Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Explore Metabolites and Pathways Associated Increased Airway Hyperresponsiveness in Asthma (Study ST000954)

Reversed phase NEGATIVE ION MODE (Analysis AN001565)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20
Cholic Acid_R3	ME236556	0.28	0.15	0.79	0.13	1.14	NA	0.53	0.16	0.24	0.79	0.21	0.12	6.60	1.80	0.41	1.94	0.18	0.18	0.46	5.17
Cholic Acid_R1	ME236554	0.31	0.26	0.88	0.18	1.25	0.08	0.57	0.13	0.28	0.92	0.20	0.13	9.18	1.63	0.36	1.69	0.24	0.24	0.37	4.57
Cholic Acid_R2	ME236555	0.30	0.24	0.91	0.20	1.24	0.08	0.55	0.12	0.28	0.94	0.22	0.16	9.21	1.63	0.30	1.70	0.27	0.25	0.39	4.49
Mannitol;HEXOSE ALCOHOL	ME236620	0.26	0.35	0.33	1.06	0.14	0.74	0.31	0.88	1.35	0.43	7.78	0.26	0.25	0.76	0.36	0.76	0.72	0.25	1.89	0.70
Vanilloylglycine_R1	ME236667	1.57	6.11	2.55	0.17	0.11	1.43	0.17	0.28	0.27	4.61	0.42	0.17	0.80	0.15	0.80	0.29	1.22	0.19	0.15	0.12
2^,4^-DIHYDROXYACETOPHENONE	ME236509	0.17	0.49	0.40	0.02	4.10	0.27	0.01	8.52	0.49	0.81	0.67	1.13	0.04	1.26	0.10	0.06	0.15	0.09	0.66	2.76
Glycoursodeoxycholic acid (G-UDCA)	ME236584	1.79	0.37	0.42	2.00	0.30	0.31	1.77	6.07	1.37	0.62	2.32	0.07	0.30	1.02	0.31	0.52	0.50	1.11	0.52	0.85
Tauroursodeoxycholic acid (T-UDCA)	ME236657	1.41	0.34	0.31	1.96	0.27	0.18	0.53	6.38	1.10	0.47	2.59	0.20	0.40	0.82	0.33	0.82	0.37	0.46	0.82	1.72
2-Hydroxyhippuric acid_R1	ME236513	0.70	0.69	0.63	3.38	0.44	0.59	0.44	2.75	1.14	0.86	1.17	2.76	0.88	0.53	1.05	0.90	0.87	5.63	0.60	0.51
2-Hydroxyhippuric acid_R2	ME236514	0.84	4.07	0.59	0.84	0.22	2.19	0.43	2.88	0.95	0.96	2.29	1.88	0.40	0.38	0.42	0.35	0.41	5.90	0.53	0.34
Vanilloylglycine_R2	ME236668	1.57	0.57	0.56	0.53	0.94	0.55	1.25	1.08	0.76	0.71	0.70	0.68	0.74	0.57	6.31	0.67	0.41	0.54	0.56	0.71
Pantothenic Acid	ME236640	0.86	1.88	0.93	0.71	0.89	0.56	0.96	1.68	1.29	1.26	1.13	4.11	0.53	0.80	0.64	0.53	1.77	0.74	0.68	0.51
Docosahexaenoic Acid (22:6);Docosahexanoic Acid	ME236564	0.78	0.63	1.01	0.40	1.83	0.35	0.92	0.45	1.15	0.47	0.44	6.16	0.21	1.03	0.79	0.48	0.84	0.17	1.51	0.58
Eicosapentaenoic Acid	ME236568	1.36	0.98	1.02	0.63	0.88	0.32	1.49	0.69	1.43	0.42	0.92	7.25	0.21	0.84	0.69	0.46	0.53	0.28	1.12	0.52
CHOLATE_R1	ME236552	0.91	3.10	0.39	0.90	0.87	0.25	0.96	0.38	0.61	1.14	0.61	0.54	3.88	0.79	0.61	0.70	1.45	0.71	0.52	3.72
CHOLATE_R2	ME236553	0.74	2.06	0.26	0.98	0.95	0.38	1.03	0.41	0.61	1.21	0.45	0.59	4.56	0.47	0.55	0.88	1.58	0.78	0.59	4.07
Monoethyl phthalate (mEP)	ME236622	0.45	0.34	0.26	0.12	0.15	2.36	0.80	3.82	0.52	2.27	0.76	0.37	0.19	0.55	0.70	1.05	0.83	0.64	0.50	3.95
Billirubin	ME236545	2.19	0.86	1.06	1.37	0.62	0.30	4.50	0.39	1.22	0.92	1.79	2.69	1.25	0.64	1.37	0.39	0.69	0.43	0.65	0.78
Ursodeoxycholic Acid (UDCA)_R1	ME236665	1.76	2.20	1.57	1.17	0.13	0.78	5.27	0.57	1.27	0.64	1.06	0.19	0.58	0.66	0.48	1.37	0.58	0.20	0.43	1.40
Ursodeoxycholic Acid (UDCA)_R2	ME236666	1.89	2.22	1.35	1.39	0.24	0.28	5.63	0.71	1.26	0.73	1.35	0.36	0.73	0.77	0.30	1.31	0.42	0.22	0.35	1.66
