Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002693)

Reversed phase NEGATIVE ION MODE (Analysis AN004366)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14
ursodeoxycholate	ME636399	0.31	0.14	0.75	0.72	9.11	0.26	1.18	0.42	1.54	0.53	0.35	0.34	0.32	0.25
chenodeoxycholate	ME636398	0.87	0.14	0.74	0.79	6.48	0.88	0.90	0.17	1.57	0.46	1.11	0.15	0.67	0.41
alpha-muricholate	ME636404	0.70	0.65	0.69	0.80	5.24	1.42	0.50	0.38	0.34	0.62	1.00	0.41	0.72	1.33
FA(18:4)	ME636373	0.80	0.42	0.67	0.79	6.13	0.98	0.95	0.39	0.74	0.40	0.98	0.48	0.90	0.64
omega-muricholate	ME636403	0.58	0.41	0.65	0.74	6.29	1.49	0.52	0.29	0.44	0.82	0.97	0.28	0.51	0.99
xanthosine	ME636377	0.42	0.66	0.79	0.80	3.12	2.60	0.50	0.54	0.74	0.61	0.51	0.70	0.47	1.12
beta-muricholate	ME636402	1.18	0.07	0.70	0.73	4.16	1.64	1.30	0.06	1.35	0.71	1.69	0.02	0.59	0.21
cholate	ME636401	1.19	0.08	0.71	0.74	4.16	1.62	1.30	0.07	1.35	0.71	1.69	0.02	0.60	0.21
glycochenodeoxycholate	ME636406	1.41	0.51	0.98	0.93	2.70	0.84	1.13	0.49	0.95	0.62	1.17	0.41	1.42	0.87
FA(14:1)	ME636362	1.04	0.68	0.90	1.04	3.91	0.90	1.33	0.67	1.41	0.73	1.20	0.55	0.79	1.15
FA(20:5(5Z,8Z,11Z,14Z,17Z)))	ME636382	1.10	0.84	0.85	0.96	3.60	1.67	1.02	0.68	0.70	0.58	1.02	0.86	1.05	0.89
phenyllactate	ME636339	0.44	1.06	1.06	1.13	0.34	0.23	0.33	3.08	0.50	1.40	0.32	0.45	0.57	3.26
succinate	ME636325	0.26	1.15	0.95	0.97	1.50	1.92	0.30	1.02	0.31	1.23	0.26	1.00	0.35	2.36
AMP	ME636393	0.42	1.19	0.86	0.87	1.15	2.61	0.34	0.72	0.37	0.96	0.45	0.78	0.46	1.94
urate	ME636340	0.30	0.92	0.75	0.75	1.90	2.92	0.33	0.76	0.37	0.76	0.29	0.75	0.36	2.01
FA(10:0-OH)	ME636350	0.10	1.79	0.99	0.98	0.18	1.45	0.17	1.31	0.15	1.69	0.15	1.30	0.25	3.05
FA(8:0-OH)	ME636336	0.19	1.23	1.07	0.99	0.34	1.41	0.24	1.28	0.27	1.54	0.27	1.18	0.33	3.20
FA(12:0-OH)	ME636360	0.16	2.02	1.08	1.05	0.18	1.63	0.23	1.22	0.21	1.59	0.19	1.20	0.24	2.39
FA(14:0-OH)	ME636366	0.40	1.82	1.22	1.19	0.47	1.87	0.48	1.20	0.49	1.45	0.43	1.14	0.49	1.94
glutarate	ME636330	0.89	0.95	1.04	1.15	1.39	0.20	0.83	0.48	1.33	0.90	0.71	1.16	1.03	2.37
kynurenate	ME636351	0.68	1.06	0.99	0.98	0.73	0.25	0.65	0.44	1.05	0.74	0.63	0.99	1.49	3.72
glycocholate	ME636407	1.72	0.83	0.99	1.05	1.34	0.51	1.42	0.24	0.96	0.55	1.62	0.11	2.01	1.03
