Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003431)

HILIC POSITIVE ION MODE (Analysis AN005636)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20	F21	F22
O-Butyryl-L-carnitine 85	ME898141	0.21	1.78	0.14	0.10	1.03	0.07	0.09	0.11	0.05	2.68	7.16	0.49	0.04	0.70	0.02	0.16	3.83	0.17	0.00	0.35	3.58	0.22
O-Myristoyl-L-carnitine 85	ME898163	0.69	2.72	0.77	0.12	1.98	0.11	0.58	0.54	0.47	0.45	10.07	0.39	0.26	0.43	0.39	0.29	0.59	0.30	0.02	0.11	1.55	0.14
O-Palmitoleoyl-L-carnitine 85	ME898168	1.10	2.71	0.96	0.06	0.79	0.11	0.50	0.47	0.47	1.42	11.02	0.67	0.15	0.24	0.23	0.17	0.47	0.17	0.01	0.08	1.00	0.19
O-Lauroyl-L-carnitine 85	ME898160	0.66	3.42	0.78	0.11	0.49	0.19	0.37	0.39	0.38	0.50	7.31	0.47	0.36	0.61	0.38	0.35	1.28	0.41	0.06	0.37	3.54	0.49
O-Myristoleoyl-L-carnitine 85	ME898162	1.52	2.71	1.50	0.49	0.39	0.25	0.43	0.61	0.70	0.84	5.97	0.63	0.61	0.71	0.62	0.48	0.54	0.34	0.09	0.36	2.34	0.86
O-Oleoyl-L-carnitine 85	ME898172	2.03	4.02	1.68	0.06	0.72	0.05	0.71	0.67	0.72	2.60	5.76	1.11	0.25	0.34	0.26	0.13	0.23	0.14	0.00	0.18	1.12	0.19
O-Palmitoyl-L-carnitine 85	ME898169	1.46	3.23	1.28	0.10	2.39	0.09	0.92	0.98	0.90	0.93	7.11	0.62	0.36	0.54	0.43	0.26	0.41	0.23	0.01	0.10	0.56	0.07
Guanosine 152	ME898150	7.28	3.99	4.74	0.08	0.07	0.09	0.28	0.26	0.37	0.14	0.12	0.11	0.89	0.45	0.82	0.58	0.80	0.85	0.01	0.30	0.36	0.39
Inosine 137	ME898148	6.44	3.70	4.04	0.24	0.20	0.21	0.59	0.57	0.60	0.30	0.14	0.17	0.79	0.78	1.05	0.65	0.55	0.76	0.05	0.44	0.35	0.38
Sarcosine 44	ME898090	0.18	0.17	0.32	0.55	0.53	0.54	0.38	0.34	0.28	0.57	0.57	0.49	0.50	0.44	0.44	5.83	4.65	4.93	0.09	0.52	0.30	0.31
O-Valeryl-L-carnitine 85	ME898145	2.81	1.69	1.47	0.22	0.21	0.15	0.43	0.27	0.27	6.25	1.68	1.05	0.39	0.29	0.31	0.41	0.52	0.52	0.01	1.89	0.79	1.16
GABA 87	ME898092	0.28	0.18	0.17	6.20	3.03	3.13	0.94	0.29	0.34	0.38	0.32	0.25	0.66	0.59	0.59	1.17	1.37	1.24	0.00	0.80	0.52	0.54
Beta-Alanine 30	ME898210	0.46	0.38	0.40	0.72	0.50	0.53	0.52	0.49	0.31	0.06	0.06	0.56	0.68	0.86	0.57	1.18	1.53	1.48	0.01	4.62	3.72	3.36
Cysteine 76	ME898102	0.28	0.56	0.21	0.51	0.59	1.77	0.57	0.33	0.33	0.47	0.87	0.67	0.86	2.30	0.90	1.49	1.05	1.96	5.74	0.49	0.38	0.62
Thiamine 122	ME898147	0.41	0.38	0.34	0.65	0.61	0.53	0.60	0.44	0.47	0.71	0.60	0.29	1.26	1.18	1.09	2.71	2.14	1.98	5.32	0.48	0.37	0.45
