Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003078)

(Analysis AN005036)

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	F41	F42	F43	F44	F45	F46	F47	F48	F49	F50	F51	F52	F53	F54	F55	F56	F57	F58	F59	F60	F61	F62	F63	F64	F65	F66	F67	F68	F69	F70	F71	F72	F73	F74	F75	F76	F77	F78	F79	F80	F81	F82	F83	F84	F85	F86	F87	F88	F89	F90	F91	F92	F93	F94	F95	F96	F97
Thiamine diphosphate	ME800532	0.75	1.02	0.94	0.88	1.02	1.00	0.97	0.83	1.08	1.03	1.05	1.00	0.99	1.09	0.94	0.99	1.13	1.13	0.99	1.02	0.95	21.28	1.23	0.39	0.65	0.63	0.35	0.48	NA	0.59	0.43	0.62	0.59	0.42	0.49	0.54	0.50	0.64	0.58	0.50	0.39	0.70	0.53	0.62	0.49	0.54	0.53	0.48	1.00	0.99	1.03	1.20	1.14	1.02	0.92	0.94	1.00	0.90	0.86	0.87	0.92	1.07	0.94	0.96	1.02	1.03	1.17	1.03	1.11	1.15	1.09	1.21	1.15	0.60	0.50	0.60	0.53	0.83	0.60	0.59	0.66	0.60	0.45	0.71	0.58	0.70	0.42	0.58	0.57	0.71	0.54	0.61	0.56	0.57	0.57	0.61	0.60
Ornithine	ME800523	NA	NA	NA	0.69	0.78	NA	NA	NA	NA	0.14	NA	NA	0.23	NA	NA	0.17	NA	0.19	0.41	0.25	0.38	NA	0.66	NA	NA	NA	1.55	1.43	1.87	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.13	0.14	0.30	0.46	0.46	0.45	0.64	0.75	1.09	0.21	NA	NA	2.98	4.43	NA	0.15	0.20	0.12	0.17	0.16	NA	0.16	0.23	0.17	0.19	0.19	0.10	0.18	0.22	0.19	0.19	0.28	0.63	0.55	NA	NA	NA	4.55	6.60	5.05	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.81	0.82	1.87	3.23	3.19
Lactic acid	ME800515	NA	0.11	0.12	NA	NA	NA	NA	NA	NA	0.20	0.28	NA	0.30	0.65	0.36	0.17	1.13	0.76	0.51	0.35	NA	NA	NA	NA	0.14	0.12	NA	NA	NA	NA	NA	NA	0.36	0.34	3.34	2.63	4.31	2.25	4.00	3.16	0.21	NA	0.49	0.19	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.27	0.19	0.25	0.53	0.71	0.57	0.83	0.56	0.23	NA	NA	0.24	0.15	0.24	NA	NA	NA	NA	NA	NA	0.34	1.20	0.36	2.46	3.16	2.52	3.06	2.14	1.98	0.22	0.18	0.12	NA	NA	NA
Acetoin	ME800497	NA	NA	NA	2.05	2.03	NA	NA	0.06	0.10	0.18	0.28	0.37	0.41	0.88	0.87	0.80	1.73	1.64	2.14	2.02	1.15	2.62	2.55	NA	NA	NA	NA	NA	NA	NA	0.05	NA	0.05	0.02	0.07	NA	0.09	NA	NA	0.05	0.31	0.13	0.21	0.11	0.08	NA	0.03	NA	0.03	NA	NA	3.92	3.66	0.10	0.04	0.10	0.18	0.13	0.25	0.37	0.35	0.56	0.71	0.70	1.02	1.20	3.12	2.07	2.44	2.04	3.46	3.84	2.94	NA	NA	NA	NA	NA	NA	NA	0.05	NA	0.49	0.66	0.59	0.68	0.86	0.99	0.72	0.44	0.67	0.78	0.99	1.15	1.22	1.12	1.29
Formic acid	ME800507	0.38	0.46	0.44	NA	NA	0.31	0.38	0.35	0.26	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.99	0.92	1.06	NA	NA	NA	0.92	0.94	0.62	0.65	0.46	0.83	0.90	0.87	1.28	1.17	1.52	NA	0.72	NA	NA	NA	NA	NA	NA	0.48	0.44	0.43	0.07	0.07	0.43	0.45	0.46	0.41	0.44	0.42	0.37	0.41	0.41	0.35	0.35	0.29	0.22	NA	0.08	0.06	0.13	NA	NA	0.03	0.87	0.97	0.87	2.60	3.83	2.44	0.84	1.04	1.05	0.85	0.83	0.92	0.91	0.98	0.86	1.86	2.82	2.39	2.82	3.29	2.77	2.68	3.22	3.05
Fumaric acid	ME800509	0.47	0.27	0.29	0.50	0.57	0.78	0.51	0.50	1.38	1.81	1.56	1.85	1.45	1.01	1.09	0.78	0.59	0.65	0.38	0.42	0.32	0.42	0.44	0.31	0.24	0.26	2.80	2.60	3.09	0.48	0.85	0.72	1.94	1.92	2.66	2.51	2.98	1.14	1.82	1.11	0.68	1.05	0.90	0.90	1.11	1.36	1.24	2.12	0.26	0.23	0.23	0.41	0.45	0.29	0.29	0.35	0.32	0.31	0.44	0.44	0.52	0.74	0.69	0.78	0.90	0.69	0.37	0.41	0.44	0.61	0.33	0.26	0.26	0.20	0.24	0.20	2.42	3.20	2.66	0.40	0.42	0.40	1.02	1.27	1.12	2.01	1.95	1.95	1.71	1.17	1.43	0.96	1.11	1.15	1.27	1.18	1.69
