1.82	0.79
Dimethylglycine	ME1229012	0.04	0.13	0.07	0.06	0.05	1.32	2.38	2.78	2.02	1.15
gamma-Glutamylglutamine	ME1229046	0.07	0.04	0.05	0.06	0.05	1.42	2.45	2.65	1.96	1.25
Gln-Gln	ME1229051	0.80	0.30	0.40	0.47	0.42	0.65	3.91	1.70	0.75	0.59
Furcelleran	ME1229041	0.17	0.49	0.37	0.34	0.17	0.21	4.78	2.60	1.29	0.64
.delta.-Tocotrienol	ME1228745	0.06	0.12	0.09	0.10	0.10	0.87	3.67	2.47	1.46	0.61
N-Acetylhistidine	ME1229161	0.05	0.09	0.07	0.06	0.04	0.98	3.93	2.46	1.39	0.92
3-Aminoquinoline	ME1228859	0.59	0.58	0.17	2.17	0.25	1.57	0.88	0.92	0.93	2.14
Didemethylmifepristone	ME1229006	0.71	0.47	0.59	0.60	0.69	1.89	0.88	1.29	2.58	0.36
LysoPC(22:5(7Z,10Z,13Z,16Z,19Z))	ME1229126	0.38	0.26	0.27	0.32	0.54	2.49	0.60	0.67	3.70	0.77
Norharmane	ME1229188	0.83	0.05	0.11	0.82	0.43	1.47	1.08	0.47	2.50	2.25
Trimethylamine N-oxide	ME1229323	0.67	0.14	0.17	0.65	1.12	1.23	1.36	0.51	2.13	2.01
6-endo-Hydroxycineole	ME1228921	0.16	0.17	0.29	0.25	0.31	1.80	1.95	0.66	3.16	1.25
Tanshinone I	ME1229301	0.54	0.03	0.20	0.20	0.53	1.23	0.79	0.78	3.45	1.91
(4E,10E)-13,21-Dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-9-yl carbamate	ME1228742	0.05	0.11	0.18	0.21	0.15	1.98	1.03	1.00	3.24	2.04
LPI(18:2)	ME1229115	0.10	0.33	0.30	0.28	0.10	1.85	0.75	0.88	3.16	2.23
2-(2^,3^,4^-Trihydroxybutyl)quinoxaline	ME1228797	0.09	0.27	0.18	0.33	0.07	3.45	0.97	0.37	1.96	2.32
Piperazine-2-carboxylic acid	ME1229258	0.30	0.55	0.19	0.30	0.22	2.29	1.08	0.40	1.80	2.87
6-Benzylaminouracil	ME1228920	0.14	0.25	0.19	0.26	0.21	2.47	1.07	0.78	1.19	3.44
Sorbose	ME1229293	0.05	0.09	0.13	0.15	0.09	2.94	0.95	0.92	1.65	3.04
Fructose	ME1229040	0.03	0.07	0.04	0.04	0.05	3.02	0.98	0.95	1.69	3.12
Galactose	ME1229043	0.03	0.07	0.04	0.04	0.05	3.02	0.98	0.95	1.69	3.12
Methanone, [1-(5-fluoropentyl)-6-nitro-1H-indol-3-yl]-1-naphthalenyl-	ME1229134	0.43	0.42	0.62	0.56	1.12	1.78	0.80	0.72	0.82	2.72
4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine	ME1228892	0.24	0.40	0.26	0.36	0.48	1.35	1.12	0.87	1.81	3.13
Anserine	ME1228948	0.15	0.32	0.35	0.34	0.60	0.89	1.14	1.26	1.58	3.37
Taurochenodeoxycholic acid	ME1229304	0.11	0.95	0.35	0.11	0.17	1.69	2.30	1.06	0.81	2.16
Urocanic acid	ME1229332	0.04	0.11	0.05	0.05	0.03	1.79	2.99	1.05	1.12	2.77
2-Pyrimidinylacetic acid	ME1228844	0.04	0.11	0.05	0.05	0.03	1.79	2.99	1.05	1.12	2.77
6-Aminonicotinic acid	ME1228918	0.04	0.11	0.05	0.05	0.03	1.79	2.99	1.05	1.12	2.77
PC(18:1(6Z)/18:1(6Z))	ME1229222	0.04	0.02	0.03	0.02	0.01	2.06	1.44	1.74	2.99	1.65
PC(18:1(9Z)/18:1(9Z))	ME1229223	0.02	0.03	0.03	0.04	0.03	2.05	1.44	1.73	2.97	1.64
6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone	ME1228919	0.01	0.02	0.03	0.03	0.01	2.49	2.22	1.78	2.09	1.33