3-(2-HYDROXYPHENYL)PROPANOATE	ME236515	0.64	4.69	0.68	0.99	0.43	1.79	0.40	1.69	0.98	0.74	1.47	0.90	0.94	1.09	0.80	0.74	1.03	0.53	0.57	0.52
PYRIDOXAL	ME236643	0.48	6.18	0.94	0.50	1.09	0.92	0.76	0.95	0.66	0.95	0.94	1.21	0.64	0.84	0.74	0.81	1.14	1.04	0.79	0.46
Glycocholic Acid (GCA)_R2	ME236581	2.07	0.95	0.54	0.10	1.21	0.06	0.07	3.26	1.01	2.55	0.08	0.08	0.10	2.42	0.40	0.20	0.76	0.19	0.60	0.12
Ferulic acid sulfate	ME236571	2.55	1.36	0.73	0.58	0.33	1.10	3.02	0.99	1.11	1.99	0.57	0.09	0.42	0.60	0.49	1.68	0.61	0.56	0.93	0.36
Chenodeoxycholic Acid (CDCA);Deoxycholic Acid (DCA)_R1	ME236550	1.02	0.80	1.01	1.30	1.17	0.68	1.65	0.34	1.44	0.50	1.36	1.30	3.38	0.99	0.31	0.61	0.84	0.39	0.61	2.41
Chenodeoxycholic Acid (CDCA);Deoxycholic Acid (DCA)_R2	ME236551	0.78	0.68	1.35	0.96	0.89	0.51	1.73	0.26	1.10	0.41	1.06	0.96	2.63	1.12	0.53	2.32	0.62	0.27	0.50	2.23
ERYTHRITOL	ME236569	0.57	0.65	0.68	0.83	0.34	0.47	0.55	0.66	3.84	0.79	0.73	1.24	0.38	0.56	0.46	0.59	0.57	0.50	0.48	0.59
LysoPE (16:0)_R2	ME236613	0.52	0.44	0.68	0.36	0.31	0.39	0.40	0.59	2.39	0.47	0.84	0.94	0.30	2.64	0.66	0.43	0.41	0.28	0.64	0.38
LysoPE (18:1)_R2	ME236616	0.72	0.34	1.40	0.35	0.25	0.87	0.76	1.86	1.33	0.84	2.97	0.46	0.19	1.73	0.59	0.13	0.33	0.31	1.13	0.44
N-ACETYL-DL-GLUTAMIC ACID	ME236623	0.91	0.85	0.89	0.68	0.70	0.71	1.15	2.37	1.20	0.82	3.97	0.79	0.58	0.84	0.66	0.84	0.93	1.60	0.88	0.70
GLYCOCHOLATE_R1	ME236578	0.23	0.44	0.37	0.96	0.90	0.25	0.71	1.78	1.01	0.41	0.72	0.67	2.52	1.34	1.17	0.48	1.43	2.19	0.94	2.27
GLYCOCHOLATE_R2	ME236579	0.35	0.75	0.51	1.60	0.96	0.22	0.82	2.69	1.35	0.57	1.19	1.12	1.13	0.79	0.80	0.77	0.85	1.81	1.14	1.25
N-METHYL-L-GLUTAMATE;ALPHA-AMINOADIPATE;L-2-Aminoadipic Acid_R2	ME236639	0.33	1.05	1.55	1.38	1.57	1.31	1.61	0.84	0.83	1.38	1.37	1.79	1.25	0.89	0.90	1.16	0.21	2.77	0.59	0.96
3-Hydroxydecanoic acid	ME236517	0.62	0.78	0.76	0.61	0.97	1.15	0.70	1.15	0.84	0.52	0.72	1.28	0.38	1.36	0.80	0.93	2.72	0.44	0.86	1.80
Catechol Sulfate	ME236549	1.22	2.55	1.03	0.72	0.44	1.53	1.39	2.24	1.07	1.62	1.68	1.09	0.35	0.62	0.38	0.60	0.49	1.20	0.67	0.98
ALDOPENTOSE	ME236535	1.10	1.63	0.89	0.91	0.40	0.85	1.37	1.44	1.22	1.49	1.76	0.83	0.63	0.82	0.78	1.04	1.27	0.88	0.68	0.85
2-deoxy-D-galactose (fructose/glucose)_R1	ME236510	0.91	2.32	0.89	0.53	0.31	0.62	1.67	2.06	0.88	1.60	1.43	0.44	1.26	1.00	0.77	1.29	0.84	0.44	0.70	0.82
2-deoxy-D-galactose (fructose/glucose)_R2	ME236511	1.18	2.51	0.88	0.72	0.43	0.82	2.16	2.05	0.83	1.53	1.65	0.60	0.86	0.91	0.59	1.00	0.93	0.40	0.76	0.73
PYRIDOXAMINE	ME236644	1.01	0.45	1.18	1.17	0.57	0.28	0.34	1.36	1.00	0.31	1.87	2.02	0.20	1.00	0.87	1.05	0.86	0.19	1.16	1.94
DECANOATE	ME236562	0.66	0.67	1.14	0.48	1.03	1.68	0.51	1.42	0.97	0.87	0.43	2.35	0.27	1.48	0.96	1.30	0.51	0.43	0.79	0.94
a-LINOLENIC ACID	ME236536	0.74	0.50	1.10	0.27	0.75	0.43	0.59	1.21	0.70	0.32	1.20	2.68	0.07	1.33	0.89	0.62	0.54	0.33	2.00	0.38