Succinic acid	ME800530	0.37	0.47	0.47	2.43	2.52	0.47	0.49	0.47	0.53	0.48	0.55	0.53	0.70	0.11	0.66	0.47	0.72	0.90	0.89	0.76	1.34	1.43	1.30	0.45	0.44	0.51	2.66	3.07	3.26	0.48	0.51	0.57	0.48	0.46	0.55	0.53	0.65	0.96	0.99	1.02	1.02	1.37	1.52	1.59	1.88	2.03	2.16	2.77	0.40	0.47	0.44	1.11	1.86	0.44	0.47	0.38	0.45	0.38	0.52	0.44	0.41	0.39	0.56	0.48	0.62	0.72	0.71	0.72	0.76	0.64	0.87	1.20	1.27	0.43	0.47	0.43	2.86	4.01	2.91	0.41	0.47	0.48	0.45	0.55	0.50	0.55	0.56	0.53	0.86	1.12	1.07	1.39	1.54	1.51	1.83	2.03	2.33
2,3-Butanediol	ME800495	NA	NA	NA	0.96	0.90	NA	NA	NA	NA	0.22	0.45	0.38	0.54	0.86	0.74	0.60	1.30	1.29	1.45	1.09	0.78	1.66	1.70	NA	NA	NA	NA	0.24	0.11	NA	NA	NA	0.31	0.20	1.01	0.62	0.81	1.35	0.87	1.31	0.82	1.19	0.82	0.60	0.62	0.47	0.47	0.29	NA	NA	NA	1.55	1.26	NA	NA	NA	0.04	NA	NA	NA	0.04	0.09	0.37	0.30	0.43	0.95	1.91	1.19	1.72	1.42	2.26	1.83	1.02	NA	NA	NA	0.74	0.73	0.67	NA	NA	NA	0.15	0.22	0.11	1.41	1.96	1.49	2.87	2.80	2.81	1.88	2.05	1.49	1.12	0.99	1.04
Acetic acid	ME800496	0.09	0.09	0.10	1.58	1.71	0.14	0.15	0.15	0.28	0.50	0.61	0.63	0.93	0.91	1.04	1.14	1.31	1.40	1.72	1.69	1.94	1.82	1.78	0.18	0.14	0.17	1.49	1.69	1.40	0.23	0.40	0.25	0.77	0.72	1.18	1.03	1.26	1.74	1.51	1.79	1.84	2.17	2.19	1.92	1.97	1.68	1.94	1.72	0.12	0.11	0.08	1.43	1.42	0.12	0.12	0.11	0.17	0.15	0.20	0.25	0.23	0.32	0.54	0.47	0.68	0.81	1.28	1.21	1.10	1.00	1.25	1.35	1.73	0.12	0.14	0.12	1.99	2.61	1.97	0.16	0.21	0.22	0.43	0.63	0.56	0.90	0.99	0.93	1.35	1.57	1.58	1.73	1.83	1.79	1.79	1.93	2.12
Nicotinic acid	ME800522	0.26	NA	NA	1.13	1.17	0.50	0.25	0.34	0.90	1.33	1.40	1.51	1.24	1.25	1.19	1.16	1.30	1.30	1.25	1.10	1.20	1.36	1.35	0.24	NA	NA	1.08	1.12	1.00	0.32	0.59	0.34	1.32	1.33	1.25	1.23	1.25	1.03	1.08	1.18	1.10	1.25	1.15	1.06	1.14	1.05	1.14	1.14	0.17	NA	NA	1.21	1.17	0.24	0.13	0.29	0.35	0.26	0.38	0.54	0.61	0.85	1.24	1.28	1.28	1.33	1.18	1.18	1.22	1.26	1.19	1.20	1.21	NA	NA	NA	1.06	1.28	1.06	NA	0.25	0.22	0.89	1.23	1.09	1.34	1.18	1.22	1.30	1.24	1.29	1.16	1.05	1.15	1.04	1.08	1.25
Uracil	ME800537	0.93	1.09	1.08	1.14	1.29	0.67	0.79	0.62	NA	NA	NA	NA	NA	0.28	0.22	0.68	0.54	0.48	0.85	0.88	1.15	1.22	1.36	1.04	1.07	1.23	1.01	0.70	1.36	0.49	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.62	0.91	1.01	1.03	2.40	2.85	0.87	0.98	0.92	0.62	0.77	0.64	0.22	0.41	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.69	1.21	1.05	0.94	1.18	0.94	2.59	1.82	1.88	0.88	0.69	0.85	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.76	0.96	1.16
Arginine	ME800500	1.08	1.14	1.37	0.94	0.95	1.19	0.59	0.83	1.38	1.16	1.11	0.95	1.23	1.23	1.36	0.99	1.18	1.18	1.07	1.07	1.15	1.00	1.18	1.07	0.89	0.86	0.45	0.48	0.21	0.86	1.02	1.12	1.18	1.03	1.13	1.06	1.08	1.08	1.10	1.04	0.81	1.00	0.95	0.83	0.95	0.77	0.84	0.61	0.98	1.15	1.07	0.58	0.34	1.04	1.25	1.10	1.06	1.06	1.19	1.00	1.08	1.07	1.04	1.04	1.05	1.06	1.01	0.86	1.12	1.08	1.04	0.96	0.91	1.18	1.21	1.18	NA	NA	NA	0.77	1.04	0.90	1.07	1.10	1.10	1.06	1.10	1.04	1.11	1.16	1.17	1.03	0.97	1.01	0.75	0.50	0.63
Threonine	ME800533	1.14	1.27	1.23	0.74	0.80	1.13	1.21	1.21	1.28	1.15	1.17	1.52	1.04	1.17	1.18	1.11	0.74	0.93	0.72	0.96	0.82	0.54	1.06	1.28	1.11	1.25	NA	NA	NA	1.29	1.38	1.16	1.12	1.16	0.73	0.57	0.84	0.73	0.77	0.49	0.74	1.02	0.85	0.58	0.51	0.24	0.33	NA	1.37	1.29	1.23	1.09	1.01	1.23	1.30	1.29	1.16	1.24	1.20	1.10	1.24	1.33	1.18	1.22	1.17	1.00	0.87	0.91	1.00	1.13	1.07	1.05	1.00	1.03	1.13	1.03	0.21	NA	NA	1.05	1.28	1.26	1.28	0.96	1.48	0.64	0.93	0.93	0.81	0.81	0.89	0.82	0.80	0.79	0.63	0.62	0.63