LPC(19:0)	ME1229107	0.03	0.02	0.03	0.02	0.21	1.79	1.90	1.66	2.21	1.96
Acetylcarnitine (Car(2:0))	ME1228939	0.05	0.07	0.07	0.07	0.06	1.91	2.03	1.93	1.94	1.88
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine	ME1228791	0.00	0.00	0.00	0.00	0.00	1.70	1.93	2.10	2.07	2.03
PC(18:0/18:1(9Z))	ME1229220	0.00	0.01	0.02	0.01	0.00	1.69	2.05	2.11	2.19	1.93
PC(42:10)	ME1229239	0.10	0.05	0.10	0.09	0.07	2.17	1.80	1.90	1.81	1.61
Palmitoyleicosapentaenoyl phosphatidylcholine	ME1229208	0.14	0.10	0.20	0.27	0.15	1.85	1.72	1.61	1.89	2.08
1-O-Hexadecyl-2-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholine	ME1228786	0.05	0.06	0.12	0.06	0.03	2.32	1.44	1.69	2.12	2.12
PE(18:0/18:2)	ME1229244	0.13	0.07	0.30	0.11	0.03	2.20	1.66	1.50	2.10	1.90
TOPIRAMATE	ME1229317	0.08	0.11	0.10	0.12	0.17	2.10	1.68	1.72	2.10	1.83
Trigonelline	ME1229322	0.17	0.17	0.17	0.21	0.33	1.73	1.48	1.11	2.04	2.58
Zolpidem phenyl-4-carboxylic acid	ME1229340	0.11	0.10	0.23	0.09	0.06	1.75	1.43	1.20	1.59	2.43
1-(1Z-Octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine	ME1228751	0.07	0.07	0.10	0.06	0.02	2.30	1.32	1.47	1.89	2.70
SM(d17:1/24:1(15Z))	ME1229284	0.12	0.14	0.19	0.13	0.18	2.28	1.40	1.17	1.70	2.70
LPI(20:4)	ME1229116	0.14	0.26	0.27	0.27	0.17	1.98	1.18	1.40	2.03	2.31
1H-Indazole-4-carboxamide, N-[(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-	ME1228770	0.14	0.17	0.17	0.22	0.09	2.13	1.47	1.27	2.05	2.28
LPC(18:2/0:0)	ME1229106	0.08	0.09	0.10	0.11	0.05	2.14	1.56	1.26	2.13	2.47
2-(2,6-Dimethylmorpholin-4-yl)ethanol	ME1228798	0.02	0.05	0.05	0.04	0.04	1.92	1.62	1.42	1.66	3.17
6.beta.-Naltrexol	ME1228916	0.07	0.04	0.04	0.06	0.07	1.71	1.69	1.93	1.83	2.57
Carnosine	ME1228982	0.28	0.15	0.20	0.17	0.15	1.37	1.78	1.52	1.58	2.79
Phenylethylmalonamide	ME1229251	0.14	0.43	0.63	0.56	0.19	2.55	1.13	0.73	1.64	2.01
2,2^-(2-Hydroxyethylazanediyl)diacetic acid	ME1228813	0.50	0.36	0.41	0.43	0.37	1.90	1.21	1.02	1.54	2.26
4-(2-Methyl-1H-imidazol-1-yl)aniline	ME1228880	0.31	0.35	0.37	0.44	0.26	1.89	1.34	1.36	1.18	2.51
Hygric acid	ME1229073	0.45	0.56	0.41	0.37	0.27	1.98	1.27	1.19	1.22	2.27
1-(2,4-Dinitroanilino)-1H-pyrrole-2,5-dione	ME1228752	0.16	0.32	0.24	0.44	0.22	2.24	1.33	1.22	1.72	2.11
PC(15:0/22:4(7Z,10Z,13Z,16Z))	ME1229211	0.41	0.36	0.39	0.41	0.46	2.06	1.27	1.37	1.44	1.83
Stachydrine	ME1229297	0.60	0.20	0.24	0.62	0.66	2.26	0.84	0.78	1.27	2.54
taspine	ME1229302	0.43	0.26	0.27	0.32	0.93	2.00	1.14	0.90	1.52	2.24
PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	ME1229228	0.08	0.20	0.31	0.59	1.89	1.56	1.37	1.39	1.29	1.31