Choline 60	ME898093	0.89	0.49	0.51	1.44	0.59	0.82	0.33	0.19	0.27	0.72	0.41	0.57	0.47	0.46	0.51	1.36	0.96	1.22	5.77	2.09	1.17	1.76
Glutamine 130	ME898117	0.73	0.83	0.35	0.52	0.97	0.33	1.54	1.15	1.03	1.02	0.77	1.35	0.51	0.03	0.67	0.10	0.30	0.44	6.95	0.44	1.22	1.72
Glutamine 84	ME898116	0.77	0.91	0.38	0.55	1.21	0.47	1.54	1.26	1.28	0.92	0.75	1.27	0.45	0.01	0.81	0.07	0.33	0.49	6.20	0.43	1.19	1.71
Cerulenin 207	ME898139	0.66	0.52	0.49	0.74	0.76	0.80	1.13	0.85	0.97	0.60	0.74	0.73	0.79	0.66	0.65	0.88	0.85	0.59	5.65	0.85	0.69	1.23
Thymine 84	ME898105	1.13	0.63	0.90	0.91	0.56	0.89	0.86	0.67	0.35	0.89	0.60	0.74	0.86	0.87	1.08	0.39	0.62	1.03	6.39	0.53	0.44	0.50
Threonine 102	ME898100	0.45	0.47	0.40	0.80	1.16	1.13	0.81	0.66	0.64	0.58	0.73	0.53	0.50	0.49	0.48	1.21	1.33	1.30	7.75	0.47	0.54	0.52
Threonine 74 POS	ME898099	0.43	0.45	0.37	0.83	1.17	1.15	0.81	0.62	0.65	0.53	0.74	0.49	0.47	0.46	0.44	1.22	1.38	1.30	8.08	0.47	0.47	0.46
Valine 55	ME898098	0.38	0.47	0.39	1.10	1.62	1.64	0.74	0.58	0.63	0.79	1.00	0.70	0.49	0.55	0.49	0.77	1.04	0.93	7.06	0.51	0.53	0.58
Valine 72	ME898097	0.44	0.53	0.45	1.21	1.69	1.75	0.79	0.57	0.61	0.84	1.02	0.75	0.52	0.58	0.51	0.86	1.08	1.02	5.99	0.59	0.60	0.62
pABA 120	ME898115	1.32	0.97	0.80	4.03	1.46	3.82	0.68	0.48	0.67	0.50	0.53	0.29	0.37	0.85	0.42	0.46	0.44	0.51	3.35	0.30	0.29	0.23
Histidine 110 POS	ME898122	0.67	0.73	0.76	2.14	2.27	2.12	1.00	0.73	1.08	1.06	NA	0.39	0.74	0.71	1.01	0.05	0.04	0.05	4.36	0.73	0.71	0.74
Pantothenic 202	ME898138	0.76	0.78	0.72	0.78	0.91	0.76	0.41	0.35	0.36	1.18	0.92	0.79	0.68	0.61	0.60	2.08	2.27	2.20	3.16	0.92	0.88	0.82
Histidine 83	ME898123	0.46	0.61	0.45	1.41	1.83	1.40	0.66	0.76	0.60	0.91	1.02	0.76	0.52	0.49	0.72	1.09	1.29	1.51	4.44	0.69	0.70	0.66
Serine 60	ME898094	0.78	0.67	0.57	1.24	1.93	1.84	1.60	1.20	1.23	0.61	0.96	0.69	0.22	0.27	0.25	1.30	1.72	1.57	3.07	0.37	0.43	0.47
O-Formyl-L-carnitine 145	ME898132	0.55	0.60	0.63	1.71	2.28	2.53	0.82	0.68	0.79	0.86	1.07	0.76	0.72	0.62	0.66	1.23	1.35	1.32	3.18	0.13	0.14	0.31
Tryptophan 118	ME898136	0.57	0.65	0.58	1.72	2.51	2.47	0.86	0.67	0.72	0.91	1.14	0.77	0.59	0.63	0.59	1.17	1.39	1.31	3.33	0.05	0.17	0.19
Tryptophan 146	ME898135	0.58	0.65	0.57	1.73	2.53	2.49	0.85	0.66	0.72	0.94	1.11	0.78	0.59	0.62	0.60	1.20	1.40	1.34	3.24	0.05	0.17	0.19
Isoleucine 69	ME898109	0.48	0.57	0.50	1.70	1.89	1.87	0.74	0.61	0.65	0.90	1.12	0.81	0.65	0.64	0.59	1.57	1.56	1.53	2.28	0.85	0.72	0.75