Aspartic acid	ME800502	0.99	1.31	1.31	0.79	0.82	1.23	1.23	1.27	1.11	1.10	1.21	1.10	1.16	0.95	1.17	0.83	1.08	1.05	1.06	1.00	0.96	1.05	1.01	1.15	1.31	1.40	0.34	0.41	NA	1.41	1.14	1.30	1.11	1.07	0.82	1.04	0.98	0.84	0.84	0.83	0.56	0.80	0.76	0.62	0.61	0.50	0.44	0.32	1.07	1.34	1.26	0.95	0.98	1.24	1.35	1.19	1.21	1.13	1.26	1.12	1.13	1.18	1.17	1.11	1.15	1.12	1.06	1.04	1.12	1.14	1.10	1.05	1.06	1.34	1.35	1.34	0.32	0.46	0.37	1.19	1.38	1.37	0.92	1.11	1.13	1.03	0.89	1.03	0.79	0.86	0.84	0.61	0.77	0.77	0.72	0.73	0.74
Glutamic acid	ME800511	0.69	1.09	1.21	0.87	1.05	1.06	1.13	0.99	0.96	1.03	1.08	0.95	0.89	0.97	1.04	0.94	1.04	1.07	0.97	1.06	1.01	1.04	1.16	1.14	1.14	1.31	0.19	0.32	NA	1.05	1.21	1.02	0.99	1.03	0.86	1.05	0.93	0.82	0.79	0.78	0.66	0.89	0.84	0.63	0.67	0.71	0.56	0.32	1.18	1.32	1.42	1.24	1.32	1.05	0.99	0.98	0.83	1.25	1.01	0.90	1.04	1.20	1.06	1.01	0.93	1.15	1.43	1.18	1.16	1.07	1.58	1.46	1.21	1.05	1.37	1.05	NA	NA	NA	1.31	1.46	1.58	1.17	1.21	1.14	0.95	0.75	0.78	1.05	1.03	0.84	0.81	0.71	0.67	0.71	0.61	0.57
Raffinose	ME800527	0.56	0.61	0.99	0.92	0.89	0.57	0.83	1.02	1.15	0.98	1.03	1.09	1.01	0.92	0.89	0.83	0.93	0.79	0.91	0.85	0.90	3.15	1.05	0.90	0.96	1.12	0.99	1.09	1.04	1.12	0.73	1.08	1.13	1.00	0.92	0.94	1.01	0.96	0.90	1.02	0.92	1.12	1.05	0.94	1.05	0.91	1.06	0.99	0.78	1.04	0.91	0.94	0.99	0.92	1.12	1.11	0.99	1.02	1.14	0.89	0.99	1.20	0.95	1.12	1.13	1.00	0.90	0.80	1.04	0.90	0.93	0.90	0.92	1.06	1.11	1.06	0.89	1.21	1.08	0.81	1.18	1.13	0.83	1.12	1.11	1.04	0.95	0.92	0.96	0.92	1.04	1.00	1.00	0.97	0.95	1.07	1.10
Citric acid	ME800505	0.82	0.89	0.91	1.16	1.27	0.95	0.97	0.86	1.00	1.18	1.22	0.77	1.09	0.90	0.88	0.69	1.17	1.12	1.04	0.88	1.17	1.28	0.82	0.96	1.00	0.94	0.97	1.25	1.07	1.03	0.92	0.98	1.20	1.15	0.99	1.08	1.18	1.01	1.03	1.02	0.92	1.28	1.09	1.04	1.24	0.91	1.20	0.98	0.56	0.73	0.79	0.94	1.12	0.73	0.75	0.79	0.92	0.69	0.98	0.83	0.78	1.02	1.04	1.04	1.18	1.17	1.21	1.09	1.10	1.13	1.01	1.05	1.15	0.71	0.74	0.71	1.12	1.12	1.06	0.70	0.90	0.97	0.95	1.08	1.11	0.94	1.05	1.04	0.91	1.01	1.03	0.98	0.93	1.05	1.12	1.23	1.26
Methionine	ME800520	1.07	1.18	1.19	1.04	1.07	1.13	1.02	1.14	1.15	1.12	1.19	1.14	1.11	1.11	0.93	0.96	0.99	1.11	1.00	0.89	1.07	1.21	1.09	1.20	1.17	1.18	0.54	0.64	0.35	1.27	1.17	1.14	1.10	1.04	0.95	1.00	0.96	0.95	0.90	0.92	0.86	0.98	0.84	0.79	0.76	0.73	0.77	0.51	1.02	1.07	1.08	1.01	1.11	1.09	1.06	1.16	1.04	1.03	1.16	0.96	1.09	1.20	1.04	1.07	1.14	1.15	1.06	1.05	1.13	1.14	1.01	1.14	1.09	1.16	1.13	1.16	0.78	0.76	0.67	0.94	1.20	1.00	0.91	1.08	0.96	0.90	0.99	0.94	0.83	0.92	0.84	0.87	0.84	0.86	0.80	0.82	0.90
Pyroglutamic acid	ME800525	1.04	1.16	1.16	0.84	0.89	1.04	1.12	1.13	1.19	1.06	1.19	1.08	1.12	1.11	0.97	0.96	1.05	1.09	0.98	0.83	0.82	0.92	0.90	0.95	0.88	0.95	0.70	0.77	0.65	1.11	0.91	0.91	1.06	0.99	0.97	1.05	1.14	0.94	1.13	0.99	0.87	1.00	0.96	0.81	0.84	0.71	0.81	0.68	1.03	0.95	1.09	0.98	1.03	1.03	1.15	1.14	1.07	1.00	1.13	0.96	1.11	1.23	1.08	1.12	1.12	1.13	1.22	1.01	1.11	1.14	1.20	1.14	1.00	1.07	0.91	1.07	0.71	1.09	0.76	0.79	1.00	1.06	0.85	0.91	0.94	0.98	1.13	0.95	1.08	1.05	1.07	0.90	1.16	1.09	0.82	0.96	1.06