Nonaethylene glycol	ME1229185	0.37	0.12	0.28	0.28	0.58	1.16	1.65	1.62	1.28	2.54
Piericidin C1	ME1229256	0.34	0.26	0.33	0.35	0.86	1.17	1.49	1.65	1.32	2.24
Flurandrenolide	ME1229036	0.39	0.26	0.41	0.37	1.18	1.10	1.30	1.45	1.14	2.20
Telmisartan	ME1229307	0.68	0.32	0.45	0.51	1.39	0.97	1.19	1.42	1.14	1.94
8-Isobutanoylneosolaniol	ME1228932	0.51	0.32	0.48	0.47	1.21	0.98	1.45	1.52	1.24	1.83
Beclomethasone	ME1228958	0.53	0.37	0.46	0.55	1.32	0.95	1.32	1.55	1.10	1.86
3-Demethylubiquinone-9	ME1228861	0.41	0.65	0.78	0.64	0.84	0.65	1.77	2.27	1.24	0.75
Calcipotriol	ME1228973	0.36	1.03	0.42	0.32	0.93	0.94	1.87	2.24	1.15	0.66
Isodesmosine	ME1229083	0.38	0.33	0.32	0.41	0.39	1.11	2.15	2.95	1.21	0.77
3-Ureidopropionic acid	ME1228878	0.36	0.48	0.57	0.72	0.41	0.97	1.72	2.61	1.25	0.91
Creatinine	ME1228987	0.27	0.48	0.42	0.39	0.43	1.06	2.14	2.37	1.39	1.05
N-Oleoyl-D-erythro-sphingosylphosphorylcholine	ME1229183	0.20	0.44	0.57	0.42	0.44	0.77	2.25	2.50	1.51	0.90
N-Methylnicotinamide	ME1229179	0.51	0.91	0.54	0.34	0.26	1.22	1.79	1.98	1.04	1.41
2-Methylnicotinamide	ME1228840	0.51	0.91	0.54	0.34	0.26	1.22	1.79	1.98	1.04	1.41
6-Methylnicotinamide	ME1228924	0.51	0.91	0.54	0.34	0.26	1.22	1.79	1.98	1.04	1.41
3,4-Thiophenedicarbonitrile	ME1228851	0.23	0.46	0.75	0.43	0.73	1.17	1.93	1.36	1.56	1.21
12^-Apo-b-carotene-3,12^-diol	ME1228763	0.28	0.72	0.30	0.24	0.30	1.62	2.24	1.73	1.51	1.07
26,27-Dinorcholest-5-en-24-yne-3,20-diol, (3.beta.)-	ME1228818	0.36	0.88	0.53	0.35	0.69	1.13	2.21	1.72	1.38	0.75
Tetradecenoylcarnitine (Car(14:1))	ME1229310	0.37	0.87	0.52	0.36	0.68	1.14	2.19	1.72	1.42	0.74
PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ME1229217	0.27	0.43	0.48	0.58	0.29	2.15	1.50	1.49	1.47	1.33
PC(34:3)	ME1229235	0.26	0.33	0.72	0.40	0.08	2.15	1.46	1.75	1.48	1.37
1,7-Dioxa-4,10-diazacyclododecane	ME1228762	0.23	0.52	0.60	0.71	0.21	1.74	2.16	1.84	1.03	0.96
Ornithine	ME1229194	0.24	0.40	0.44	0.41	0.38	2.25	1.86	2.00	1.14	0.88
Allopurinol	ME1228945	0.45	0.32	0.28	0.19	0.64	1.13	1.30	2.12	2.22	1.35
Eplerenone	ME1229026	0.28	0.27	0.49	0.85	0.49	1.16	1.56	2.22	1.23	1.46
Lysionotin	ME1229121	0.35	0.19	0.12	0.26	0.34	1.68	1.75	1.93	1.36	2.02
1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine	ME1228775	0.15	0.15	0.20	0.42	0.17	1.46	1.78	2.06	1.79	1.81
Carbamic acid, [(3,4-dichlorophenyl)methyl]-, (1S)-2,3-dihydro-1H-inden-1-yl ester	ME1228979	0.22	0.25	0.23	0.23	0.23	1.74	1.73	1.99	1.70	1.68
Mesotrione	ME1229133	0.22	0.26	0.24	0.24	0.25	1.61	1.74	1.99	1.76	1.69
Mangiferdesmethylursanone	ME1229129	0.28	0.32	0.44	0.38	0.35	1.24	1.74	2.29	1.69	1.26
PC(16:0/18:1(9Z))	ME1229215	0.08	0.35	0.54	0.44	0.38	1.66	1.73	1.87	1.72	1.24