Tyrosine 123	ME898131	0.60	0.53	0.56	1.72	1.78	2.23	0.82	0.70	0.71	1.00	1.17	0.80	0.69	0.68	0.61	1.10	1.13	1.20	2.82	0.74	0.66	0.76
Tyrosine 136	ME898130	0.60	0.54	0.58	1.69	1.76	2.16	0.83	0.66	0.72	0.99	1.18	0.78	0.66	0.70	0.63	1.14	1.17	1.17	2.83	0.74	0.71	0.76
Methionine 104	ME898119	0.66	0.71	0.63	1.77	2.14	2.10	0.81	0.61	0.68	0.91	1.11	0.78	0.65	0.66	0.59	1.18	1.33	1.28	2.25	0.74	0.68	0.72
Methionine 61	ME898120	0.66	0.71	0.62	1.82	2.20	2.21	0.80	0.61	0.67	0.88	1.09	0.75	0.63	0.64	0.59	1.14	1.33	1.25	2.38	0.70	0.65	0.67
Dimethylmalonate 101	ME898111	0.20	2.08	1.17	0.17	3.17	1.55	0.27	1.51	1.64	0.08	1.52	0.63	0.25	2.77	2.37	0.00	0.01	0.01	0.02	0.17	1.58	1.86
GSK2194069 344	ME898176	1.43	0.00	1.22	2.46	0.00	2.04	0.88	0.00	0.75	1.79	0.00	1.42	0.90	0.00	1.00	2.61	0.00	3.08	0.00	1.57	0.00	1.85
Malonyl-CoA 303	ME898205	1.68	0.06	1.46	2.01	0.08	1.54	0.34	0.02	0.07	1.87	0.05	1.49	1.52	0.25	1.23	2.53	0.12	2.37	0.00	2.49	0.09	1.74
Malonyl-CoA 428	ME898206	1.62	0.06	1.38	1.88	0.07	1.46	0.30	0.02	0.07	1.76	0.05	1.41	1.41	0.23	1.15	2.22	0.12	2.14	0.00	2.38	0.08	1.69
O-Propionyl-L-carnitine 85	ME898137	2.40	1.49	1.53	1.03	0.25	0.39	0.12	0.05	0.05	2.60	0.66	1.05	1.44	0.63	0.64	2.59	1.28	1.82	0.00	1.33	0.72	0.92
Carnitine 102	ME898125	2.24	1.00	1.04	1.56	0.60	0.70	0.25	0.16	0.11	2.65	0.35	0.66	1.14	0.43	0.38	3.47	0.70	0.98	0.00	2.10	0.63	0.84
Carnitine 85	ME898124	2.33	1.04	1.11	1.59	0.64	0.72	0.28	0.16	0.11	2.78	0.37	0.69	1.20	0.44	0.41	3.63	0.72	1.04	0.00	2.17	0.71	0.89
O-Caproyl-L-carnitine 85	ME898146	0.51	0.52	0.45	0.61	1.05	0.40	0.15	0.14	0.13	2.35	2.81	1.54	0.49	0.61	0.41	1.89	2.90	2.12	0.04	1.21	1.37	1.31
Sarcosine 30	ME898091	0.29	0.46	0.15	0.52	0.68	0.46	0.79	0.91	0.61	0.34	0.98	0.61	0.82	0.92	0.93	4.08	3.14	3.48	0.65	0.73	0.39	0.78
Urea 44	ME898085	0.81	0.57	0.62	0.94	1.04	0.75	0.42	0.35	0.52	0.73	0.77	0.63	0.72	0.84	0.64	4.01	3.84	3.55	0.01	0.35	0.45	0.38
Alanine 44	ME898208	0.87	0.77	0.68	1.63	1.60	1.49	0.28	0.16	0.16	0.65	0.75	0.49	0.18	0.25	0.24	3.40	3.35	3.15	0.25	0.94	0.91	0.81
Alanine PAR POS	ME898089	0.86	0.78	0.70	1.82	1.67	1.63	0.26	0.15	0.16	0.69	0.76	0.54	0.21	0.29	0.27	2.86	2.95	2.84	0.18	1.20	1.16	1.04
Glycine PAR POS	ME898088	0.67	0.59	0.56	0.85	1.44	1.55	0.65	0.53	0.59	0.54	0.64	0.56	0.44	0.34	0.34	3.62	3.08	3.17	0.55	0.94	0.67	0.68
