Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002679)

Reversed phase NEGATIVE ION MODE (Analysis AN004351)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14
indole lactate	ME633764	0.92	0.84	0.91	1.50	1.48	0.89	1.00	0.66	1.09	0.75	0.94	0.83	0.97	0.83
FA(24:1)	ME633803	1.06	0.60	0.88	2.08	0.19	0.65	1.00	0.94	1.06	0.84	0.99	1.16	0.64	0.76
xanthosine	ME633786	0.73	2.17	1.04	0.76	0.01	0.75	1.16	0.44	1.20	0.89	1.57	0.57	1.57	1.33
malate	ME633735	0.93	0.70	0.87	1.61	0.10	1.27	1.12	0.79	1.10	1.01	0.89	0.78	0.95	0.89
FA(22:4)	ME633799	0.30	1.47	0.65	4.35	0.07	0.57	0.31	0.84	0.47	0.77	0.20	0.69	0.19	1.27
glycodeoxycholate	ME633815	0.56	1.67	1.06	1.26	0.02	1.43	1.31	0.88	0.64	1.08	0.88	0.44	0.78	2.94
hyodeoxycholate	ME633807	0.86	0.16	2.03	1.10	0.65	0.16	2.63	0.59	2.26	0.79	0.48	0.52	0.73	0.54
N-acetylphenylalanine	ME633765	0.99	0.88	0.67	2.64	0.82	0.73	0.99	0.38	1.04	0.27	0.64	0.33	1.13	0.91
lactate	ME633723	0.60	5.91	0.73	0.93	1.54	0.88	0.96	0.53	0.79	0.60	0.83	0.50	0.83	0.64
threonine	ME633729	0.83	0.64	0.94	1.28	3.15	1.07	0.88	0.69	1.04	0.73	0.87	0.53	0.77	0.66
indoleacrylate	ME633755	0.97	0.72	0.98	0.85	2.41	1.22	1.13	0.71	1.32	0.80	0.90	0.69	0.92	0.72
FA(10:0-COOH)	ME633762	0.92	0.54	1.21	3.01	0.49	0.56	1.16	0.55	1.32	0.61	0.72	0.47	0.76	0.57
FA(11:0-COOH)	ME633766	0.71	0.66	1.70	2.01	0.71	0.85	0.99	0.69	1.05	0.74	0.79	0.70	0.78	0.72
N-acetylleucine	ME633749	0.93	1.28	1.07	0.79	0.10	1.14	1.04	0.98	1.00	1.17	0.99	1.08	1.03	1.32
FA(20:3)	ME633793	0.48	1.36	0.58	4.81	0.05	0.30	0.43	0.50	0.53	0.43	0.29	0.42	0.35	1.26
tauro-alpha-muricholate	ME633825	0.76	2.11	1.10	1.20	NA	0.22	0.94	0.94	0.56	1.24	0.83	0.96	0.71	1.58
taurocholate	ME633828	1.38	1.16	1.17	1.25	0.00	0.66	1.38	1.07	1.36	1.15	1.44	1.13	1.14	1.09
tryosine	ME633753	1.18	0.88	1.04	1.71	0.93	0.79	1.20	0.78	1.26	0.98	1.14	0.83	1.22	1.09
histidine	ME633743	1.09	1.14	0.97	1.06	0.78	0.82	1.10	1.10	1.04	1.19	1.15	1.06	1.15	1.15
uridine	ME633773	0.72	0.62	0.48	4.48	0.03	0.51	0.57	0.27	0.64	0.37	0.47	0.20	0.45	0.54
phenylalanine	ME633746	0.71	6.57	0.63	0.81	0.31	0.53	0.71	0.50	0.80	0.61	0.69	0.52	0.68	0.61
tryptophan	ME633763	1.16	0.82	1.00	1.05	0.80	0.88	1.24	0.78	1.33	0.90	1.14	0.78	1.15	0.95