glycohyocholate	ME636408	1.72	0.82	1.01	1.08	1.33	0.49	1.41	0.24	0.97	0.55	1.62	0.11	2.00	1.03
FA(10:0-COOH)	ME636355	0.79	0.88	1.83	1.91	1.06	1.08	0.79	0.90	0.81	0.83	0.76	0.63	0.75	1.06
FA(8:0-COOH)	ME636344	0.73	0.92	1.87	1.76	0.92	0.84	0.67	0.81	0.81	0.96	0.78	0.87	0.75	1.27
FA(11:0-COOH)	ME636359	0.69	0.84	2.50	2.50	0.45	0.85	0.79	0.74	0.69	0.70	0.79	0.65	0.73	0.79
FA(9:0-COOH)	ME636349	0.62	0.86	2.71	2.80	0.92	0.82	0.68	0.63	0.61	0.72	0.70	0.60	0.62	0.69
glycodeoxycholate	ME636405	0.59	1.28	1.08	1.01	2.79	0.74	0.81	0.81	0.64	0.89	0.78	0.44	0.72	1.88
FA(12:0)	ME636354	0.47	1.26	1.29	1.43	2.35	1.80	0.60	1.13	0.61	1.15	0.47	0.75	0.44	1.34
threonine	ME636326	0.52	0.71	1.06	1.06	1.86	1.90	0.64	0.67	0.73	0.88	0.73	0.77	0.72	1.33
uridine	ME636365	0.59	1.05	0.89	0.89	1.88	1.49	0.64	0.84	0.70	0.88	0.55	0.79	0.68	2.08
3-methyl-2-oxovalerate	ME636328	0.69	1.01	0.98	0.91	0.22	1.77	0.69	0.83	0.98	0.97	0.71	0.87	0.89	1.88
ketoleucine	ME636329	0.69	0.96	0.96	0.92	0.26	1.75	0.62	0.83	0.83	0.93	0.65	0.86	0.84	2.32
FA(24:1)	ME636394	0.87	1.01	1.13	1.15	0.32	0.83	1.15	1.19	0.93	1.20	0.80	1.65	1.08	2.16
sphingosine-1P (C18)	ME636396	0.88	1.26	0.91	0.96	0.65	0.93	0.94	1.13	0.99	1.25	0.97	1.23	1.12	1.92
retinoate	ME636381	0.61	1.09	1.15	1.36	1.26	0.86	0.85	1.90	1.08	0.99	1.43	0.80	0.73	1.06
hippurate	ME636345	0.87	0.86	1.00	0.91	1.35	1.45	0.51	0.28	0.82	0.81	0.88	0.76	1.47	1.80
aspartate	ME636331	0.74	1.12	0.99	0.95	1.68	0.66	0.78	1.01	0.79	1.43	0.68	0.94	0.94	1.61
malate	ME636332	0.77	1.08	0.85	0.80	1.43	0.65	0.84	0.97	0.92	1.14	0.69	0.84	1.15	2.26
indole lactate	ME636357	0.67	0.82	1.01	0.94	1.49	1.27	0.55	0.81	0.89	0.81	0.71	1.00	0.92	2.01
phenylalanine	ME636338	0.59	1.04	0.96	0.95	1.07	1.37	0.64	0.96	0.75	1.09	0.68	0.95	0.75	2.02
citrate	ME636353	0.75	1.13	0.98	0.96	1.35	1.26	0.63	0.84	0.80	0.97	0.64	0.80	0.87	1.94
tyrosine	ME636346	0.60	1.07	0.98	0.98	1.34	1.34	0.64	0.89	0.74	1.06	0.69	0.95	0.80	1.80
histidine	ME636335	0.62	1.03	0.89	0.87	1.38	1.55	0.77	1.07	0.61	1.16	0.57	0.93	0.77	1.60
FA(14:2)	ME636361	0.69	0.79	0.95	1.05	1.14	1.38	0.90	0.96	0.90	1.06	0.70	0.84	0.87	1.62
glutamine	ME636333	0.69	1.12	0.97	0.96	0.82	1.45	0.76	1.05	0.74	1.12	0.69	1.00	0.73	1.60