LPC(16:0)	ME1229103	0.30	0.39	0.45	0.50	0.31	1.28	1.64	1.98	1.72	1.45
LPC(17:0/0:0)	ME1229104	0.37	0.40	0.44	0.54	0.37	1.39	1.43	1.89	1.66	1.51
LPC(18:1)	ME1229105	0.30	0.46	0.43	0.59	0.45	1.45	1.32	1.89	1.81	1.29
PC(15:0/20:1(11Z))	ME1229210	0.28	0.33	0.39	0.56	0.36	1.67	1.30	1.75	1.87	1.49
PC(15:0/P-18:1(11Z))	ME1229212	0.49	0.47	0.60	0.53	0.84	1.52	0.91	1.06	1.92	1.66
Drostanolone propionate	ME1229019	0.22	0.40	0.37	0.41	0.27	1.92	1.19	1.37	2.08	1.78
PC(42:5)	ME1229240	0.43	0.30	0.31	0.45	0.50	1.51	1.06	1.62	1.93	1.88
Dimethylethanolamine	ME1229011	0.42	0.68	0.52	0.63	0.60	1.46	1.57	1.03	1.08	2.02
Falimint	ME1229034	0.37	0.65	0.68	0.62	0.41	1.24	1.55	1.05	1.48	1.95
Ferulic acid 4-O-glucuronide	ME1229035	0.55	0.44	0.35	0.33	0.48	1.61	1.33	1.73	1.22	1.98
Decamethylcyclopentasiloxane	ME1229000	0.69	0.64	0.43	0.40	0.55	1.50	1.26	1.49	1.24	1.81
Deschloronornidulin	ME1229003	0.65	0.63	0.59	0.58	0.62	1.58	1.23	1.24	1.23	1.64
1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholine	ME1228789	0.69	0.31	0.32	1.03	0.36	1.70	1.40	1.32	1.62	1.26
Nobiletin	ME1229182	0.20	0.53	0.88	0.66	0.52	1.68	1.33	1.30	1.57	1.32
(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol	ME1228740	0.29	0.88	0.85	0.62	0.35	1.63	1.24	1.32	1.59	1.24
gamma-Glutamyllysine	ME1229047	0.39	0.93	0.71	0.54	0.19	1.66	1.47	1.39	1.39	1.32
Lys-Val	ME1229128	0.74	0.47	0.55	0.46	0.31	1.33	1.65	1.26	1.87	1.35
Nicotinamide N-oxide	ME1229171	0.37	0.55	0.37	0.48	0.52	1.39	1.76	1.24	1.86	1.47
Ricinoleic acid methyl ester	ME1229276	0.24	0.48	0.44	0.56	0.45	1.48	1.45	1.20	1.86	1.57
1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine	ME1228766	0.44	0.34	0.38	0.89	0.48	1.24	1.35	1.67	1.63	1.55
LysoPC(18:3(6Z,9Z,12Z))	ME1229124	0.41	0.54	0.53	0.65	0.31	1.41	1.66	1.55	1.34	1.59
1,4-Dibutyl benzene-1,4-dicarboxylate	ME1228761	0.49	0.51	0.57	0.63	0.54	1.36	1.39	1.50	1.56	1.44
Maslinic_acid_3-O-b-D-glucoside	ME1229130	0.55	0.49	0.57	0.43	0.53	1.52	1.50	1.50	1.44	1.48

Factors:

F1	Sample source:colonic tissue \| Treatment:AOM/DSS
F2	Sample source:colonic tissue \| Treatment:AOM/DSS+FOLFOX
F3	Sample source:colonic tissue \| Treatment:AOM/DSS+FOLFOX+Probiotics
F4	Sample source:colonic tissue \| Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide
F5	Sample source:colonic tissue \| Treatment:Control
F6	Sample source:serum \| Treatment:AOM/DSS
F7	Sample source:serum \| Treatment:AOM/DSS+FOLFOX
F8	Sample source:serum \| Treatment:AOM/DSS+FOLFOX+Probiotics
F9	Sample source:serum \| Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide
F10	Sample source:serum \| Treatment:Control

Data matrix