glutamine	ME633738	0.60	9.62	0.48	0.49	0.11	0.39	0.49	0.58	0.48	0.63	0.64	0.53	0.58	0.56
chenodeoxycholate	ME633808	0.65	0.07	1.13	1.32	1.94	0.08	2.52	0.06	5.43	0.41	0.41	0.05	0.08	0.11
FA(22:6(4Z,7Z,10Z,16Z,19Z))	ME633797	0.78	1.51	0.85	2.94	0.25	0.74	0.70	0.80	0.81	0.83	0.68	0.88	0.64	1.19
taurohyodeoxycholate	ME633820	0.92	0.36	1.27	1.10	0.00	0.24	2.60	1.55	1.79	0.82	1.06	0.80	0.87	0.53
FA(14:0)	ME633771	0.48	0.94	0.75	4.41	0.34	0.62	0.45	0.55	0.54	0.38	0.33	0.57	0.41	1.13
maleate	ME633727	0.66	1.09	0.95	1.15	0.09	1.16	1.03	1.27	0.92	1.17	1.04	1.04	1.01	1.02
hydroxyphenyllactic acid	ME633754	0.98	0.67	0.88	1.84	1.08	1.06	0.98	0.59	0.91	0.71	0.81	0.66	1.03	0.86
3-methyl-2-oxovalerate	ME633731	0.61	0.90	1.18	1.07	2.33	0.95	0.94	0.92	1.01	1.08	0.87	0.80	0.87	0.54
AMP	ME633802	0.92	0.79	1.20	1.13	0.05	1.65	1.61	0.70	1.75	0.71	0.66	0.57	0.66	0.69
FA(18:3)	ME633783	0.67	1.13	0.65	4.36	0.08	0.48	0.68	0.45	0.91	0.39	0.48	0.44	0.51	0.95
FA(16:1)	ME633775	0.47	0.86	0.47	5.40	0.14	0.46	0.40	0.40	0.44	0.28	0.25	0.38	0.36	0.79
glycochenodeoxycholate	ME633814	1.34	0.72	1.16	0.78	0.05	2.04	0.74	0.95	0.60	1.46	0.97	0.35	2.97	0.97
FA(16:0-COOH)	ME633788	1.28	0.31	0.98	4.01	0.17	0.23	1.12	0.34	1.40	0.42	0.53	0.33	0.85	0.45
S-allylcysteine	ME633745	1.30	0.87	1.21	1.59	0.01	1.15	0.82	0.77	0.40	0.95	0.99	0.66	1.03	1.08
3-hydroxybutyrate	ME633725	1.34	0.42	0.93	1.96	0.20	0.68	1.42	0.48	1.62	0.56	1.00	0.52	1.19	0.61
cholate	ME633810	1.26	0.05	1.07	0.70	1.37	0.65	3.85	0.05	2.66	1.04	0.63	NA	0.12	0.11
glycohyodeoxycholate	ME633817	0.61	1.05	1.08	0.90	0.01	0.08	3.91	0.67	2.98	0.85	0.67	0.32	0.84	0.43
FA(20:2)	ME633794	0.30	1.53	0.57	4.54	0.12	0.65	0.29	0.69	0.35	0.56	0.18	0.66	0.22	1.24
methyl-3-hydroxybenzoate	ME633742	1.19	1.57	1.02	1.18	NA	1.07	0.50	0.87	0.53	0.73	0.70	0.85	1.32	1.18
citrate	ME633759	0.96	0.82	1.03	1.05	1.41	1.17	1.10	0.91	1.09	0.91	0.93	0.80	0.98	0.73
FA(10:0-OH)	ME633757	0.86	0.89	1.59	1.79	0.60	0.60	0.87	0.86	0.70	1.03	0.76	0.70	0.69	0.80
succinate	ME633728	1.01	0.75	1.04	0.88	1.59	1.41	1.08	0.73	1.17	0.91	0.93	0.75	0.93	0.80
FA(8:0-OH)	ME633744	0.88	0.73	1.53	1.54	1.76	0.66	1.08	0.73	0.90	0.63	0.64	0.51	0.76	0.96
