Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004103)

Reversed phase POSITIVE ION MODE (Analysis AN006804)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17
Guanosine monophosphate	ME1091904	0.19	0.28	0.21	0.22	0.25	0.45	0.33	0.19	0.14	4.59	0.76	0.52	7.00	0.33	0.30	0.22	1.21
Xanthine	ME1092009	0.44	0.58	0.46	0.39	0.32	0.02	0.74	1.09	0.89	0.23	0.26	0.40	0.20	1.31	5.80	1.01	4.01
Xanthosine	ME1092010	0.07	0.13	0.10	0.07	0.06	0.12	0.13	0.10	0.09	0.06	0.34	0.25	0.14	0.32	7.82	0.53	5.30
Sphinganine	ME1091993	0.10	0.09	0.10	0.08	0.18	0.77	0.82	6.65	2.11	1.66	0.14	0.58	1.21	0.12	0.94	0.55	0.11
Isovalerylcarnitine	ME1091916	0.04	1.30	0.03	0.52	0.32	0.74	0.67	0.12	0.71	0.06	2.22	0.07	0.95	0.12	4.95	0.52	2.35
Oxypurinol	ME1091964	0.50	0.93	0.64	0.52	0.22	0.28	0.23	0.32	0.17	0.44	2.32	1.96	1.03	0.22	4.95	0.33	1.33
Picolinic acid	ME1091976	0.21	0.42	0.24	0.36	0.22	0.09	0.54	0.30	0.37	1.32	2.26	1.37	2.09	0.59	3.90	0.80	1.37
PC(18:1(9Z)/18:1(9Z))	ME1091968	NA	NA	NA	NA	0.76	3.75	2.42	0.13	0.11	NA	NA	NA	NA	0.54	1.40	1.34	0.82
Spermine	ME1091992	0.02	0.02	0.02	0.02	1.54	3.99	2.70	2.32	1.70	0.03	0.04	0.03	0.03	1.09	1.07	1.36	2.51
Cortexolone	ME1091861	0.27	0.28	0.31	0.34	2.18	2.50	3.52	1.70	1.70	0.17	0.27	0.23	0.20	0.99	1.50	1.23	0.72
Normetanephrine	ME1091959	0.24	0.04	0.20	0.05	3.08	1.96	1.95	3.39	1.54	0.14	0.04	0.21	0.05	1.07	1.51	1.02	0.75
Pantothenic acid	ME1091966	0.31	0.05	0.32	0.07	2.88	1.62	1.64	2.71	1.39	0.18	0.05	0.27	0.05	1.46	1.59	1.43	1.14
5-Hydroxyindoleacetic acid	ME1091831	0.75	0.64	0.89	0.67	0.30	0.36	0.54	0.49	0.27	0.55	3.72	1.59	2.24	0.84	0.82	0.82	1.35
L-Kynurenine	ME1091929	0.73	0.60	0.79	0.53	0.31	0.26	0.23	0.35	0.28	0.91	3.29	1.90	2.38	0.74	1.13	0.80	1.50
4-Guanidinobutanoic acid	ME1091826	2.25	2.02	0.91	2.19	0.28	0.31	0.34	0.54	0.24	2.07	2.13	2.08	2.21	0.44	0.41	0.45	0.33
L-Tryptophan	ME1091934	1.63	1.86	1.84	1.13	0.03	NA	0.06	0.04	0.05	2.13	2.74	2.07	2.03	0.03	0.13	0.04	0.13
Phenol	ME1091970	1.94	1.64	1.90	1.44	0.11	0.10	0.12	0.12	0.12	2.67	1.83	2.16	1.83	0.12	0.12	0.11	0.12
Propionic acid	ME1091980	1.92	1.97	2.09	1.90	0.02	0.02	0.01	0.02	0.02	2.23	1.90	2.15	1.97	0.02	0.00	0.00	0.00