Linoleic Acid (18:2)	ME236601	0.89	0.48	1.11	0.33	0.72	0.49	0.73	0.85	0.82	0.36	0.92	2.18	0.09	1.57	0.91	0.33	0.64	0.20	1.94	0.44
Arachidonic Acid (20:4)	ME236540	1.21	0.67	1.16	0.77	0.90	0.52	0.90	0.57	1.15	0.48	0.59	1.95	0.32	1.34	0.91	0.43	0.72	0.44	1.51	0.67
LysoPE (22:6)	ME236618	0.91	0.62	1.04	0.65	1.15	0.55	0.52	0.98	1.16	0.66	0.89	2.54	0.38	1.19	0.70	0.42	0.98	0.69	1.45	0.75
Glycocholic Acid (GCA)_R1	ME236580	1.13	0.54	0.51	0.81	0.68	0.18	0.53	1.99	1.28	1.43	0.83	0.11	0.96	1.38	1.23	0.77	0.71	0.90	0.97	0.96
Taurocholic acid (TCA)	ME236655	0.98	0.42	0.29	0.89	0.40	0.12	0.24	1.92	1.31	1.65	1.00	0.08	0.82	0.92	0.97	1.53	0.40	0.31	1.21	1.47
Glycodeoxycholic acid (GDCA);Chenodeoxycholyglycine (GCDCA)	ME236582	0.81	0.33	0.76	1.49	0.41	0.43	0.76	1.72	1.28	0.51	1.38	0.18	0.85	1.74	1.26	0.86	1.15	0.65	0.89	0.70
Taurodeoxycholic Acid (T-DCA)	ME236656	0.65	0.52	0.47	1.65	0.32	0.23	0.24	1.60	1.23	0.41	1.31	0.13	0.96	1.34	1.39	2.08	0.61	0.37	1.03	1.12
ASCORBIC ACID	ME236541	2.18	0.58	1.35	0.87	0.14	0.75	0.65	1.09	0.64	1.12	0.74	0.11	0.93	0.41	1.31	1.05	1.28	0.21	1.03	2.52
Pyruvate	ME236645	1.52	0.70	1.14	0.88	0.50	0.86	0.85	1.08	0.78	1.12	0.83	0.33	0.96	0.78	1.22	1.03	1.18	0.51	1.07	1.67
N-ACETYLGLYCINE	ME236626	0.51	0.86	0.91	0.74	2.13	1.73	0.48	0.68	1.27	0.95	1.26	1.93	1.49	1.28	0.61	0.83	0.52	0.64	0.86	0.88
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE	ME236577	1.04	1.28	0.83	2.02	1.45	0.65	1.96	1.36	1.12	1.00	0.97	1.82	0.58	0.86	0.86	0.65	1.03	0.70	0.98	0.70
Xanthurenic Acid	ME236669	1.09	1.29	0.84	1.34	2.06	0.98	1.23	1.67	1.10	1.44	1.48	1.62	0.58	0.68	0.77	0.58	0.57	1.19	0.97	0.68
THREONINE/HOMOSERINE	ME236658	1.06	0.96	0.75	0.82	0.79	1.88	2.01	0.84	1.00	1.22	0.93	0.74	1.24	0.70	1.36	1.31	1.26	1.50	0.79	0.66
LysoPE (20:4)	ME236617	1.52	0.98	1.15	1.12	0.91	0.71	0.53	0.34	1.03	0.59	0.64	1.12	0.42	1.29	0.85	0.35	0.97	1.03	1.39	0.93
Sphingosine-1-phosphate	ME236649	1.85	0.70	1.14	1.22	0.72	0.90	0.70	0.37	1.30	0.70	0.72	1.43	0.28	1.30	1.08	0.32	1.07	0.53	1.03	0.86
Plasmenyl-LysoPE (P-18:1)	ME236642	1.17	0.72	1.06	1.01	0.76	1.00	1.59	0.50	1.57	0.76	1.52	1.66	0.18	0.95	0.72	0.34	0.81	0.49	1.17	0.83
LysoPE (18:1)_R1	ME236615	0.84	0.70	1.30	1.00	0.53	0.76	0.54	1.31	1.27	0.99	2.09	0.75	0.65	1.42	0.72	0.42	0.61	0.43	1.11	0.53
LysoPE (16:0)_R1	ME236612	0.99	0.75	1.26	0.63	0.51	0.75	0.71	1.07	1.37	0.81	1.74	1.63	0.57	1.34	0.77	0.36	0.79	0.35	1.06	0.72
LysoPE (18:0)	ME236614	1.30	0.84	1.25	0.71	0.41	0.78	0.80	0.82	1.38	0.78	1.52	1.42	0.44	1.31	0.71	0.33	0.81	0.37	1.11	0.76
LysoPC (18:1)	ME236611	0.73	0.77	1.44	0.93	0.35	0.89	0.54	1.12	1.29	0.98	1.45	1.74	0.62	1.28	0.86	0.38	0.68	0.31	1.12	0.48
Mono-(2-Ethylhexyl) Phthalate Dimer	ME236621	0.93	0.87	1.30	0.87	0.50	0.94	0.89	1.03	1.20	0.91	1.37	1.52	0.71	1.23	0.84	0.42	0.86	0.44	1.11	0.65