glycoursodeoxycholate	ME633816	0.61	1.06	1.08	0.90	0.01	0.08	3.90	0.67	2.98	0.85	0.67	0.32	0.84	0.43
glycocholate	ME633818	1.47	1.15	1.23	1.28	NA	0.56	0.92	0.60	0.79	0.96	1.53	0.35	1.62	1.07
phenyllactate	ME633747	0.31	0.80	1.19	0.94	0.49	0.19	0.30	4.38	0.59	1.49	0.27	0.71	0.47	2.17
serine	ME633726	1.16	6.59	0.65	0.92	0.28	0.51	1.05	0.48	1.11	0.60	1.03	0.40	0.87	0.56
retinoate	ME633790	0.76	1.57	1.19	1.75	0.53	0.75	0.82	0.76	1.91	0.82	0.72	0.70	0.69	1.07
sphingosine-1P (C18)	ME633805	1.32	1.20	1.16	0.85	0.45	0.79	1.08	1.33	1.03	1.47	1.53	1.46	1.11	0.99
FA(22:0)	ME633801	0.91	0.58	0.85	1.79	1.08	0.68	0.85	0.97	1.05	0.99	1.01	1.34	0.58	0.71
gamma-glutamylleucine	ME633777	0.42	9.43	0.45	0.60	0.04	0.53	0.41	0.53	0.35	0.55	0.41	0.46	0.36	0.45
cis-aconitate	ME633750	0.95	0.96	0.90	0.93	0.58	1.55	0.97	1.18	1.15	1.03	0.98	0.96	0.76	0.84
taurochenodeoxycholate	ME633822	1.15	0.61	1.13	1.40	0.00	0.68	1.48	1.09	1.51	1.17	1.71	0.99	1.66	0.63
hippurate	ME633752	0.86	6.22	0.62	0.85	0.34	0.54	0.61	0.27	0.62	0.59	0.74	0.62	1.16	0.60
beta-muricholate	ME633812	1.51	0.55	1.32	1.45	0.12	0.28	1.91	0.29	1.60	1.27	1.37	0.26	0.63	0.91
FA(12:0)	ME633761	0.77	0.72	1.77	2.52	0.49	0.82	0.88	0.67	0.96	0.63	0.60	0.58	0.67	0.83
2-hydroxybutyrate	ME633724	1.00	0.83	0.75	2.80	0.44	0.83	0.63	0.69	0.77	0.60	0.58	0.65	0.66	0.80
FA(16:0)	ME633776	1.16	0.73	1.09	2.96	0.33	0.69	0.97	0.56	0.98	0.65	0.73	0.87	0.89	0.78
FA(17:0)	ME633780	0.70	0.94	0.95	2.73	0.72	1.04	0.66	0.84	0.71	0.84	0.53	1.15	0.47	1.32
FA(16:0-OH)	ME633781	0.96	0.64	0.94	2.81	0.23	0.86	1.09	0.75	1.06	0.79	0.68	0.71	0.64	1.10
aspartate	ME633734	1.16	0.95	0.85	1.62	0.07	0.94	1.20	0.84	1.25	1.05	0.92	0.70	0.87	0.78
FA(24:0)	ME633804	0.81	0.46	0.95	1.87	0.43	0.83	0.65	1.08	0.75	1.17	0.90	1.83	0.56	0.69
FA(19:1)	ME633789	0.47	1.14	0.56	3.83	0.23	0.61	0.50	0.52	0.53	0.46	0.39	0.51	0.39	0.89
deoxycholate	ME633809	0.94	0.31	1.42	1.15	0.41	0.10	3.22	0.35	2.83	0.69	0.93	0.42	0.61	0.52
tauroursodeoxycholate	ME633821	0.87	0.40	1.21	1.05	0.00	0.27	2.47	1.45	1.70	0.78	1.00	1.47	0.83	0.51
FA(14:0-OH)	ME633774	0.82	0.83	1.08	1.69	0.24	1.01	1.05	0.86	1.08	0.86	0.69	0.72	0.61	1.41
deoxycytidine	ME633770	0.59	1.11	0.90	1.15	1.77	0.79	0.65	1.31	0.75	1.22	0.82	1.29	0.64	1.19