Urocanic acid	ME1092008	2.15	2.12	1.86	1.71	0.01	NA	0.01	0.01	0.00	2.21	1.91	2.11	2.12	0.01	0.01	0.01	0.01
Cytosine	ME1091867	2.38	2.10	2.06	1.95	0.05	0.07	0.06	0.05	0.04	1.29	2.41	2.33	1.49	0.05	0.08	0.04	0.13
Uracil	ME1092003	1.99	2.39	2.31	1.77	0.01	0.51	0.08	0.03	0.02	0.75	1.60	2.54	1.69	0.02	0.11	0.03	0.04
Ureidopropionic acid	ME1092005	0.68	0.98	1.04	0.90	0.28	0.40	0.35	0.22	0.31	1.24	1.59	1.69	1.92	0.17	2.04	0.30	1.42
L-Glutamine	ME1091927	0.58	1.12	0.63	0.66	0.61	0.67	0.62	0.63	0.71	0.73	1.71	1.86	1.92	0.40	1.29	0.98	1.51
L-Proline	ME1091933	1.04	1.30	0.87	0.78	0.66	1.03	0.89	0.82	0.82	0.77	1.70	1.31	1.51	0.44	1.57	0.86	1.01
Adenosine monophosphate	ME1091844	1.58	1.54	1.00	1.40	0.33	0.60	0.57	0.52	0.42	0.79	2.98	1.47	1.73	0.57	0.44	0.54	0.75
Phenylacetic acid	ME1091972	1.77	2.05	1.61	1.65	0.28	0.27	0.27	0.36	0.24	1.14	2.67	1.40	2.00	0.31	0.27	0.30	0.27
PC(16:0/16:0)	ME1091967	1.26	1.91	1.21	1.34	0.59	0.24	0.04	0.14	0.42	1.22	1.40	1.66	1.72	0.82	0.75	0.37	0.65
17-Hydroxyprogesterone	ME1091804	1.86	1.86	1.83	1.97	0.39	0.42	0.49	0.33	0.37	1.33	1.72	1.49	1.36	0.34	0.32	0.37	0.36
Mevalonic acid	ME1091946	1.99	1.50	1.66	1.73	0.62	0.50	0.29	0.39	0.43	1.61	1.60	1.62	1.38	0.57	0.23	0.36	0.25
Pyroglutamic acid	ME1091985	1.56	1.70	1.46	1.38	0.85	0.47	0.32	0.80	0.55	1.46	1.03	1.63	1.66	0.71	0.27	0.58	0.20
Melatonin	ME1091943	1.51	1.45	1.48	1.49	0.57	0.41	0.42	0.52	0.51	1.70	1.41	1.77	1.52	0.54	0.39	0.44	0.50
Tryptophanol	ME1092002	1.31	1.43	1.40	1.37	0.27	0.58	0.25	0.28	0.34	1.93	1.42	1.60	1.63	0.27	0.38	0.69	0.35
L-Valine	ME1091936	1.37	1.16	0.94	0.66	0.84	0.51	0.48	0.40	0.56	1.70	1.99	1.01	1.73	0.94	0.78	0.70	1.04
Saccharopine	ME1091989	1.55	0.71	1.10	1.29	0.50	0.39	0.44	0.42	0.47	1.27	2.23	1.62	2.64	0.47	0.56	0.45	0.54
Cyclic AMP	ME1091865	0.97	1.35	0.93	0.93	0.38	0.57	0.60	0.50	0.48	1.87	2.42	2.36	1.80	0.42	0.92	0.55	0.56
Guanosine	ME1091901	1.15	1.26	1.17	0.87	0.10	0.35	0.37	0.25	0.18	1.75	2.10	1.91	2.05	0.26	1.01	0.35	1.47
S-Adenosylhomocysteine	ME1091988	1.13	1.29	1.15	0.82	0.18	NA	0.69	0.39	0.32	1.42	1.67	2.18	2.31	0.21	0.65	0.37	0.95
Indole	ME1091910	1.49	1.48	1.49	1.00	0.36	0.30	0.27	0.32	0.25	1.69	2.32	1.77	1.65	0.57	0.61	0.53	0.65