Tryptophan	ME800535	0.80	0.95	0.88	0.66	1.12	0.90	0.89	1.09	1.14	1.32	1.06	1.16	1.08	1.12	1.00	0.92	1.11	0.76	1.12	1.00	1.16	1.20	1.14	0.91	0.88	0.92	0.98	0.93	0.98	1.17	0.96	0.94	0.92	0.89	0.84	1.03	1.08	1.01	0.91	0.70	0.67	1.02	1.00	0.93	0.76	0.97	0.72	1.04	1.11	1.12	1.07	1.16	1.14	1.05	1.16	1.06	1.05	1.07	1.09	0.96	1.12	1.14	1.13	1.13	1.10	1.10	1.05	1.04	1.11	1.14	1.11	1.07	1.04	1.06	0.90	1.06	0.85	1.20	0.95	0.84	0.94	0.95	0.85	0.76	0.89	1.00	1.04	1.01	0.86	0.93	0.96	1.03	1.06	0.94	0.94	1.05	0.86
Stachyose	ME800529	0.91	0.98	0.98	0.93	1.06	0.89	0.98	0.94	1.02	0.98	0.99	1.19	0.94	0.98	1.00	0.95	1.02	1.12	0.98	1.05	0.94	0.29	1.10	1.01	1.00	1.11	1.04	1.09	1.02	1.16	1.00	1.03	1.00	0.99	0.96	0.95	0.98	1.02	0.98	1.01	0.93	1.10	1.08	0.95	0.99	0.99	1.00	1.02	0.96	1.03	0.95	1.02	1.03	0.97	1.03	1.00	0.94	0.97	0.90	0.90	0.96	1.05	0.97	0.98	1.01	0.99	1.02	0.96	0.95	1.03	0.98	1.06	0.96	1.01	1.05	1.01	1.06	1.34	1.04	0.92	1.10	1.12	0.94	1.07	1.05	1.06	0.95	0.93	0.97	1.07	1.02	0.95	0.98	0.99	0.96	1.03	1.11
Trehalose	ME800534	0.92	0.93	1.02	0.94	1.17	0.92	0.87	0.99	0.97	0.89	0.95	1.07	1.01	0.94	0.93	0.91	1.04	0.97	1.01	1.01	0.95	NA	1.10	1.01	1.01	1.03	0.98	1.09	1.01	1.04	0.94	1.02	1.00	1.00	0.94	0.99	1.06	0.95	0.92	1.02	0.94	1.09	1.01	0.92	1.02	0.95	1.06	1.00	0.93	1.04	0.99	1.00	1.04	0.92	1.07	1.04	0.97	0.98	1.00	0.91	1.05	1.07	0.98	1.02	1.02	1.00	1.00	0.90	0.98	1.08	1.04	0.98	1.01	0.94	1.06	0.94	0.96	1.32	1.07	0.91	1.09	1.10	0.93	0.97	0.98	0.97	1.07	1.04	0.93	0.97	1.00	1.05	0.99	1.03	0.94	1.05	1.16
Tyrosine	ME800536	1.00	1.15	1.20	0.90	0.95	1.05	1.21	1.09	0.94	0.92	1.03	1.23	0.84	0.91	0.94	0.98	0.96	1.05	0.80	1.19	0.92	1.27	1.08	1.19	0.98	1.20	0.84	1.03	0.89	1.26	1.04	1.15	0.85	1.01	0.89	0.95	0.84	1.02	0.84	0.97	0.78	0.92	0.72	0.81	0.89	0.80	1.01	0.92	1.13	1.11	1.12	0.88	1.00	0.97	1.03	1.08	1.01	1.07	1.09	0.96	1.10	1.08	0.92	1.02	0.99	0.98	0.99	0.92	0.91	1.04	0.94	1.11	0.91	1.04	1.00	1.04	1.04	1.16	0.93	1.02	1.24	1.29	1.02	1.10	1.01	1.01	0.94	0.85	0.97	1.05	1.04	0.82	0.90	0.81	0.92	0.96	1.07
Valine	ME800539	0.85	0.95	0.93	0.92	0.99	0.88	0.90	0.92	1.04	0.85	0.91	1.03	1.04	1.01	1.01	0.93	1.00	1.00	1.04	1.03	1.01	1.13	1.19	1.01	0.90	0.97	1.08	1.10	1.06	0.99	0.95	0.92	0.91	0.92	0.92	0.85	1.01	0.96	0.93	0.99	0.94	1.13	1.07	1.01	1.03	0.96	1.07	1.03	1.01	0.98	0.96	1.15	1.12	0.96	1.04	1.02	0.90	0.95	0.95	0.89	0.98	1.05	0.97	0.98	0.98	0.96	1.07	0.99	1.05	1.08	1.07	1.13	1.04	0.94	0.96	0.94	1.08	1.37	1.09	0.85	1.00	0.97	0.92	0.91	0.94	0.95	0.98	0.96	1.03	1.06	1.09	1.04	1.06	1.08	0.99	1.04	1.19
Leucine	ME800516	0.94	1.12	1.08	0.88	0.95	1.02	1.06	1.06	1.11	1.03	1.05	1.14	1.04	1.04	0.99	0.99	0.94	1.04	0.96	0.93	0.95	1.13	1.07	1.06	1.04	1.11	0.87	0.90	0.80	1.15	0.97	1.06	1.04	1.02	0.96	0.88	0.93	0.95	0.90	1.01	0.82	1.03	0.95	0.86	0.89	0.84	0.89	0.85	0.96	0.91	1.06	1.09	1.05	1.06	1.03	0.98	1.01	1.04	1.02	0.99	0.98	1.04	0.97	1.00	1.05	1.08	1.07	1.01	1.07	1.13	1.07	1.12	1.01	0.98	1.07	0.98	0.93	1.12	0.89	0.96	1.13	1.14	0.98	1.09	1.10	0.99	1.03	1.01	0.94	1.01	1.00	0.91	0.91	0.95	0.88	0.91	1.01