Ornithine 70	ME898113	0.46	0.53	0.37	1.23	1.41	1.19	0.39	0.31	0.32	0.64	0.91	0.53	0.79	0.80	0.64	3.32	3.35	3.04	0.01	1.15	0.76	0.86
Penicillin G 289 POS	ME898157	0.52	0.86	0.45	1.42	1.65	0.81	0.67	0.60	0.53	0.85	1.22	0.53	1.05	1.20	0.73	2.83	3.10	2.50	0.00	0.51	0.51	0.45
Biotin 227	ME898144	0.66	0.63	0.64	0.93	0.96	0.84	0.45	0.36	0.40	2.07	1.08	0.99	0.59	0.52	0.53	3.23	3.10	3.03	0.07	0.72	0.62	0.57
Acetyl-CoA 303	ME898203	0.87	0.80	0.88	1.01	0.76	0.76	0.28	0.29	0.39	1.24	0.81	1.10	0.88	1.11	0.83	2.77	2.52	2.72	0.00	1.21	0.82	0.95
Acetyl-CoA 428	ME898204	0.84	0.73	0.84	0.99	0.74	0.72	0.28	0.27	0.40	1.18	0.77	1.13	0.84	1.04	0.77	2.62	2.41	2.66	0.00	1.14	0.77	0.86
Adenosylcobalamin 341	ME898201	2.93	1.32	0.85	1.23	0.33	0.80	1.07	0.21	0.85	0.43	0.66	0.63	0.21	0.68	0.61	2.59	0.52	0.69	NA	1.17	2.14	0.68
O-Acetyl-L-carnitine 145	ME898134	0.82	1.01	1.04	0.62	0.45	0.48	0.38	0.39	0.23	1.92	0.82	1.00	0.66	0.65	0.79	1.60	1.36	1.39	NA	2.55	1.82	2.02
O-Acetyl-L-carnitine 85	ME898133	0.90	1.10	1.11	0.68	0.49	0.53	0.43	0.42	0.26	1.95	0.90	1.09	0.72	0.70	0.84	1.65	1.45	1.45	0.00	2.44	1.89	2.00
Cytidine 112	ME898143	0.80	0.77	0.90	0.33	0.41	0.48	0.68	0.83	1.08	0.97	1.02	0.84	1.40	0.96	1.27	2.27	2.10	1.94	NA	1.15	0.85	0.94
Adenosylcobalamin 147	ME898200	1.38	0.97	0.87	1.18	1.85	1.20	0.41	0.36	0.40	0.35	0.78	0.41	0.22	0.15	0.31	3.04	1.88	2.19	0.17	2.01	1.99	0.76
Asparagine 87	ME898112	0.99	0.74	0.64	1.97	2.07	2.09	1.14	0.84	0.86	0.93	1.18	0.73	0.49	0.41	0.39	1.54	1.51	1.47	0.23	1.26	0.81	0.71
Leucine 86	ME898110	0.20	0.52	0.27	2.27	2.60	1.79	1.08	0.60	0.28	0.77	1.04	0.83	0.62	0.27	0.26	2.08	2.02	1.99	0.72	1.14	0.96	0.69
Alanine 30	ME898209	0.83	0.89	0.78	2.18	1.88	1.66	0.31	0.23	0.26	0.80	0.83	0.81	0.32	0.42	0.45	1.47	1.63	1.62	0.09	1.96	1.93	1.64
O-Undecyloyl-L-carnitine 85	ME898156	0.70	1.11	0.91	0.88	0.99	2.08	1.07	0.76	1.12	0.74	0.63	0.57	0.78	0.83	0.68	1.39	1.95	1.81	0.30	1.22	0.98	1.34
NADH 348	ME898195	0.48	0.42	0.41	1.65	1.41	1.11	0.44	0.46	0.44	0.51	0.42	0.31	1.10	1.07	0.77	2.79	2.00	2.02	NA	1.40	0.90	0.90
NADH 649	ME898194	0.52	0.46	0.47	1.81	1.56	1.26	0.50	0.53	0.49	0.58	0.48	0.33	1.24	1.18	0.85	2.93	2.07	2.22	0.00	1.56	0.98	0.98
4-Hydroxyproline 68	ME898108	0.63	0.60	0.52	1.30	1.41	1.37	1.09	0.85	0.87	1.36	1.46	1.06	0.86	0.71	0.67	2.12	2.00	1.89	0.00	0.81	0.73	0.68