alpha-N-phenylacetylglutamine	ME633779	0.72	1.13	0.90	1.28	NA	1.04	1.10	0.81	0.88	1.07	0.89	1.07	0.93	0.89
kynurenate	ME633758	0.71	0.87	1.08	1.47	1.67	1.03	0.66	1.02	0.72	0.76	0.54	1.04	0.67	1.26
omega-muricholate	ME633813	1.53	0.57	1.26	1.44	0.11	0.20	1.97	0.32	1.58	1.28	1.38	0.30	0.70	0.93
FA(12:0-OH)	ME633767	0.89	0.71	1.21	1.44	0.27	1.13	1.20	0.72	1.37	0.74	0.80	0.61	0.79	1.20
FA(8:0-COOH)	ME633751	0.77	0.69	1.91	1.64	1.14	0.89	0.66	0.62	0.73	0.79	0.75	0.68	0.67	0.71
FA(18:1)	ME633785	0.61	1.27	0.65	4.19	0.30	0.63	0.45	0.60	0.52	0.55	0.32	0.59	0.39	1.23
tauro-beta-muricholate	ME633827	0.71	2.12	1.12	1.21	NA	0.39	0.95	0.92	0.57	0.97	0.84	0.93	0.71	1.58
N-methylaspartate	ME633739	1.16	1.06	0.88	1.14	0.27	0.52	0.73	1.03	0.72	1.09	1.35	1.30	1.66	1.13
FA(18:2)	ME633784	0.77	1.54	0.83	3.06	0.22	0.72	0.70	0.72	0.89	0.68	0.59	0.72	0.63	1.36
glutamate	ME633740	1.26	0.97	0.84	1.57	0.59	0.98	1.03	0.68	1.11	0.80	1.19	0.63	1.00	0.73
ketoleucine	ME633732	0.49	0.48	0.73	0.55	10.94	0.24	0.49	0.42	0.47	0.43	0.55	0.33	0.72	0.36
FA(14:2)	ME633768	0.76	0.71	0.93	2.66	0.09	0.81	1.02	0.69	1.26	0.75	0.55	0.47	0.51	0.78
FA(22:5)	ME633798	0.33	2.23	0.90	2.64	0.10	0.62	0.18	0.86	0.18	0.80	0.42	0.99	0.36	1.76
phenylacetate	ME633736	0.60	1.32	1.12	0.93	0.32	1.11	0.47	1.31	0.49	1.18	0.62	1.75	0.74	1.83
FA(15:0)	ME633772	0.74	0.88	1.12	1.88	1.28	1.41	0.92	0.85	0.84	0.77	0.64	0.99	0.72	1.04
FA(12:1)	ME633760	0.75	0.51	0.94	2.97	NA	0.37	0.86	0.61	1.09	0.58	0.44	0.38	0.56	0.86
FA(9:0-COOH)	ME633756	0.77	0.75	1.48	1.83	0.80	0.95	0.98	0.64	1.02	0.85	0.94	0.77	0.81	0.83
FA(18:0)	ME633787	0.76	0.81	0.81	3.20	0.86	0.89	0.73	0.65	0.75	0.74	0.77	0.78	0.64	0.78
gamma-glutamylisoleucine	ME633778	1.09	1.13	1.00	1.61	0.17	0.79	0.97	1.08	0.92	1.00	1.01	0.84	0.90	0.72
FA(18:4)	ME633782	0.52	0.69	0.43	4.97	0.09	0.20	0.50	0.22	0.63	0.18	0.32	0.24	0.39	0.60
alpha-muricholate	ME633811	1.76	0.49	1.21	1.50	0.18	0.13	2.18	0.26	1.80	0.93	1.39	0.26	0.75	0.75
FA(22:3)	ME633800	0.30	1.50	0.58	4.10	0.10	0.45	0.38	0.60	0.47	0.52	0.25	0.41	0.25	0.86
ursodeoxycholate	ME633806	0.86	0.16	2.04	1.09	0.65	0.17	2.62	0.57	2.26	0.79	0.48	0.52	0.73	0.55
taurodeoxycholate	ME633823	1.04	0.76	1.06	1.33	0.00	0.65	1.39	1.03	1.39	1.11	1.46	0.94	1.59	0.60
