Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003024)

HILIC POSITIVE ION MODE (Analysis AN004958)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20	F21	F22	F23	F24	F25	F26	F27	F28	F29	F30	F31	F32	F33	F34	F35	F36	F37	F38	F39	F40
1-dimethylarsinoyl-heptadecane	ME779708	1.12	0.94	0.94	1.14	1.04	1.03	1.03	0.94	1.14	1.03	1.02	0.90	0.79	0.49	0.95	0.93	0.98	1.01	0.91	0.96	1.01	1.01	0.72	0.94	0.99	0.98	0.98	1.03	0.93	1.06	1.00	0.95	0.90	1.07	0.91	1.09	1.00	0.94	0.88	1.24
2-carboxy-L-xylonolactone	ME779931	1.49	1.31	1.19	1.34	1.37	1.32	1.39	1.19	1.15	1.44	0.91	0.90	0.75	0.66	1.44	1.13	0.95	1.31	0.87	1.11	1.16	1.10	0.81	1.37	1.26	1.14	1.43	1.24	1.16	0.91	0.80	0.78	0.86	0.86	0.75	0.82	1.22	0.80	1.14	1.01
3-Amino-2-piperidone_2	ME779682	1.91	1.51	1.43	1.88	1.24	1.50	2.07	1.01	1.35	1.60	0.68	0.65	0.74	0.83	1.29	1.09	0.86	0.94	0.69	0.90	0.91	0.88	0.66	1.22	1.55	1.36	1.01	1.13	1.76	0.73	0.67	0.54	1.05	0.74	0.57	0.73	0.52	0.64	1.41	1.07
2,3-diacetamido-2,3-dideoxy--D-mannuronate	ME779874	0.89	0.90	0.92	0.93	1.03	1.01	0.81	1.28	1.01	0.85	1.09	1.21	1.19	0.94	0.89	0.91	0.92	0.93	0.97	0.92	1.04	1.05	1.17	0.93	0.99	0.96	1.00	1.00	0.73	1.15	1.12	1.24	1.16	0.95	0.89	1.00	0.92	1.02	0.91	1.11
2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic acid	ME779629	0.88	1.16	1.03	0.97	0.94	0.94	1.05	0.98	1.05	1.04	1.08	1.06	1.01	1.00	1.02	1.03	0.92	1.12	0.96	0.94	1.04	1.03	0.88	1.03	1.05	0.92	0.96	1.02	0.99	1.03	1.00	1.09	1.03	0.98	0.93	0.98	0.97	0.99	0.95	1.00
2-amino-4-cyano-butanoic acid	ME779810	0.64	1.20	1.20	0.73	1.21	1.23	0.73	0.76	1.19	0.86	0.74	0.72	1.13	0.94	1.35	1.41	1.66	0.98	1.71	0.73	0.72	1.47	1.19	1.47	1.74	1.53	1.18	1.54	0.87	0.51	0.47	0.64	0.79	1.54	1.12	0.81	1.17	0.94	1.33	1.22
1-dimethylarsinoyl-pentadecane	ME779718	1.06	0.84	0.82	1.02	0.91	0.89	0.93	1.01	0.85	0.94	0.89	0.91	0.74	0.63	0.90	0.81	0.89	0.94	0.85	0.88	0.94	0.84	0.72	0.88	0.85	0.84	0.92	0.91	0.83	0.95	0.90	0.84	0.83	0.92	0.80	0.83	0.87	0.84	0.75	2.12
2-{[1-(R)-Carboxyethyl]amino}pentanoate	ME779790	0.81	1.18	1.06	0.90	1.21	1.28	0.94	0.84	1.30	0.97	0.78	0.73	1.31	1.06	1.17	1.07	1.20	1.06	1.30	0.83	0.77	1.20	1.21	1.13	1.23	1.23	1.01	1.31	0.94	0.81	0.79	0.98	1.19	1.28	1.19	1.29	1.13	1.22	1.22	1.17
3-Amino-2-piperidone_1	ME779659	0.31	0.22	1.25	0.30	0.20	1.48	0.25	0.66	0.35	0.19	1.11	1.29	1.42	1.42	2.65	2.72	1.34	1.01	0.90	1.19	1.14	1.03	1.42	2.22	3.42	1.96	0.80	0.78	0.20	1.07	1.44	1.85	1.33	0.39	0.50	0.61	0.25	0.71	0.22	1.39
15-dimethylarsinoyl pentadecanoic acid	ME779642	1.03	0.90	0.94	1.08	1.04	0.99	0.84	1.09	1.05	1.00	1.15	1.10	1.04	0.85	0.87	0.90	0.91	0.93	0.97	0.97	1.09	1.00	0.94	1.00	0.97	0.94	0.99	1.08	0.85	1.10	1.03	1.07	1.02	1.08	0.96	1.03	0.96	1.01	0.97	1.05
1-Hexylglycerol	ME779707	0.02	0.76	1.07	0.02	1.55	2.25	0.03	0.02	0.02	0.03	1.28	1.36	1.55	1.13	1.26	1.25	1.39	1.16	1.33	2.27	2.63	2.84	2.39	2.46	2.56	2.53	2.26	2.47	0.02	0.02	0.02	0.02	0.48	0.02	0.02	0.02	0.02	0.02	0.02	1.37