Pyroglutamic 84	ME898106	0.59	0.71	0.65	1.24	1.39	1.18	0.54	0.49	0.51	1.05	1.31	0.85	0.99	1.22	0.94	1.91	2.08	1.92	0.41	0.90	0.84	0.80
GSH 290	ME898154	0.67	0.67	0.68	2.08	1.42	1.44	0.72	0.65	0.70	1.00	1.06	0.84	1.08	1.07	1.08	1.33	1.43	1.53	0.02	0.97	1.29	1.25
GSH 76	ME898153	0.78	0.75	0.76	1.76	1.34	1.39	0.80	0.72	0.78	1.03	1.09	0.91	1.13	1.09	1.10	1.29	1.36	1.41	0.00	1.01	1.24	1.24
Proline 70	ME898096	1.21	1.05	1.00	1.94	1.76	1.72	0.42	0.28	0.30	0.79	0.83	0.64	0.76	0.60	0.53	1.77	1.43	1.42	0.59	1.66	1.18	1.12
NAD+ 428	ME898193	1.00	0.85	0.90	1.56	1.47	1.63	0.39	0.27	0.31	0.79	0.89	0.82	0.93	0.92	0.91	1.71	1.47	1.50	0.00	1.59	1.51	1.59
NAD+ 524	ME898192	0.80	0.79	0.82	1.63	1.42	1.67	0.40	0.28	0.32	0.73	0.89	0.75	1.00	0.97	0.94	1.82	1.49	1.52	0.00	1.65	1.59	1.53
ATP 136	ME898188	0.97	0.87	0.83	1.82	1.56	1.61	0.46	0.32	0.36	0.75	0.70	0.62	0.90	0.87	0.75	2.13	1.83	1.87	0.01	1.40	1.21	1.15
ATP 232	ME898189	0.90	0.81	0.79	1.81	1.53	1.58	0.42	0.29	0.32	0.67	0.67	0.57	0.84	0.84	0.69	2.17	1.79	1.80	0.00	1.33	1.09	1.09
ADP 136	ME898173	0.87	0.92	0.93	1.35	1.21	1.23	0.51	0.41	0.43	1.04	0.93	0.89	0.88	0.74	0.70	2.12	2.10	2.06	0.01	1.22	1.30	1.14
ADP 97	ME898174	0.88	0.89	0.84	1.28	1.19	1.20	0.48	0.42	0.43	1.02	0.88	0.84	0.93	0.73	0.71	2.02	2.01	1.99	0.01	1.00	1.21	1.06
Doxycycline 321	ME898182	0.87	0.68	1.16	1.15	1.30	0.46	1.86	0.91	0.92	1.09	1.11	1.10	0.45	0.93	0.93	0.92	0.91	2.20	0.45	1.39	NA	0.46
TVB-3166 116	ME898164	1.12	0.60	0.72	0.73	0.82	0.72	0.72	2.10	0.64	0.63	1.34	0.70	0.88	1.66	1.48	1.13	1.43	1.08	0.12	0.99	1.59	1.08
Cerulenin 89	ME898140	0.88	0.61	0.68	1.02	1.00	1.02	1.42	1.11	1.25	0.82	1.11	1.05	0.92	0.89	0.93	1.27	1.10	0.79	0.07	1.10	1.08	1.75
Citraconic 113	ME898107	0.75	0.76	0.85	0.56	1.01	0.87	0.93	1.47	0.94	0.94	1.68	1.04	0.81	0.96	1.27	1.10	0.87	0.90	0.03	1.06	1.13	2.22
Methylcobalamin 147	ME898196	0.69	1.76	1.32	1.54	1.43	1.15	0.53	0.46	0.71	0.88	1.27	0.54	0.91	0.83	0.51	1.71	1.11	1.11	1.00	1.34	1.33	0.67
Fasnall 218	ME898158	0.47	1.14	0.76	0.99	1.05	0.39	0.90	1.45	0.88	0.91	0.79	0.66	0.77	0.95	0.67	1.64	1.36	1.30	0.74	0.58	1.61	1.33
O-Tridecyloyl-L-carnitine 85	ME898161	0.99	1.65	1.02	1.16	0.68	0.83	0.96	1.09	0.75	0.78	1.04	0.71	0.77	0.92	0.69	1.64	1.81	1.41	0.09	0.92	2.13	0.84
VY-7-137 233	ME898191	0.62	1.78	1.52	0.77	0.83	0.56	1.10	0.63	0.68	0.89	0.90	0.87	0.96	1.39	0.91	0.56	0.95	1.78	0.73	1.40	0.93	1.31