Lysine	ME800517	0.94	1.07	1.02	0.95	0.98	1.04	1.05	1.13	1.09	1.08	1.05	1.10	1.01	1.00	0.99	0.89	1.03	1.04	1.07	1.05	0.96	1.07	1.09	1.00	0.99	1.08	0.87	0.95	0.81	1.13	0.98	0.99	1.00	0.97	0.97	0.90	1.01	0.94	0.89	0.97	0.84	1.01	1.02	0.85	0.86	0.87	0.93	0.87	1.04	1.15	1.11	1.01	1.02	0.96	1.12	1.11	1.04	1.06	1.10	0.92	1.07	1.12	1.05	1.06	1.08	1.04	1.05	1.02	1.03	1.07	0.97	1.07	0.95	0.99	0.98	0.99	0.88	1.11	0.94	0.91	1.12	1.05	0.97	1.03	1.01	0.94	0.90	0.91	0.93	0.96	0.94	0.98	1.05	0.97	0.89	0.91	1.02
Isoleucine	ME800513	0.92	1.08	1.06	0.85	1.10	0.95	1.04	0.99	1.05	0.98	1.00	1.23	0.87	1.01	1.01	0.95	0.94	1.01	0.95	0.93	0.89	0.98	1.17	0.98	1.02	1.00	0.91	0.97	0.85	1.16	0.95	1.03	0.92	0.96	0.94	1.05	0.88	0.96	0.94	1.03	0.84	1.14	1.02	0.88	0.95	0.90	0.94	0.89	1.10	1.04	0.99	1.18	0.97	1.03	1.08	1.06	0.94	1.00	1.02	0.92	1.04	1.10	1.00	0.99	0.99	0.96	1.02	0.98	0.99	1.04	1.01	1.08	0.96	1.00	1.06	1.00	1.05	1.08	1.02	0.94	1.11	1.13	0.94	1.04	1.04	0.94	0.94	0.92	1.03	1.09	1.07	0.95	1.02	1.04	0.99	0.99	1.11
Phenylalanine	ME800524	0.94	1.02	1.05	0.92	0.98	0.97	0.97	1.01	1.06	0.95	0.98	1.00	0.97	0.95	1.01	0.95	1.01	1.04	1.01	1.02	0.89	1.11	1.09	1.00	1.01	1.11	0.95	1.05	0.95	1.14	1.02	1.02	1.01	0.98	0.91	0.93	1.02	0.95	0.94	0.98	0.95	1.06	1.07	0.94	0.97	0.93	0.98	0.96	0.98	1.03	1.00	1.11	1.05	0.91	1.05	0.97	0.97	1.01	1.02	0.92	1.01	1.08	0.98	1.02	1.02	0.99	0.99	0.94	1.03	1.09	1.02	1.08	1.03	1.02	1.04	1.02	0.91	1.24	1.00	0.88	1.04	1.05	0.90	1.01	1.02	0.94	0.96	0.96	1.00	1.04	1.05	0.96	0.99	1.00	0.92	0.98	1.09
Mannose	ME800518	0.55	0.78	0.69	NA	NA	0.73	0.92	0.84	0.95	0.66	0.81	0.80	0.83	0.94	0.88	0.62	0.90	0.91	0.75	0.77	0.60	NA	NA	1.34	1.02	1.39	NA	NA	NA	1.60	1.16	1.45	1.39	1.56	1.44	1.54	1.62	0.42	0.93	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.58	0.83	0.69	0.46	0.15	0.71	0.92	0.77	0.77	0.80	0.82	0.73	0.66	0.95	0.73	0.78	0.82	0.82	0.81	0.77	1.00	0.90	0.97	0.88	0.85	1.44	1.07	1.44	NA	NA	NA	1.10	1.62	1.48	1.41	1.61	1.63	1.46	1.58	1.52	1.27	1.13	1.31	NA	NA	NA	NA	NA	NA
Alanine	ME800499	1.21	1.48	1.41	0.42	0.49	1.25	1.32	1.28	1.37	1.14	1.16	1.41	0.97	1.04	1.03	0.85	0.88	0.91	0.75	0.75	0.60	0.66	0.73	1.42	1.33	1.44	NA	NA	NA	1.44	1.28	1.23	1.13	1.08	0.79	0.80	0.82	0.57	0.62	0.61	0.29	0.46	0.36	0.12	NA	NA	NA	NA	1.45	1.39	1.38	0.77	0.65	1.35	1.45	1.43	1.27	1.36	1.35	1.18	1.26	1.39	1.20	1.27	1.15	1.08	0.91	0.86	0.99	1.08	0.88	0.82	0.75	1.35	1.31	1.35	NA	NA	0.11	1.15	1.40	1.35	1.12	1.21	1.15	1.02	0.93	0.96	0.85	0.79	0.84	0.59	0.42	0.40	0.15	NA	NA
Choline	ME800504	1.26	1.43	1.24	0.78	0.94	1.38	1.12	1.10	1.28	1.04	0.92	1.21	0.73	0.89	0.75	0.77	1.05	0.87	0.85	0.83	0.71	1.01	1.17	1.23	0.94	1.19	NA	NA	NA	1.42	1.36	1.38	1.24	1.16	1.00	0.86	0.86	0.43	0.61	0.51	NA	NA	NA	NA	NA	NA	NA	NA	1.28	1.26	1.19	1.15	1.19	1.22	1.28	1.09	1.09	1.18	1.17	0.97	1.10	1.11	0.69	0.90	0.74	0.69	0.99	0.75	0.74	0.81	0.94	1.26	1.07	0.97	1.02	0.97	NA	NA	NA	1.10	1.30	1.05	0.92	0.92	0.89	0.34	0.62	0.53	NA	NA	NA	NA	NA	NA	NA	NA	NA
Serine	ME800528	1.25	1.25	1.34	NA	NA	1.28	1.29	1.27	1.39	1.13	1.02	1.24	0.65	0.63	0.57	0.46	0.37	0.32	NA	NA	NA	NA	NA	1.38	1.27	1.41	NA	NA	NA	1.37	1.28	1.25	0.92	0.99	0.54	0.55	0.46	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.43	1.34	1.17	0.40	0.37	1.16	1.28	1.33	1.20	1.31	1.22	1.02	1.35	1.38	1.01	1.08	0.97	0.92	0.71	0.80	0.55	0.70	0.56	0.61	0.55	1.18	1.31	1.18	NA	NA	NA	1.21	1.42	1.36	0.91	1.11	1.22	1.03	0.75	0.93	0.69	NA	0.41	NA	NA	NA	NA	NA	NA