N-ACETYLNEURAMINATE	ME236627	1.56	1.25	0.84	1.26	1.06	0.64	1.02	0.69	1.25	0.89	0.89	1.09	0.84	0.67	0.81	0.73	2.31	1.25	0.82	1.32
L-GLUTAMIC ACID;N-METHYL-D-ASPARTIC ACID;O-ACETYL-L-SERINE;O-Acetyl-L-Serine	ME236598	2.20	1.50	1.03	1.11	0.81	0.97	1.33	0.79	1.11	0.71	1.21	0.69	0.57	0.79	0.85	0.73	1.11	1.11	0.88	1.20
ADP	ME236534	1.94	1.75	1.16	2.14	1.37	0.84	0.68	0.76	0.67	0.77	1.13	0.79	0.56	1.12	0.91	0.62	1.29	1.35	0.87	1.07
TAURINE	ME236654	1.74	1.58	1.07	1.47	1.26	0.87	0.93	0.58	1.12	0.73	1.07	0.91	0.55	0.82	0.83	0.78	1.04	1.13	0.99	1.03
Uracil	ME236661	1.66	1.96	1.04	1.82	1.03	0.73	0.71	0.83	1.04	0.95	1.01	1.04	0.91	0.91	0.97	0.80	0.87	0.85	0.88	0.83
CREATINE	ME236560	1.10	0.69	0.60	0.60	1.69	1.06	1.46	0.53	0.89	0.68	1.34	1.14	0.77	0.96	0.89	1.07	0.68	1.94	1.20	1.59
SARCOSINE/BETA-ALANINE	ME236647	1.15	0.70	0.68	0.63	1.63	1.10	1.31	0.63	0.91	0.73	1.37	1.18	0.81	0.97	0.88	1.10	0.77	1.83	1.13	1.42
3-UREIDOPROPIONATE	ME236522	0.57	1.11	1.06	0.73	0.28	1.03	1.16	1.27	0.96	1.29	0.46	0.90	0.81	1.02	1.06	1.14	1.64	0.72	1.05	0.58
5-AMINOLEVULINIC ACID;4-HYDROXYPROLINE;trans-4-Hydroxy-L_Proline	ME236528	0.62	0.71	0.53	0.61	0.68	0.65	1.13	0.74	0.85	0.87	0.61	0.65	0.60	1.67	1.46	1.14	1.53	1.47	1.08	0.84
6-PHOSPHOGLUCONIC ACID_R1	ME236532	0.71	1.16	0.88	0.98	0.52	0.81	1.24	1.19	0.74	0.70	0.82	0.55	1.23	1.15	1.00	0.84	0.67	1.76	1.51	0.64
3-methyladipic acid	ME236520	0.98	0.94	0.93	0.92	1.77	0.95	0.99	1.11	1.07	1.07	0.93	1.70	0.74	1.08	0.78	0.99	1.30	0.84	0.83	0.97
6-Hydroxycaproic acid_R2	ME236531	0.89	0.95	1.04	0.99	1.93	1.27	0.82	1.28	1.07	0.65	0.90	0.84	0.64	1.17	0.77	1.08	1.50	0.50	0.86	0.92
6-PHOSPHOGLUCONIC ACID_R2	ME236533	1.04	0.83	0.78	0.71	1.81	0.58	0.89	0.97	0.91	0.84	0.59	1.27	0.88	1.08	1.04	0.83	0.93	1.26	1.41	0.70
AZELAIC ACID	ME236544	1.13	1.12	0.85	0.79	2.30	0.99	1.09	1.25	1.06	0.89	1.48	0.53	0.62	1.09	0.90	0.79	0.75	1.01	1.05	0.73
ALPHA-HYDROXYISOBUTYRIC ACID	ME236538	1.36	1.02	1.07	0.75	2.35	0.96	1.34	0.95	0.94	0.92	0.88	1.00	0.54	1.02	0.81	0.66	0.78	0.78	1.21	0.74
CITRAMALATE	ME236557	1.17	0.97	1.08	0.72	2.13	0.71	0.94	0.85	1.01	0.93	0.87	0.73	0.48	1.06	0.75	1.07	0.61	0.68	1.25	0.86
4-GUANIDINOBUTANOATE	ME236524	0.68	0.55	0.95	0.90	0.82	1.01	1.11	1.14	0.83	2.22	1.25	0.91	0.87	0.98	1.01	0.85	0.81	1.44	0.98	0.91
3-METHOXY-4-HYDROXYMANDELATE	ME236519	0.85	0.77	1.01	1.21	0.55	1.01	0.90	1.45	0.95	1.48	1.76	2.02	0.71	1.00	0.88	1.28	0.78	0.73	0.78	0.93
4-ACETAMIDOBUTANOATE	ME236523	0.94	0.75	0.96	1.59	1.09	1.00	0.95	1.16	1.34	0.77	1.28	1.71	0.74	0.90	0.73	1.43	0.99	0.95	0.81	0.80
D-SACCHARIC ACID_R2	ME236566	0.90	1.41	0.86	1.19	1.24	0.44	0.76	0.73	1.10	0.59	1.46	1.05	0.96	1.12	1.09	0.86	0.87	0.35	1.29	0.75
ALPHA-KETOGLUTARIC ACID+2H	ME236539	1.09	1.47	0.86	1.24	1.36	0.56	0.74	0.93	0.98	0.82	1.16	1.06	1.03	1.08	1.06	0.91	1.06	0.45	1.13	0.81
D-SACCHARIC ACID_R1	ME236565	1.16	1.43	0.82	1.14	1.37	0.44	0.65	0.92	0.95	0.75	1.20	0.94	0.96	1.16	0.98	0.93	1.14	0.40	1.21	0.80