Methotrexate 308	ME898184	0.42	0.74	0.93	1.21	1.02	1.14	0.88	1.28	0.76	1.01	0.89	0.99	1.25	0.91	1.33	0.74	1.35	0.78	1.57	0.93	0.70	1.00
O-Caprylyl-L-carnitine 85	ME898151	0.67	1.18	0.91	0.80	0.91	0.78	0.46	1.04	0.63	1.09	1.57	0.91	0.76	0.84	1.12	1.13	1.56	0.64	2.13	0.80	1.29	1.35
Rotenone 213	ME898167	0.95	1.21	0.85	1.17	0.90	0.49	1.04	0.72	0.64	1.11	0.83	1.26	0.70	1.09	1.86	1.05	1.37	1.08	0.84	0.77	0.92	1.15
Uracil 70	ME898095	0.70	1.14	1.10	1.20	1.52	1.63	0.71	0.60	0.42	1.03	1.30	1.38	0.91	1.31	1.44	0.74	0.83	0.86	0.80	0.76	0.72	0.95
O-Pelargonyl-L-carnitine 85	ME898152	0.53	0.73	0.66	0.52	0.54	0.53	0.71	0.68	1.66	1.89	0.81	1.24	0.78	1.03	0.93	1.61	1.06	1.51	1.38	1.47	1.20	1.33
TVB-2640 412	ME898179	2.13	0.49	0.76	0.47	0.81	0.94	0.85	0.65	1.40	0.89	0.65	1.27	1.13	0.79	0.61	1.04	1.01	1.02	1.02	2.03	1.42	0.50
VY-7-137 508	ME898190	1.05	1.25	1.19	0.48	0.46	0.31	2.02	1.95	2.00	0.63	0.85	0.65	1.56	2.18	1.80	0.97	1.45	1.04	0.04	0.35	0.32	0.37
Adenine 119	ME898114	0.69	0.64	0.83	1.00	1.12	1.25	1.00	0.96	1.45	0.36	0.36	0.24	2.29	2.08	2.87	0.94	1.27	1.10	0.04	1.05	0.63	0.80
O-Erucioyl-L-carnitine 85	ME898187	1.01	1.07	0.92	0.89	1.38	0.83	0.77	0.79	0.84	1.05	1.28	0.92	1.23	2.60	1.63	1.09	1.46	1.09	0.01	0.71	0.66	0.75
TVB-3166 342	ME898165	0.46	0.60	0.42	0.67	1.24	1.87	1.29	1.37	2.34	0.66	0.49	0.37	0.46	0.92	1.57	0.89	0.61	1.51	NA	0.83	0.43	1.13
O-Enanthyl-L-carnitine 85	ME898149	0.94	2.62	0.71	0.65	1.10	0.58	1.70	0.70	1.22	0.75	0.54	0.97	0.44	0.82	1.01	0.89	1.93	0.77	0.03	1.52	0.76	0.49
VY-3-135 355	ME898178	1.67	1.89	1.33	0.85	2.07	0.46	1.73	0.66	1.17	0.44	0.54	0.54	0.67	1.79	0.81	0.56	0.89	0.65	0.39	1.49	0.97	0.56
VY-3-135 412	ME898177	1.62	2.07	1.57	0.45	1.63	0.71	1.82	2.17	1.04	0.57	0.43	0.34	0.72	1.85	0.78	0.76	0.84	0.85	0.04	0.78	1.05	0.85
Ethanolamine 29	ME898087	1.66	1.54	1.45	1.25	1.09	1.21	1.80	1.73	1.03	0.83	0.52	0.70	1.07	0.97	1.23	0.47	0.39	0.34	0.05	1.21	1.09	1.28
Ethanolamine 44	ME898086	1.64	1.54	1.42	1.16	1.13	1.25	1.79	1.75	1.02	0.84	0.54	0.69	1.04	0.95	1.26	0.46	0.43	0.37	0.02	1.21	1.08	1.29
Puro Heavy 121	ME898186	1.24	1.09	1.06	2.48	1.58	1.68	1.97	1.58	1.00	0.57	0.37	0.73	1.08	1.02	0.66	0.35	0.79	0.60	0.49	0.63	0.95	0.79
Citrulline 113	ME898129	1.63	0.95	0.91	1.68	1.69	1.62	2.27	1.15	1.75	0.63	0.56	0.39	0.48	0.51	0.86	0.85	0.75	1.33	0.32	1.01	0.73	0.82