1,2-Benzisothiazol-3(2H)-one	ME779768	1.01	0.97	1.02	1.01	1.02	1.00	0.99	1.01	1.00	1.03	1.01	0.98	1.00	1.02	1.02	1.01	1.00	1.02	1.00	1.00	1.00	0.99	0.96	0.99	1.00	0.99	1.00	1.04	1.01	0.99	0.99	1.00	1.00	0.97	0.98	1.02	1.02	0.98	0.99	1.00
17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one	ME779726	0.68	1.15	1.06	0.61	1.16	1.23	0.93	0.72	1.19	0.83	0.55	0.48	1.47	1.25	0.99	1.04	1.24	0.90	1.28	0.49	0.47	1.13	1.29	1.07	1.25	1.33	0.96	1.24	0.96	0.54	0.47	1.10	1.27	1.15	1.10	1.19	1.05	1.17	1.27	1.07
1-Aminocyclopropanecarboxylic acid	ME779635	0.52	1.27	1.12	0.40	1.34	1.36	0.64	0.64	1.50	0.56	0.43	0.28	1.44	1.15	1.19	1.22	1.32	0.85	1.28	0.45	0.29	1.23	1.30	1.07	1.26	1.24	0.92	1.38	0.73	0.44	0.29	1.08	1.08	1.26	1.21	1.22	1.17	1.22	1.24	1.74
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	ME779804	0.99	0.89	0.77	0.95	0.91	0.98	0.81	0.89	0.89	0.86	0.80	0.85	1.08	0.74	0.78	0.75	0.88	0.95	0.86	0.79	0.90	0.90	0.82	0.93	0.94	0.93	0.92	0.86	0.75	0.89	0.86	1.05	0.93	0.93	0.73	0.86	0.87	0.84	0.90	2.15
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid	ME779732	1.06	1.40	1.21	1.10	1.31	1.34	1.19	1.02	1.14	1.11	0.67	0.78	1.06	1.23	1.30	1.33	1.11	1.13	1.13	0.89	0.87	1.13	0.93	1.21	1.39	1.33	1.21	1.16	1.16	0.64	0.48	0.77	0.98	1.16	0.91	0.78	1.17	0.76	1.39	1.31
3,6,8-Trimethylallantoin	ME779712	1.00	1.12	0.97	0.94	1.10	1.08	1.05	0.80	1.19	0.99	0.82	0.80	1.36	1.00	0.95	0.96	1.02	1.03	1.07	0.75	0.81	1.08	1.01	0.99	1.12	0.97	1.04	1.06	1.06	0.88	0.79	0.91	0.98	1.11	0.95	1.10	1.07	1.04	0.98	1.05
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid	ME779927	1.65	0.56	0.56	1.88	0.44	0.45	1.14	2.03	0.49	1.24	2.08	2.39	0.84	0.83	0.66	0.62	0.47	1.01	0.48	1.68	2.22	0.72	0.58	0.74	0.49	0.42	1.01	0.42	0.94	2.13	2.32	1.23	0.97	0.57	0.46	0.51	0.73	0.52	0.47	0.89
2-Amino-a-carboline	ME779663	0.81	0.80	0.79	0.86	0.87	0.91	0.72	1.07	0.86	0.85	1.22	1.28	1.40	1.16	0.79	0.80	0.94	0.86	1.01	1.02	1.07	1.01	1.03	0.87	0.87	0.94	0.85	0.87	0.68	1.20	1.29	1.31	1.18	0.94	0.81	0.98	0.82	1.04	0.83	1.42
3-Amino-2-piperidone	ME779837	1.15	1.43	1.44	1.16	1.53	1.65	1.23	0.98	1.33	1.18	0.55	0.49	0.76	0.49	1.39	1.38	1.30	1.33	1.08	0.79	0.78	1.30	0.68	1.43	1.61	1.48	1.35	1.58	1.22	0.40	0.34	0.41	0.73	1.09	0.72	0.67	1.42	0.55	1.54	1.16
3^-Deaminofusarochromanone	ME779786	0.96	1.18	1.11	1.04	1.26	1.24	0.98	0.99	1.13	1.01	0.84	0.79	0.96	0.85	1.08	1.06	1.08	1.09	1.07	0.88	0.87	1.16	1.03	1.11	1.25	1.18	1.11	1.25	0.94	0.59	0.52	0.52	0.76	1.03	0.85	0.81	1.15	0.73	1.16	1.05
2-Keto-3-deoxy-6-phosphogluconic acid	ME779766	0.64	0.64	0.62	0.61	0.64	0.65	0.59	0.76	0.62	0.59	2.62	2.80	2.36	1.99	0.88	0.86	1.45	0.65	1.80	1.72	1.95	2.50	2.78	0.61	0.59	0.63	0.63	0.70	0.51	0.92	0.83	0.73	0.76	0.56	0.51	0.64	0.58	0.73	0.61	0.80