3-SULFINO-L-ALANINE	ME236521	1.39	1.61	1.20	1.00	0.77	0.61	0.56	0.64	0.82	0.86	0.95	0.59	0.51	1.38	0.78	0.73	1.14	0.86	1.21	0.74
Guanosine	ME236586	1.42	1.58	1.21	1.25	1.39	0.76	0.58	1.21	0.85	0.70	0.99	0.86	0.45	1.25	0.65	0.53	0.94	0.81	1.26	0.61
UROCANATE	ME236664	1.27	0.65	0.84	0.49	0.63	0.81	1.46	0.57	0.82	1.12	1.45	0.94	0.83	1.17	0.89	1.16	1.04	0.63	1.31	0.81
CITRULLINE	ME236559	0.85	0.75	1.11	0.63	0.68	1.55	0.89	0.87	1.02	1.39	1.68	1.49	0.77	1.00	0.96	1.11	0.81	1.22	0.98	0.42
L-ARGININE	ME236594	0.74	0.94	0.93	1.26	0.67	1.43	1.02	1.03	0.97	1.18	1.61	1.30	0.86	1.07	0.94	0.95	0.88	1.40	1.00	0.55
N-FORMYLGLYCINE	ME236636	0.91	0.85	1.02	1.08	1.43	1.30	0.66	0.96	1.04	1.15	1.03	0.64	1.12	0.99	0.97	0.94	1.00	1.84	0.83	1.09
HEXANESULFONIC ACID-Sulfate	ME236587	1.14	1.11	0.99	0.95	1.17	1.19	1.59	1.11	1.16	0.94	0.98	0.88	0.65	0.84	0.58	1.29	1.46	1.16	0.88	0.73
ASPARTATE	ME236543	1.04	0.91	1.13	0.97	0.93	1.02	0.65	1.26	1.17	1.27	0.79	1.79	0.85	0.94	0.89	1.01	0.88	1.07	0.80	0.88
GLYCOLATE	ME236583	1.27	0.98	0.76	0.78	1.11	0.73	1.09	0.86	0.90	0.88	1.01	1.89	0.94	1.18	1.16	0.99	0.78	1.12	1.04	0.99
Kynurenic Acid	ME236591	0.86	1.25	0.96	1.32	0.66	1.27	0.92	1.43	1.10	1.52	1.39	1.34	0.54	0.78	0.88	0.81	0.79	0.99	0.93	0.81
L-KYNURENINE	ME236603	0.97	1.00	1.22	1.19	0.61	0.94	0.85	1.40	1.25	1.42	1.31	0.99	0.90	0.70	1.11	0.91	1.01	0.90	0.79	0.81
4-METHYL-2-OXO-PENTANOIC ACID	ME236526	1.09	1.00	1.11	0.72	1.19	1.00	1.00	1.38	0.99	0.96	1.18	0.66	0.62	0.97	0.97	0.85	0.74	0.91	1.16	0.78
L-VALINE	ME236610	1.30	1.00	1.05	1.03	1.23	0.90	0.98	1.23	1.03	0.97	1.55	0.70	0.75	0.89	1.05	0.82	0.85	1.18	1.06	0.72
LEUCINE	ME236597	1.35	1.00	0.99	0.95	0.90	0.99	1.02	1.35	1.09	0.94	1.81	0.77	0.64	0.96	0.93	0.79	0.80	1.58	1.02	0.63
L-ISOLEUCINE	ME236602	1.34	1.01	0.95	0.99	0.89	0.94	0.96	1.57	1.09	0.89	2.04	0.70	0.73	0.94	0.93	0.80	0.75	1.47	1.04	0.60
L-METHIONINE	ME236605	1.06	0.98	0.85	1.08	0.82	1.05	0.99	1.16	0.99	1.00	1.67	1.08	0.99	1.03	0.99	0.90	0.96	1.50	1.01	0.74
L-TYROSINE	ME236608	1.39	1.01	0.93	1.27	0.59	0.99	1.22	1.12	1.04	0.97	1.48	0.86	1.02	0.94	1.15	0.77	1.13	1.29	0.94	0.75
4-Hydroxyphenylacetate	ME236525	0.99	1.09	1.31	0.85	1.66	1.06	0.98	1.02	1.25	1.08	0.96	0.66	0.66	0.95	0.68	0.99	0.80	1.26	0.78	1.04
FERULATE	ME236570	0.95	1.27	1.21	1.02	1.31	0.97	0.86	1.26	1.11	1.28	1.06	0.56	0.70	1.02	0.88	1.14	1.07	0.82	0.69	0.90
N-METHYL-L-GLUTAMATE;ALPHA-AMINOADIPATE;L-2-Aminoadipic Acid_R1	ME236638	1.00	0.91	1.10	0.81	0.91	1.38	0.97	0.77	1.06	1.13	0.79	1.04	0.74	1.06	1.07	0.93	0.95	1.58	0.92	0.77
EDTA	ME236567	1.00	1.10	1.09	1.08	0.98	1.05	0.79	1.06	0.90	1.10	0.98	1.52	0.98	0.94	1.08	1.17	0.84	1.70	0.88	0.86
INDOLE-3-ACETATE	ME236588	1.10	0.82	1.05	0.95	1.22	1.37	0.96	1.11	1.01	1.10	1.02	1.34	0.86	0.94	0.94	1.23	0.70	1.60	0.81	0.92
