Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000992)

(Analysis AN001618)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
3-METHYLXANTHINE (M-H)-	ME247933	0.35	0.18	0.93	2.33	1.48	0.61
1,3,7-TRIMETHYLURIC ACID (M-H)-	ME247927	1.02	1.53	0.96	0.72	1.26	2.44
GLYCOLITHOCHOLATE (M-H)-	ME247955	1.61	1.77	0.79	0.48	0.71	1.60
4-ACETAMINOPHEN SULFATE (M-H)-	ME247934	1.85	0.45	0.98	0.01	1.46	NA
CHOLATE (M+Cl)-	ME247940	0.51	0.40	1.07	0.94	1.74	NA
GLUTARATE (M-H)-	ME247953	0.99	NA	1.13	0.58	0.65	NA
URSODIOL (M+HCOO)-	ME247988	0.40	0.32	1.32	0.62	0.93	0.09
N-ACETYL-D-GLUCOSAMINE (M+Cl)-	ME247972	0.80	0.98	1.05	1.09	NA	NA
16:0 LYSO PC (M+HCOO)-	ME247929	0.76	0.62	1.08	1.20	0.72	0.43
GLYCOCHOLATE (M-H)-	ME247954	0.65	0.48	1.18	1.15	0.30	0.23
INOSINE (M-H)-	ME247959	2.14	1.17	0.85	0.58	0.67	0.12
4-PYRIDOXATE (M-H)-	ME247936	1.65	0.66	0.89	0.83	0.86	0.54
MANDELIC ACID (M-H)-	ME247969	1.82	0.65	0.75	1.25	1.30	0.35
HIPPURATE (M-H)-	ME247957	1.13	0.88	0.95	0.89	1.67	1.38
METHYL BETA-D-GALACTOSIDE (M+Cl)-	ME247970	1.42	0.79	0.95	0.59	1.21	1.70
16:0 LYSO PC (M+Cl)-	ME247928	0.69	0.55	1.09	1.15	0.71	1.69
HYODEOXYCHOLATE (M-H)-	ME247958	0.92	0.64	1.02	1.12	0.86	1.40
THEOPHYLLINE (M-H)-	ME247983	1.00	1.16	1.00	0.88	1.00	1.75
PURINE (M-H)-	ME247978	0.50	1.09	1.12	1.02	0.72	1.10
BILIVERDIN (M-H)-	ME247939	0.95	1.01	1.06	0.76	0.99	1.29
ISOLEUCINE (M-H)-	ME247962	0.89	1.29	1.05	0.85	0.88	1.23
LEUCINE (M-H)-	ME247964	0.88	1.26	1.06	0.84	0.83	1.22
CIS-ACONITATE (M-H)-	ME247942	1.00	0.98	1.00	0.97	1.09	NA
ADIPIC ACID (M-H)-	ME247937	1.14	0.60	0.99	1.01	1.08	0.44
DEOXYCHOLIC ACID (M+Cl)-	ME247949	0.92	0.47	1.14	0.56	0.97	0.25
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	ME247931	0.95	0.80	0.96	1.24	1.46	0.39
XANTHINE (M-H)-	ME247990	0.97	1.12	0.99	0.85	1.73	0.63
3-(4-HYDROXYPHENYL)LACTATE (M-H)-	ME247932	0.86	0.80	1.04	0.94	1.63	0.42
URSODIOL (M-H)-	ME247989	1.11	0.83	0.96	0.79	1.71	0.52
CIS-7,10,13,16-DOCOSATETRAENOIC ACID (M-H)-	ME247941	1.18	1.40	0.98	0.81	0.76	0.73
LINOLEATE (M-H)-	ME247966	1.21	1.30	0.95	0.90	0.92	0.93
PALMITATE (M-H)-	ME247975	1.24	1.30	0.94	0.89	0.91	0.80
1-METHYLXANTHINE (M-H)-	ME247930	0.79	1.24	1.02	1.12	1.03	0.93
CORTISOL (M+Cl)-	ME247944	1.00	1.03	1.00	0.94	1.32	0.46
CORTISOL (M+HCOO)-	ME247945	0.95	1.09	1.01	0.98	1.30	0.45