sn-Glycero-3-phosphocholine	ME800541	1.26	1.18	1.62	NA	NA	1.14	1.21	1.58	1.35	1.38	1.41	1.31	NA	0.42	0.42	NA	0.32	0.30	NA	NA	0.12	NA	NA	1.28	1.11	1.22	NA	NA	NA	1.57	1.36	1.24	1.09	1.12	0.24	0.39	NA	0.21	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.61	1.29	1.16	0.48	0.69	1.06	1.24	1.21	1.02	1.21	1.21	0.97	1.03	1.20	1.10	1.20	1.02	0.82	0.84	0.73	0.77	0.78	0.49	0.62	0.26	1.24	1.27	1.24	NA	NA	NA	1.02	1.24	1.28	1.18	1.29	1.13	1.19	0.81	1.05	0.76	NA	0.47	NA	NA	NA	NA	NA	NA
Asparagine	ME800501	1.13	1.37	1.44	NA	NA	1.24	1.38	1.30	1.28	0.92	0.97	1.03	0.80	0.76	0.75	0.45	0.47	0.52	NA	0.33	NA	NA	NA	1.18	1.19	1.33	NA	NA	NA	1.27	1.05	1.06	0.50	0.47	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.47	1.55	1.51	0.42	0.31	1.49	1.56	1.49	1.43	1.46	1.46	1.17	1.42	1.24	1.20	1.14	1.16	0.88	0.62	0.61	0.68	0.68	0.44	0.49	0.42	1.23	1.15	1.23	NA	NA	NA	0.98	1.16	1.18	0.78	0.61	0.80	0.40	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Glucose	ME800510	1.54	1.73	1.74	NA	NA	1.61	1.62	1.73	1.72	1.34	1.39	1.67	1.05	0.90	0.91	0.55	0.44	0.43	0.02	0.02	NA	NA	NA	1.26	1.28	1.35	NA	NA	NA	1.40	1.09	1.28	0.93	0.92	0.31	0.53	0.29	NA	0.01	NA	NA	NA	NA	NA	NA	NA	0.00	NA	1.61	1.87	1.74	NA	NA	1.67	1.59	1.76	1.59	1.66	1.71	1.48	1.62	1.63	1.33	1.46	1.26	1.03	0.15	0.34	0.49	0.78	0.02	NA	NA	1.34	1.35	1.34	NA	NA	NA	1.17	1.37	1.33	0.96	0.92	1.02	0.55	0.34	0.42	0.01	0.00	0.00	0.00	0.00	0.00	NA	NA	NA
Betaine	ME800503	1.59	1.97	1.93	0.54	0.53	1.62	1.73	1.74	1.55	0.89	0.68	0.92	0.21	0.31	0.33	0.23	0.37	0.26	0.27	0.30	0.31	0.33	0.41	1.88	1.76	2.01	NA	NA	NA	1.99	1.40	1.49	0.96	0.78	0.34	0.47	0.36	0.18	0.31	0.18	NA	NA	NA	NA	NA	0.06	NA	NA	1.91	1.97	1.81	0.83	0.80	1.83	2.00	1.82	1.70	1.82	1.64	1.49	1.71	1.74	1.23	1.30	1.06	0.69	0.39	0.47	0.37	0.46	0.44	0.52	0.65	1.93	1.91	1.93	NA	NA	NA	1.63	1.99	1.76	1.33	1.32	1.34	0.55	0.24	0.30	0.33	0.18	0.21	0.07	0.05	0.08	NA	NA	NA
Sucrose	ME800531	1.26	1.50	1.53	NA	NA	1.35	1.43	1.44	1.40	0.82	0.46	0.63	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.22	NA	1.52	1.53	1.67	NA	NA	NA	1.67	1.19	1.48	0.71	0.69	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.38	1.59	1.46	0.01	0.02	1.43	1.59	1.51	1.40	1.43	1.44	1.20	1.32	1.32	0.81	0.96	0.50	0.10	NA	0.03	0.05	0.03	0.04	0.03	0.03	1.58	1.60	1.58	NA	NA	NA	1.46	1.08	1.63	0.77	0.90	1.05	0.13	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.05	NA

Factors:

F1	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):0 \| Replica:1
F2	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):0 \| Replica:2
F3	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):0 \| Replica:3
F4	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):10 \| Replica:2
F5	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):10 \| Replica:3
F6	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):2 \| Replica:1
F7	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):2 \| Replica:2
F8	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):2 \| Replica:3
F9	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):3 \| Replica:1
F10	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):4 \| Replica:1
F11	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):4 \| Replica:2