GUANIDINOACETATE	ME236585	0.96	1.04	0.93	0.72	0.58	1.20	1.24	1.09	0.90	1.21	0.97	1.32	0.83	1.14	0.89	1.13	1.02	1.31	1.00	0.60
L-SERINE	ME236607	0.68	1.07	0.92	0.79	0.94	1.31	1.44	1.03	1.04	1.00	1.16	1.04	1.11	0.93	1.24	1.02	0.89	1.35	1.00	0.64
ALLANTOIN	ME236537	0.92	0.76	1.03	1.06	0.80	0.69	0.81	1.66	1.04	1.16	1.05	0.94	0.95	1.21	0.91	0.95	1.14	0.79	0.91	0.77
3-HYDROXYKYNURENINE	ME236518	1.03	0.91	0.88	1.25	1.12	0.89	0.99	1.15	1.12	1.34	1.18	0.86	0.97	0.91	1.09	0.87	1.19	1.33	0.79	1.00
L-HISTIDINE	ME236600	0.80	1.09	0.92	1.35	1.06	1.09	1.05	1.13	1.10	0.92	1.03	0.91	1.07	1.01	1.08	0.92	0.96	1.65	0.92	0.74
ASPARAGINE	ME236542	0.78	0.84	0.88	1.12	0.82	1.13	0.96	1.24	1.13	1.00	0.97	1.21	0.96	0.93	0.87	0.95	1.14	1.21	1.11	0.67
L-GLUTAMINE	ME236599	0.66	0.95	1.03	1.18	0.79	1.19	0.90	1.03	1.12	1.17	1.04	1.08	1.03	1.00	1.02	0.93	0.99	1.19	0.95	0.77
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE	ME236573	1.36	0.80	0.93	1.09	0.62	0.80	0.69	0.80	0.94	1.01	1.21	0.86	0.83	1.00	0.89	1.06	0.99	0.81	1.26	0.97
GLYCERIC ACID	ME236576	1.41	1.04	0.89	1.23	1.06	0.70	1.13	0.90	1.10	0.85	1.05	1.13	0.74	1.05	1.04	1.07	1.04	0.77	0.97	0.85
LACTATE	ME236592	1.07	0.70	1.02	1.04	0.72	1.21	0.99	1.07	0.92	1.06	0.74	1.01	0.73	1.00	1.17	0.92	1.10	0.70	0.98	1.32
3-HYDROXY-3-METHYLGLUTARATE	ME236516	1.45	0.98	1.14	0.82	0.93	0.85	0.91	1.02	1.02	0.95	0.98	0.79	0.65	0.94	1.02	1.07	0.82	1.03	1.05	0.90
6-Hydroxycaproic acid_R1	ME236530	1.06	0.87	1.10	0.90	1.02	1.01	0.67	0.88	0.89	1.21	0.77	0.83	0.69	1.22	1.03	1.08	0.76	0.95	1.04	0.90
NALPHA-ACETYL-L-LYSINE	ME236629	1.08	0.93	1.05	0.96	0.96	0.74	0.87	1.24	1.06	1.06	1.47	0.87	0.90	0.98	0.83	1.01	1.03	1.08	0.95	1.03
N-formyl-L-methionine	ME236637	0.92	1.02	1.10	0.87	0.86	0.86	0.81	1.20	1.07	1.14	1.36	1.05	0.75	1.03	0.84	1.18	0.96	0.96	0.92	0.83
ISOCITRIC ACID	ME236590	1.12	0.76	1.13	1.03	0.88	0.83	1.06	1.18	1.08	1.11	1.22	1.04	0.81	0.98	1.13	1.04	0.89	0.96	0.88	0.90
URATE_R2	ME236663	1.19	0.86	1.20	0.86	0.66	0.98	0.87	1.44	0.97	1.12	1.13	0.92	0.73	0.99	1.02	0.99	0.90	1.07	0.86	1.12
L-CARNITINE	ME236595	0.80	0.94	0.92	1.02	0.70	1.31	1.05	1.15	0.93	0.88	1.14	0.70	1.02	1.09	1.06	0.87	1.11	0.86	1.04	1.13
L-CYSTEINE	ME236596	0.93	1.20	1.01	0.90	0.86	1.24	1.08	1.07	0.96	1.04	1.18	0.93	0.86	0.97	1.05	0.95	0.96	1.25	0.89	1.13
CITRATE	ME236558	0.71	0.71	1.04	0.98	0.95	0.91	0.84	0.86	1.03	1.05	0.83	1.22	1.16	1.11	1.05	1.09	1.21	1.02	0.99	0.90
Fumaric Acid	ME236572	0.82	0.80	1.06	0.89	0.98	0.97	0.68	1.00	0.93	1.26	1.03	1.19	1.02	1.05	0.99	0.86	1.16	1.01	1.04	0.99
LL-2,6-DIAMINOHEPTANEDIOATE	ME236604	0.86	0.99	1.01	0.92	1.03	1.06	0.69	0.99	1.14	1.12	1.09	1.07	1.03	0.94	0.97	0.94	1.03	0.97	0.99	0.92
N-ACETYL-D-MANNOSAMINE	ME236625	1.24	0.95	1.05	1.02	0.96	1.28	0.73	0.84	1.03	0.90	0.98	0.82	1.00	0.99	1.03	1.01	1.00	1.12	0.90	1.14
MALATE;OXALOACETATE+2H-H	ME236619	1.04	0.72	1.06	0.88	1.01	0.85	0.91	1.13	0.91	1.01	1.10	0.89	0.78	0.99	1.08	0.92	1.13	0.76	1.11	1.12