indoleacrylate	ME636348	0.65	0.97	0.89	0.99	0.90	1.77	0.66	0.89	0.78	0.94	0.65	1.02	0.70	1.81
tryptophan	ME636356	0.61	0.94	0.94	0.94	0.99	1.62	0.67	0.93	0.79	1.06	0.72	0.90	0.78	1.78
N-acetylleucine	ME636342	0.91	0.85	0.95	0.94	0.87	1.09	0.81	0.79	0.87	1.00	0.90	0.82	1.10	2.05
N-acetylphenylalanine	ME636358	0.85	0.74	1.03	0.95	0.98	1.17	0.75	0.75	0.89	0.96	1.10	0.93	0.93	1.83
glutamate	ME636334	0.90	1.04	1.07	1.05	1.40	1.35	0.96	0.87	1.07	1.15	0.86	0.96	1.07	1.63
gamma-glutamylleucine	ME636370	0.92	0.98	1.00	1.04	1.13	1.17	0.86	0.90	0.97	0.97	0.87	0.79	0.98	1.35
hydroxyphenyllactic acid	ME636347	0.81	0.83	0.95	0.92	1.39	1.34	0.85	0.71	1.12	0.80	0.93	0.79	1.07	1.39
FA(22:3)	ME636391	0.74	1.22	1.04	1.01	1.19	0.96	0.90	1.01	0.85	1.08	0.73	0.85	0.83	1.61
hydroxyindole acetate	ME636352	1.10	1.17	0.98	1.03	1.18	0.82	1.01	0.82	1.11	0.85	0.88	0.83	0.80	1.59
cis-aconitate	ME636343	0.92	1.14	0.99	1.06	0.98	1.08	0.84	0.68	0.97	0.78	0.85	0.94	1.15	1.59
gamma-glutamylisoleucine	ME636369	0.94	0.98	1.01	1.02	0.82	0.94	0.84	0.89	1.16	0.93	0.97	0.82	0.92	1.75
FA(20:0)	ME636387	0.87	1.03	1.50	1.37	1.56	0.74	1.23	0.84	0.99	1.15	0.85	0.87	1.06	1.45
FA(14:0)	ME636363	1.01	0.86	0.96	1.08	2.33	1.15	1.28	0.91	1.25	1.04	1.08	0.73	1.02	1.07
FA(16:1)	ME636367	1.25	0.90	0.85	1.13	2.07	1.16	1.42	1.07	1.27	1.06	1.14	0.79	1.02	0.72
maleate	ME636324	0.98	0.78	0.76	0.75	1.28	1.71	1.28	0.83	1.34	0.88	0.87	0.55	1.10	0.65
FA(16:0-COOH)	ME636379	1.11	0.72	1.12	1.17	1.47	1.82	1.10	0.75	1.02	0.79	0.88	0.71	1.00	1.06
lactate	ME636320	0.88	0.75	1.03	1.02	1.92	1.72	1.09	0.85	1.06	0.81	0.86	0.65	0.99	0.88
deoxycholate	ME636400	0.70	0.58	0.93	0.94	1.36	1.36	1.34	0.63	1.39	0.86	1.07	0.79	0.83	1.12
hyodeoxycholate	ME636397	0.67	0.84	0.96	1.09	1.22	1.33	1.17	0.78	1.13	1.02	0.75	0.97	0.79	1.17
FA(19:1)	ME636380	0.92	0.96	1.08	1.06	1.93	1.28	1.22	1.05	1.07	1.10	0.89	0.87	0.99	1.13
FA(20:2)	ME636385	0.88	1.10	1.08	1.07	1.75	1.46	1.09	1.12	0.94	1.11	0.85	0.94	0.93	1.11
FA(17:0)	ME636371	0.84	0.91	1.11	1.09	2.28	1.42	1.04	1.03	0.97	1.04	0.80	0.95	0.88	1.12
FA(20:3)	ME636384	0.92	1.11	0.97	0.98	2.10	1.61	1.12	1.02	0.93	1.07	0.85	0.76	0.92	1.12
FA(20:1)	ME636386	0.99	1.03	1.21	1.16	1.10	1.20	1.10	1.10	1.00	1.07	0.98	1.12	1.12	1.18
