Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomic Markers of Dietary Patterns in the Costa Rica Study (Study ST000992)

C18 HRMS NEGATIVE ION MODE (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