N-ACETYL-DL-SERINE;O-ACETYL-L-SERINE	ME236624	1.10	0.87	1.07	0.86	0.99	0.75	0.84	1.23	1.00	1.06	1.24	0.86	0.88	0.99	0.96	0.96	0.95	0.68	1.08	1.00
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID	ME236563	1.23	0.85	1.00	0.86	0.84	0.81	1.20	0.83	0.96	0.84	0.91	1.08	0.84	1.06	0.96	1.11	0.93	0.77	1.11	1.13
C6H12O6-HEXOSE/KETOSE/INOSITOL	ME236548	1.19	0.87	1.08	0.86	1.05	0.96	0.98	0.94	0.97	0.93	0.96	0.87	0.90	0.99	1.04	1.08	1.06	0.86	1.01	1.07
PHOSPHOCHOLINE	ME236641	1.27	0.94	1.02	0.83	0.94	0.92	0.95	0.88	0.90	0.92	0.94	0.96	0.93	0.98	1.07	1.03	0.94	0.86	1.12	1.08
GLUCOSE/FRUCTOSE_R1	ME236574	1.29	0.92	1.01	0.80	0.93	0.92	0.97	0.87	0.91	0.93	0.94	0.95	0.95	0.98	1.05	1.04	0.95	0.85	1.13	1.10
GLUCOSE/FRUCTOSE_R2	ME236575	1.28	0.92	1.01	0.80	0.94	0.92	0.97	0.87	0.91	0.93	0.93	0.96	0.95	0.97	1.05	1.04	0.95	0.85	1.13	1.10
Creatine-D3	ME236561	1.00	1.07	1.01	1.07	1.06	0.94	0.95	0.95	1.01	0.95	0.99	1.01	0.97	0.99	0.96	0.95	1.07	0.87	1.04	1.04
L-Phenylalanine-13C6	ME236606	0.99	0.94	0.93	0.93	0.98	1.07	1.09	0.99	0.98	1.03	1.08	1.00	0.99	1.01	1.05	0.96	1.07	0.91	1.01	1.00
L-Tyrosine-13C6	ME236609	1.03	0.94	0.92	1.07	1.02	1.03	1.08	1.05	0.98	1.03	1.11	0.94	1.09	1.00	1.03	0.86	1.12	1.05	0.99	1.01
N-ACETYLSEROTONIN	ME236628	1.11	1.05	1.01	0.96	0.91	1.03	1.03	1.07	0.97	1.05	1.03	1.00	1.14	0.97	1.05	0.97	1.01	1.00	0.92	1.10
URATE_R1	ME236662	1.02	0.98	1.05	0.96	0.93	1.01	0.95	1.12	0.99	1.06	1.02	0.99	0.92	1.01	0.99	0.99	0.99	1.03	0.95	1.05
Tryptophan-2,3,3-D3	ME236660	1.03	0.97	0.99	1.01	0.95	0.99	0.98	1.01	0.99	1.00	0.99	1.03	1.02	1.01	1.05	0.99	1.02	1.00	0.99	1.00
N-BOC-L-tert-Leucine_R1	ME236632	1.02	0.98	1.01	0.97	0.97	1.01	0.96	1.03	0.98	1.00	1.03	0.99	1.01	1.02	1.00	0.98	1.02	0.97	1.00	0.99
N-BOC-L-tert-Leucine_R2	ME236633	1.01	0.99	1.00	0.99	0.96	1.00	0.98	1.02	0.99	0.99	1.01	1.00	1.01	1.01	1.00	0.99	1.02	0.99	1.00	1.01
Salicylic Acid-D4	ME236646	1.03	0.94	0.99	1.00	0.98	0.99	0.93	0.90	0.99	1.03	1.04	1.02	0.99	1.04	1.05	0.95	0.95	1.02	1.01	1.01
BOC-L-Tyrosine_R1	ME236546	1.04	0.97	1.01	1.04	0.99	1.01	0.97	0.89	0.99	1.02	1.00	0.98	1.00	1.04	1.02	0.98	0.94	1.01	1.01	1.00
BOC-L-Tyrosine_R2	ME236547	1.04	0.97	1.00	1.04	0.99	1.01	0.94	0.91	1.00	1.02	0.99	0.98	1.00	1.04	1.02	0.97	0.95	1.01	1.01	0.98
Succinic-2,2,3,3-D4 Acid	ME236651	1.07	0.92	1.02	1.00	0.98	0.96	0.94	1.07	0.99	1.07	1.13	1.12	0.98	0.99	1.04	0.97	0.98	1.11	0.99	0.90
N-BOC-L-Aspartic Acid_R1	ME236630	1.05	0.94	0.99	0.97	0.98	1.00	0.97	1.02	0.98	1.05	1.09	1.13	1.02	0.99	1.03	1.00	1.03	1.01	0.98	0.98
N-BOC-L-Aspartic Acid_R2	ME236631	1.06	0.93	0.99	0.98	0.96	1.02	0.91	1.03	0.99	1.07	1.06	1.12	1.02	1.01	1.04	0.98	1.04	0.98	0.97	0.96
LACTATE-dimer	ME236593	1.03	0.91	0.97	1.04	0.94	1.00	1.10	0.96	0.93	0.97	0.93	0.85	0.99	1.05	0.98	0.93	1.10	0.81	1.07	1.15