FA(18:0)	ME636378	0.92	1.04	1.17	1.13	1.55	1.26	1.06	1.04	0.97	1.07	0.92	1.00	0.98	1.19
FA(16:0)	ME636368	1.02	0.98	1.15	1.15	1.52	1.17	1.18	1.08	1.05	1.11	0.99	0.96	1.00	1.03
FA(18:1)	ME636376	1.04	1.01	1.18	1.17	1.37	1.15	1.20	1.08	1.09	1.11	1.01	0.97	1.04	1.03
FA(15:0)	ME636364	0.85	0.91	1.07	1.19	1.46	1.26	1.11	1.04	1.40	1.17	0.96	0.78	0.91	1.33
FA(18:3)	ME636374	1.04	0.95	0.94	1.08	1.47	1.43	1.26	0.93	1.13	1.01	1.15	0.82	1.09	1.18
FA(22:5)	ME636389	1.00	1.03	0.99	0.99	1.51	1.32	1.32	0.98	1.22	1.09	1.03	0.79	1.09	1.15
serine	ME636323	0.84	1.16	0.90	0.89	1.07	1.64	0.90	1.40	0.76	1.59	0.74	1.27	0.83	0.85
FA(10:0)	ME636341	1.08	1.06	0.91	1.03	1.00	0.97	1.11	1.11	1.05	0.91	0.98	0.95	1.03	0.88
FA(22:4)	ME636390	0.92	1.27	1.10	1.10	0.94	1.36	0.96	1.17	0.96	1.14	0.92	1.05	0.99	1.44
taurine	ME636327	1.00	1.24	1.01	1.01	0.86	1.38	1.01	1.25	0.99	1.34	0.94	1.13	1.03	1.14
FA(22:6(4Z,7Z,10Z,16Z,19Z))	ME636388	1.16	1.03	0.97	1.04	0.90	1.41	1.12	1.08	1.05	1.01	1.21	1.12	1.19	1.08
FA(18:2)	ME636375	1.10	1.05	0.98	1.02	0.69	1.36	1.28	1.17	1.16	1.18	1.10	1.05	1.09	1.08
FA(20:4)	ME636383	1.06	1.22	0.96	1.02	0.69	1.49	1.16	1.16	1.08	1.15	1.02	0.99	1.04	1.24
FA(16:0-OH)	ME636372	1.23	0.95	1.05	1.13	0.67	1.05	1.27	0.91	1.35	0.95	1.00	0.93	1.12	1.47
FA(22:0)	ME636392	1.10	1.20	1.19	1.26	0.67	0.84	1.41	1.06	1.02	1.09	0.81	1.43	1.06	1.29
tauro-alpha-muricholate	ME636412	1.63	0.67	1.00	1.03	0.29	0.66	1.23	0.47	1.19	0.75	2.09	0.67	1.28	1.11
tauro-beta-muricholate	ME636409	1.19	1.29	0.99	0.98	0.08	1.01	0.66	0.65	0.50	1.31	1.58	1.07	0.47	2.02
tauro-alpha-muricholate + tauro-beta-muricholiate	ME636410	1.33	1.06	1.00	0.99	0.16	0.87	0.88	0.61	0.78	1.11	1.73	0.94	0.76	1.69
taurohyocoholate	ME636411	1.33	1.06	1.00	0.99	0.16	0.87	0.88	0.61	0.78	1.11	1.74	0.94	0.76	1.69
FA(24:0)	ME636395	1.22	0.89	1.15	1.14	0.63	0.59	2.28	0.94	0.95	0.88	0.77	1.39	0.98	1.76
S-allylcysteine	ME636337	1.10	0.94	1.11	1.11	0.15	0.16	1.49	0.72	1.76	1.14	1.34	0.54	1.60	1.13
2-hydroxybutyrate	ME636321	1.11	0.90	1.08	1.05	0.56	1.01	1.45	0.79	1.74	0.92	1.04	0.68	0.75	0.79
3-hydroxybutyrate	ME636322	1.32	0.49	1.06	1.06	0.68	0.87	1.44	0.51	2.20	0.65	1.05	0.60	1.27	0.79

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