F12	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):4 \| Replica:3
F13	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):5 \| Replica:1
F14	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):5 \| Replica:2
F15	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):5 \| Replica:3
F16	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):6 \| Replica:1
F17	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):6 \| Replica:2
F18	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):6 \| Replica:3
F19	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):7 \| Replica:2
F20	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):7 \| Replica:3
F21	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):8 \| Replica:1
F22	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):8 \| Replica:2
F23	Sample source:19N \| Strain:19N \| initial pH:5.5 \| Time (h):8 \| Replica:3
F24	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):0 \| Replica:1
F25	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):0 \| Replica:2
F26	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):0 \| Replica:3
F27	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):10 \| Replica:1
F28	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):10 \| Replica:2
F29	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):11 \| Replica:3
F30	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):1 \| Replica:3
F31	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):2 \| Replica:1
F32	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):2 \| Replica:2
F33	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):3 \| Replica:1
F34	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):3 \| Replica:3
F35	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):4 \| Replica:1
F36	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):4 \| Replica:2
F37	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):4 \| Replica:3
F38	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):5 \| Replica:1
F39	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):5 \| Replica:2
F40	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):5 \| Replica:3
F41	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):6 \| Replica:1
F42	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):6 \| Replica:2
F43	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):6 \| Replica:3
F44	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):7 \| Replica:2
F45	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):7 \| Replica:3
F46	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):8 \| Replica:1
F47	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):8 \| Replica:2
F48	Sample source:19N \| Strain:19N \| initial pH:7.4 \| Time (h):9 \| Replica:3
F49	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):0 \| Replica:1
F50	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):0 \| Replica:2
F51	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):0 \| Replica:3
F52	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):10 \| Replica:2
F53	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):10 \| Replica:3
F54	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):2 \| Replica:1