glutarate	ME633733	0.78	0.82	1.14	1.19	0.02	0.97	0.83	1.29	1.02	1.41	0.72	1.12	0.79	1.39
FA(20:5(5Z,8Z,11Z,14Z,17Z)))	ME633791	1.04	1.52	1.05	2.58	0.04	0.64	0.95	0.74	0.94	0.54	0.68	0.87	0.78	1.51
urate	ME633748	1.01	0.83	0.92	1.39	0.15	0.98	1.17	0.64	1.17	0.93	1.26	0.77	1.15	1.08
taurohyocoholate	ME633824	1.21	1.15	1.12	1.44	0.00	0.55	1.12	1.19	1.06	1.45	1.38	1.31	0.91	1.36
glycohyocholate	ME633819	1.47	1.15	1.23	1.28	NA	0.56	0.92	0.60	0.79	0.96	1.53	0.35	1.62	1.07
FA(20:0)	ME633796	0.82	0.84	1.11	2.26	0.88	0.85	0.79	0.85	0.91	0.98	0.90	1.30	0.66	0.97
FA(20:4)	ME633792	0.93	1.46	0.97	2.33	0.19	0.81	0.97	0.91	1.21	0.87	0.77	0.77	0.67	1.33
m-hydroxybenzoate	ME633737	0.86	1.15	1.05	1.96	0.39	0.71	0.54	1.06	0.54	0.95	0.62	1.12	0.82	1.11
taurine	ME633730	0.92	1.04	0.96	1.56	1.09	1.11	0.99	1.25	1.08	1.04	0.90	1.36	0.83	0.98
FA(20:1)	ME633795	0.64	1.18	0.76	3.93	0.22	0.52	0.70	0.59	0.71	0.54	0.44	0.56	0.44	0.96
citramalate	ME633741	0.53	0.63	0.86	1.32	NA	1.85	0.44	1.00	0.54	0.90	0.62	1.64	0.68	1.47
FA(14:1)	ME633769	0.87	0.60	0.88	2.85	0.11	0.69	1.10	0.54	1.44	0.65	0.57	0.37	0.53	0.70
tauro-alpha-muricholate + tauro-beta-muricholiate	ME633826	0.74	2.05	1.17	1.25	NA	0.33	0.98	0.44	0.59	1.37	0.87	0.81	0.74	1.65

Factors:

F1	Group:Control \| Timepoint:8 weeks of training or control time \| Sex:Female
F2	Group:Control \| Timepoint:8 weeks of training or control time \| Sex:Male
F3	Group:QC-DriftCorrection \| Timepoint:0 hour \| Sex:-
F4	Group:QC-Pooled \| Timepoint:0 hour \| Sex:-
F5	Group:QC-ReCAS \| Timepoint:0 hour \| Sex:-
F6	Group:QC-Reference \| Timepoint:0 hour \| Sex:-
F7	Group:Training \| Timepoint:1 week of training or control time \| Sex:Female
F8	Group:Training \| Timepoint:1 week of training or control time \| Sex:Male
F9	Group:Training \| Timepoint:2 weeks of training \| Sex:Female
F10	Group:Training \| Timepoint:2 weeks of training \| Sex:Male
F11	Group:Training \| Timepoint:4 weeks of training \| Sex:Female
F12	Group:Training \| Timepoint:4 weeks of training \| Sex:Male
F13	Group:Training \| Timepoint:8 weeks of training or control time \| Sex:Female
F14	Group:Training \| Timepoint:8 weeks of training or control time \| Sex:Male

Data matrix