N-BOC-L-Tryptophan_R1	ME236634	1.01	0.86	1.00	0.98	0.85	1.11	1.17	0.92	0.95	0.94	0.82	1.02	0.94	1.07	1.06	1.04	1.04	0.89	1.02	1.05
N-BOC-L-Tryptophan_R2	ME236635	1.00	0.85	1.00	0.97	0.86	1.13	1.19	0.95	0.93	0.94	0.81	1.01	0.93	1.09	1.08	1.02	1.04	0.87	1.02	1.04
SUCCINATE	ME236650	1.20	0.92	0.97	0.98	1.20	1.04	0.83	0.83	0.97	1.18	1.22	1.16	0.93	1.13	0.89	0.93	0.90	1.15	0.98	0.81
Tryptophan	ME236659	1.03	1.07	1.07	0.90	0.88	1.03	0.90	1.17	1.13	1.12	1.20	1.03	1.08	0.97	0.94	0.78	0.76	1.06	1.00	0.75
4-oxoproline;5-OXO-L-PROLINE	ME236527	1.12	1.28	0.97	1.20	1.47	1.12	0.83	1.02	1.15	0.87	1.09	1.13	0.89	0.93	0.88	0.70	1.20	0.97	0.94	0.89
2-hydroxyglutarate	ME236512	1.06	1.48	1.02	0.98	1.03	0.79	0.66	0.88	0.97	0.95	0.98	1.12	0.78	0.99	0.96	0.98	0.92	1.16	1.07	0.97
S-CARBOXYMETHYL-L-CYSTEINE	ME236648	1.11	1.43	0.94	0.97	0.97	0.97	0.71	0.89	0.84	1.15	1.18	1.43	0.78	1.12	1.11	0.95	0.82	1.02	1.05	0.68
5-HYDROXY-L-TRYPTOPHAN	ME236529	0.85	0.94	1.01	0.78	1.06	0.80	0.66	0.87	1.07	0.78	1.05	1.21	1.07	1.22	0.86	0.67	1.05	1.00	1.28	0.60
Sulfoacetaldehyde	ME236652	1.18	0.91	0.95	1.04	1.18	0.83	0.53	0.82	0.92	0.80	0.63	0.93	1.25	1.21	0.99	1.08	1.05	0.95	1.08	1.03
INDOXYL SULFATE	ME236589	0.16	0.57	0.15	0.13	0.28	0.86	0.18	1.66	0.82	0.15	0.22	0.15	0.13	1.31	0.19	0.24	1.04	25.18	0.41	0.18
TARTARIC ACID	ME236653	0.27	0.27	0.22	6.89	0.20	0.21	0.22	0.51	0.45	3.32	0.74	0.20	0.25	1.00	0.29	0.37	0.29	18.27	0.24	0.30

Factors:

F1	race:1 \| diplotype:1 \| ethnicity:1 \| ever_smoked:1 \| daily_dose:2
F2	race:1 \| diplotype:1 \| ethnicity:2 \| ever_smoked:1 \| daily_dose:2
F3	race:1 \| diplotype:1 \| ethnicity:2 \| ever_smoked:2 \| daily_dose:2
F4	race:1 \| diplotype:1 \| ethnicity:2 \| ever_smoked:2 \| daily_dose:3
F5	race:1 \| diplotype:2 \| ethnicity:1 \| ever_smoked:2 \| daily_dose:2
F6	race:1 \| diplotype:2 \| ethnicity:2 \| ever_smoked:1 \| daily_dose:2
F7	race:1 \| diplotype:2 \| ethnicity:2 \| ever_smoked:1 \| daily_dose:3
F8	race:1 \| diplotype:2 \| ethnicity:2 \| ever_smoked:1 \| daily_dose:4
F9	race:1 \| diplotype:2 \| ethnicity:2 \| ever_smoked:2 \| daily_dose:2
F10	race:1 \| diplotype:2 \| ethnicity:2 \| ever_smoked:2 \| daily_dose:3
F11	race:1 \| diplotype:2 \| ethnicity:- \| ever_smoked:2 \| daily_dose:3
F12	race:2 \| diplotype:1 \| ethnicity:2 \| ever_smoked:1 \| daily_dose:2
F13	race:2 \| diplotype:1 \| ethnicity:2 \| ever_smoked:1 \| daily_dose:4
F14	race:2 \| diplotype:1 \| ethnicity:2 \| ever_smoked:2 \| daily_dose:2
F15	race:2 \| diplotype:1 \| ethnicity:2 \| ever_smoked:2 \| daily_dose:3
F16	race:2 \| diplotype:2 \| ethnicity:2 \| ever_smoked:1 \| daily_dose:2
F17	race:2 \| diplotype:2 \| ethnicity:2 \| ever_smoked:1 \| daily_dose:3
F18	race:2 \| diplotype:2 \| ethnicity:2 \| ever_smoked:2 \| daily_dose:1
F19	race:2 \| diplotype:2 \| ethnicity:2 \| ever_smoked:2 \| daily_dose:2
F20	race:2 \| diplotype:2 \| ethnicity:2 \| ever_smoked:2 \| daily_dose:4

Data matrix