3-Hydroxyhexobarbital	ME779917	1.37	1.17	1.20	1.31	1.08	1.17	1.30	0.98	1.15	1.26	0.67	0.60	0.40	0.23	1.13	1.07	0.98	1.23	0.78	1.01	1.08	0.88	0.38	1.12	1.17	1.19	1.26	1.19	1.22	0.69	0.56	0.49	0.58	1.08	1.01	0.94	1.20	0.82	1.08	1.01
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole	ME779762	1.03	1.01	0.90	1.10	1.00	1.02	0.92	0.96	1.04	1.02	1.09	1.05	1.16	0.87	0.89	0.90	0.95	0.95	0.98	0.98	1.10	1.01	0.98	1.00	1.04	0.96	1.09	0.95	0.90	1.08	1.07	0.95	1.07	0.98	0.89	1.04	0.98	1.00	0.92	1.03
2-Amino-4-methylenepentanedioic acid	ME779614	0.62	0.79	0.72	0.54	0.90	0.93	0.44	0.82	0.77	0.41	0.30	NA	0.92	0.59	0.86	0.79	0.87	0.58	0.86	NA	NA	0.82	0.75	0.80	0.85	0.88	0.61	0.86	0.52	0.26	NA	0.58	0.66	0.88	0.70	0.80	0.70	0.78	0.89	2.85
2-hydroxysuccinamate	ME779997	1.40	1.39	1.30	1.34	1.38	1.32	1.35	1.13	1.23	1.34	0.79	0.69	0.77	0.66	1.15	1.16	1.07	1.30	0.96	0.98	0.97	1.04	0.75	1.17	1.21	1.19	1.29	1.23	1.30	0.71	0.64	0.63	0.84	1.10	0.98	0.93	1.25	0.88	1.28	1.16
3,4,5-trihydroxy-6-[3-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbutoxy]oxane-2-carboxylic acid	ME779731	1.72	0.48	0.43	1.98	0.34	0.33	1.10	1.57	0.35	1.44	2.66	2.80	0.57	0.43	0.51	0.43	0.35	1.04	0.33	2.50	2.77	0.62	0.38	0.75	0.38	0.34	1.27	0.30	0.91	2.48	2.72	0.88	0.85	0.38	0.30	0.37	0.63	0.39	0.31	0.86
3-Methyluridine	ME779904	0.99	1.00	0.91	1.01	0.97	1.05	0.94	1.05	0.97	0.98	0.99	0.99	1.10	1.05	0.97	0.97	0.99	0.93	0.82	0.86	0.95	1.03	0.99	0.92	0.98	0.89	0.95	0.96	0.96	1.04	1.01	1.11	0.99	0.98	0.99	0.98	0.99	0.98	0.96	1.23
3-O-(2-O-(decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid	ME779693	1.08	1.01	1.02	0.98	0.96	1.02	1.06	0.87	1.10	1.02	1.00	0.90	0.75	0.37	1.05	1.05	1.02	1.15	1.04	0.93	1.09	0.96	0.85	1.09	1.06	1.00	0.99	1.10	1.04	1.03	0.90	0.89	0.71	1.01	1.04	1.15	1.07	1.16	0.92	1.03

Factors:

F1	treatment:BR_Cefto3g_0h
F2	treatment:BR_Cefto3g_215h
F3	treatment:BR_Cefto3g_47h
F4	treatment:BR_Cefto6g_0h
F5	treatment:BR_Cefto6g_215h
F6	treatment:BR_Cefto6g_47h
F7	treatment:BR_Control_0h
F8	treatment:BR_Control_215h
F9	treatment:BR_Control_47h
F10	treatment:M_Cefto3g_0h
F11	treatment:M_Cefto3g_143h
F12	treatment:M_Cefto3g_167h
F13	treatment:M_Cefto3g_191h
F14	treatment:M_Cefto3g_215h
F15	treatment:M_Cefto3g_23h
F16	treatment:M_Cefto3g_47h
F17	treatment:M_Cefto3g_71h
F18	treatment:M_Cefto3g_7h
F19	treatment:M_Cefto3g_95h
F20	treatment:M_Cefto6g_143h
F21	treatment:M_Cefto6g_167h
F22	treatment:M_Cefto6g_191h
F23	treatment:M_Cefto6g_215h
F24	treatment:M_Cefto6g_23h
F25	treatment:M_Cefto6g_47h
F26	treatment:M_Cefto6g_71h
F27	treatment:M_Cefto6g_7h
F28	treatment:M_Cefto6g_95h
F29	treatment:M_Control_0h
F30	treatment:M_Control_143h
F31	treatment:M_Control_167h
F32	treatment:M_Control_191h
F33	treatment:M_Control_215h
F34	treatment:M_Control_23h
F35	treatment:M_Control_47h
F36	treatment:M_Control_71h
F37	treatment:M_Control_7h
F38	treatment:M_Control_95h
F39	treatment:M_ControlWS_0h
F40	treatment:Pooled_QC

Data matrix