F55	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):2 \| Replica:2
F56	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):2 \| Replica:3
F57	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):3 \| Replica:1
F58	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):3 \| Replica:2
F59	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):3 \| Replica:3
F60	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):4 \| Replica:1
F61	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):4 \| Replica:2
F62	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):4 \| Replica:3
F63	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):5 \| Replica:1
F64	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):5 \| Replica:2
F65	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):5 \| Replica:3
F66	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):6 \| Replica:2
F67	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):6 \| Replica:3
F68	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):7 \| Replica:1
F69	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):7 \| Replica:2
F70	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):7 \| Replica:3
F71	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):8 \| Replica:2
F72	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):8 \| Replica:3
F73	Sample source:ICE25 \| Strain:ICE25 \| initial pH:5.5 \| Time (h):9 \| Replica:1
F74	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):0 \| Replica:1
F75	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):0 \| Replica:2
F76	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):0 \| Replica:3
F77	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):10 \| Replica:1
F78	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):10 \| Replica:2
F79	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):10 \| Replica:3
F80	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):2 \| Replica:1
F81	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):2 \| Replica:2
F82	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):2 \| Replica:3
F83	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):4 \| Replica:1
F84	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):4 \| Replica:2
F85	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):4 \| Replica:3
F86	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):5 \| Replica:1
F87	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):5 \| Replica:2
F88	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):5 \| Replica:3
F89	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):6 \| Replica:1
F90	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):6 \| Replica:2
F91	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):6 \| Replica:3
F92	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):7 \| Replica:1
F93	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):7 \| Replica:2
F94	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):7 \| Replica:3
F95	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):8 \| Replica:1
F96	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):8 \| Replica:2
F97	Sample source:ICE25 \| Strain:ICE25 \| initial pH:7.4 \| Time (h):8 \| Replica:3

Data matrix