Citrulline 70	ME898128	1.73	1.01	1.11	1.50	1.40	1.61	2.02	1.61	1.77	0.66	0.53	0.57	0.57	0.57	0.59	0.98	0.91	1.17	0.25	0.90	0.80	0.74
Formyl-CoA 428	ME898202	0.59	0.80	0.54	1.67	3.49	2.06	0.58	0.19	0.56	0.68	0.43	0.40	0.57	0.66	0.19	0.96	0.78	1.70	0.17	1.81	2.36	1.54
Guanine 135	ME898121	1.09	1.19	1.92	1.54	1.44	3.07	0.49	0.42	0.49	0.77	1.09	0.64	0.69	1.12	0.19	1.40	0.72	0.92	0.01	2.35	1.11	0.33
Myristoyl-CoA 428	ME898207	0.50	1.99	0.75	1.23	1.96	1.27	0.35	0.43	0.41	0.20	3.13	0.24	0.38	1.17	0.42	0.67	3.05	1.33	0.02	0.62	1.63	0.76
O-Capryl-L-carnitine 85	ME898155	1.16	1.49	0.78	0.77	0.95	0.53	0.61	0.85	0.79	1.29	2.70	0.81	0.80	1.29	0.65	1.00	1.42	0.55	0.46	0.88	1.92	1.18
O-Lauroleoyl-L-carnitine 85	ME898159	0.84	1.65	0.93	0.54	0.76	0.48	0.60	0.54	0.43	1.13	4.19	1.26	0.63	1.08	0.46	0.84	1.13	0.71	0.25	0.95	2.45	0.98
O-Paullinoyl-L-carnitine 85	ME898183	1.86	1.86	2.23	0.32	0.50	0.36	1.01	0.75	1.37	2.41	2.99	1.01	0.47	0.71	0.44	0.98	1.10	0.96	0.02	0.55	0.49	0.59
O-Acyl(17:1)-L-carnitine 85	ME898170	1.47	2.82	1.34	0.50	1.40	0.79	0.90	1.35	1.07	0.87	2.58	0.87	0.57	0.73	0.77	0.68	0.75	0.65	0.09	0.53	1.56	0.62
O-Pentadecyloyl-L-carnitine 85	ME898166	1.19	2.02	1.19	0.50	1.43	0.65	1.19	1.31	1.60	0.85	1.79	0.58	0.79	1.17	1.01	0.82	1.37	0.81	0.04	0.61	1.44	0.60
O-Margaroyl-L-carnitine 85	ME898171	2.03	2.50	1.96	0.53	1.11	0.46	1.82	1.06	1.63	1.17	2.03	0.70	0.89	1.02	0.58	0.68	0.61	0.32	0.04	0.32	0.96	0.52
O-Stearoyl-L-carnitine 85	ME898175	1.57	2.47	1.47	0.18	0.61	0.09	1.71	1.39	1.56	2.02	2.61	1.30	1.14	1.44	1.16	0.54	0.44	0.46	0.00	0.19	0.42	0.22
Cyanocobalamin 147	ME898198	0.05	0.07	0.06	0.10	0.09	0.05	0.03	0.02	0.03	0.02	0.10	0.03	0.08	0.05	0.04	0.21	0.20	0.25	21.43	0.04	0.03	0.02
Folic 295	ME898181	0.24	0.40	0.21	0.59	0.72	0.37	0.28	0.27	0.24	0.37	0.66	0.22	0.44	0.52	0.31	1.50	1.62	1.15	12.21	0.24	0.23	0.20
Lysine 84	ME898118	0.29	0.36	0.26	0.73	1.12	0.96	0.27	0.23	0.24	0.61	0.78	0.50	0.39	0.46	0.37	0.74	0.97	0.85	11.70	0.38	0.35	0.41
Niaciamide 106	ME898104	0.15	0.49	0.36	1.06	0.86	0.46	0.34	0.24	0.20	0.68	0.59	0.34	0.66	0.63	0.29	1.18	1.08	1.22	11.34	0.29	0.28	0.22
Cysteine PAR POS	ME898101	0.38	0.51	0.40	1.53	0.53	0.49	0.52	0.36	0.46	0.26	0.57	0.17	0.35	0.20	0.32	1.73	1.04	0.97	9.28	1.14	0.28	0.70
Niaciamide 80	ME898103	0.51	0.55	0.39	1.11	0.98	0.65	0.34	0.25	0.25	0.75	0.73	0.49	0.62	0.60	0.42	1.39	1.07	1.20	9.75	0.33	0.30	0.32