URIDINE (M+Cl)-	ME247986	0.95	1.24	1.01	0.86	1.45	0.58
GULONO-1,4-LACTONE (M-H)-	ME247956	1.00	1.28	1.01	0.83	1.26	0.63
URIDINE (M-H)-	ME247987	1.00	1.18	1.01	0.86	1.29	0.60
(S)-3-METHYL-2-OXOPENTANOATE (M-H)-	ME247926	0.81	1.05	1.03	1.02	1.37	0.81
TRYPTOPHAN (M-H)-	ME247984	0.88	0.94	1.02	0.97	1.45	0.85
PHENYLALANINE (M-H)-	ME247977	0.90	1.20	1.01	0.93	1.49	0.81
TYROSINE (M-H)-	ME247985	1.01	1.10	1.00	0.86	1.39	0.89
DEHYDROASCORBATE (M-H)-	ME247948	1.10	1.20	0.98	0.79	1.17	0.93
BENZOATE (M-H)-	ME247938	0.93	1.07	1.07	0.76	1.08	0.61
L-HISTIDINE (M-H)-	ME247965	1.00	1.02	1.00	0.95	1.21	0.79
CITRULLINE (M-H)-	ME247943	1.11	1.01	0.96	0.97	1.28	0.80
N-ACETYL-L-ALANINE (M-H)-	ME247973	1.02	1.00	0.98	1.02	1.28	0.80
CORTISONE (M+Cl)-	ME247946	0.88	1.08	1.02	1.07	1.07	0.63
CORTISONE (M+HCOO)-	ME247947	0.86	1.09	1.01	1.11	1.17	0.70
4-NITROPHENOL (M-H)-	ME247935	0.90	1.11	1.03	0.96	1.10	0.71
GIBBERELLIC ACID [ISTD] (2M-H)-	ME247951	0.93	1.22	1.01	0.96	1.17	0.67
ISOCITRATE (M-H)-	ME247961	1.02	1.07	1.01	0.89	1.03	0.94
EPIBRASSINOLIDE [ISTD] (M+HCOO)-	ME247950	0.98	1.01	1.01	0.99	1.05	0.75
GIBBERELLIC ACID [ISTD] (M-H)-	ME247952	0.97	1.12	1.00	0.99	1.06	0.82
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	ME247967	0.97	1.07	1.00	1.01	1.09	0.81
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	ME247963	0.95	0.94	0.96	1.37	0.96	0.44
PANTOTHENATE (M-H)-	ME247976	1.14	0.94	0.92	1.23	1.03	0.66
INOSINE 5^-DIPHOSPHATE (M-H)-	ME247960	0.93	1.10	1.00	1.15	0.76	0.90
STEARATE (M-H)-	ME247981	1.08	1.10	0.93	1.29	0.73	0.74
ORNITHINE (M-H)-	ME247974	1.06	0.76	1.02	1.01	0.75	0.66
SUBERIC ACID (M-H)-	ME247982	0.97	0.91	1.02	1.01	0.86	0.82
MALATE (M-H)-	ME247968	1.03	0.88	1.02	0.94	0.91	0.82
SEBACIC ACID (M-H)-	ME247980	1.05	0.81	1.01	0.96	0.97	0.83
METHYLMALONATE (M-H)-	ME247971	0.95	3.97	0.85	0.89	1.01	0.86
SALICYLATE (M-H)-	ME247979	2.31	4.53	0.64	0.10	0.39	0.09

Factors:

F1	Gender:Female \| Metabolic syndrome:No \| Smoker:No
F2	Gender:Female \| Metabolic syndrome:Yes \| Smoker:No
F3	Gender:Male \| Metabolic syndrome:No \| Smoker:No
F4	Gender:Male \| Metabolic syndrome:No \| Smoker:Yes
F5	Gender:Male \| Metabolic syndrome:Yes \| Smoker:No
F6	Gender:Male \| Metabolic syndrome:Yes \| Smoker:Yes

Data matrix