Pyridoxine 134	ME898127	0.56	0.53	0.42	0.92	0.81	0.59	0.35	0.33	0.32	0.43	0.60	0.30	0.62	0.65	0.45	1.47	1.38	1.29	8.98	0.54	0.48	0.47
Pyridoxine 152	ME898126	0.47	0.57	0.42	0.83	0.95	0.66	0.44	0.32	0.29	0.42	0.68	0.32	0.68	0.59	0.47	1.40	1.44	1.19	9.49	0.49	0.43	0.44
Cyanocobalamin 457	ME898199	0.00	0.02	0.01	0.06	0.02	0.01	NA	0.02	0.00	0.01	0.04	NA	0.02	0.01	0.00	0.12	0.06	0.11	12.53	NA	NA	NA
Thymidine 127	ME898142	0.57	0.57	0.51	0.20	0.12	0.14	0.23	0.16	0.23	0.37	0.35	0.37	0.43	0.41	0.39	0.61	0.75	0.57	15.25	0.27	0.22	0.23

Factors:

F1	Sample source:CAL120 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F2	Sample source:CAL120 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F3	Sample source:CAL120 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F4	Sample source:HCC1806 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F5	Sample source:HCC1806 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F6	Sample source:HCC1806 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F7	Sample source:HS578T breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F8	Sample source:HS578T breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F9	Sample source:HS578T breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F10	Sample source:MCF7 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F11	Sample source:MCF7 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F12	Sample source:MCF7 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F13	Sample source:MDA-MB-231 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F14	Sample source:MDA-MB-231 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F15	Sample source:MDA-MB-231 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F16	Sample source:MDA-MB-468 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F17	Sample source:MDA-MB-468 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F18	Sample source:MDA-MB-468 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F19	Sample source:NA \| Sample Type:QC \| Drug Treatment:NA
F20	Sample source:SUM159PT breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F21	Sample source:SUM159PT breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F22	Sample source:SUM159PT breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069

Data matrix