2-Hydroxyadenine	ME1091809	1.19	1.31	1.35	1.10	0.46	0.30	0.69	0.58	0.34	1.51	1.59	1.83	1.52	0.57	0.72	0.41	0.99
Tiglylglycine	ME1091998	1.18	0.90	1.14	1.12	0.61	0.42	0.64	0.63	0.66	1.47	1.68	1.58	1.89	0.58	0.75	0.57	0.73
Glycine	ME1091895	1.15	1.52	1.34	1.09	0.31	NA	0.70	0.83	0.58	1.23	0.76	1.26	1.46	0.00	0.02	0.45	0.58
Nicotinuric acid	ME1091957	1.00	1.04	1.14	1.09	0.56	NA	1.07	1.23	0.98	0.90	1.03	1.02	1.22	NA	0.27	0.53	0.99
3-Hydroxymethylglutaric acid	ME1091819	1.53	1.10	1.50	0.96	0.93	0.14	1.16	1.34	0.72	0.69	1.14	1.35	0.77	1.08	0.42	0.79	0.57
7,8-Dihydrobiopterin	ME1091836	1.27	1.04	1.43	1.74	0.42	0.25	0.46	0.46	0.52	0.55	1.50	1.53	1.01	0.86	1.38	1.06	0.85
5-Phenylvaleric acid	ME1091834	1.19	1.22	1.80	1.56	0.68	0.51	0.69	0.85	0.81	1.07	2.12	1.05	1.13	0.45	0.66	0.57	0.50
Uridine	ME1092007	1.95	1.40	1.01	1.52	0.15	0.89	0.91	0.65	0.49	1.26	1.38	1.32	1.49	0.75	0.56	0.59	0.77
4-Aminohippuric acid	ME1091825	1.36	1.23	1.22	1.91	0.83	1.58	0.93	0.58	1.20	0.98	0.76	1.14	1.20	0.64	0.65	0.65	0.67
Succinylacetone	ME1091996	1.11	1.39	1.66	1.58	0.84	0.97	0.84	0.69	0.71	1.14	0.85	1.06	1.03	0.69	0.87	0.83	0.78
Glycerol	ME1091893	1.39	1.30	1.41	1.34	0.81	0.92	0.76	0.71	0.56	1.32	1.35	1.28	1.31	0.68	0.51	0.78	0.70
Stearic acid	ME1091995	1.74	1.03	1.22	1.28	0.90	0.74	0.77	0.80	0.77	0.99	1.16	1.07	0.96	0.83	0.71	0.94	0.89
Pyridoxamine	ME1091983	NA	NA	NA	NA	1.85	0.19	0.13	0.16	1.95	NA	NA	NA	NA	0.19	1.94	0.26	0.18
5-Methylcytidine	ME1091833	NA	NA	NA	NA	0.59	0.44	0.32	0.42	0.38	NA	NA	NA	NA	2.71	0.71	1.40	1.02
L-Dopa	ME1091925	NA	NA	NA	NA	0.54	0.50	0.44	0.60	0.65	NA	NA	NA	NA	2.96	1.02	0.68	0.66
L-Histidine	ME1091928	NA	NA	NA	NA	0.22	0.28	0.38	0.23	0.44	NA	NA	NA	NA	0.19	1.75	1.56	2.33
Deoxycytidine	ME1091872	NA	NA	NA	NA	0.22	0.28	0.18	0.31	0.14	NA	NA	NA	NA	0.96	1.94	2.07	1.95
N-Acetyl-L-phenylalanine	ME1091950	NA	NA	NA	NA	0.33	0.20	0.16	0.18	0.20	NA	NA	NA	NA	0.76	2.03	2.36	1.97
Glucosamine	ME1091889	NA	NA	NA	NA	0.75	1.40	1.26	0.69	0.94	NA	NA	NA	NA	0.36	2.52	0.47	0.91
Glycylproline	ME1091898	NA	NA	NA	NA	0.93	1.26	0.64	0.76	0.75	NA	NA	NA	NA	0.91	1.70	0.67	1.50
Creatinine	ME1091864	NA	NA	NA	NA	0.54	1.00	0.89	0.57	0.47	NA	NA	NA	NA	0.60	1.87	0.98	1.91
Deoxyinosine	ME1091874	NA	NA	NA	NA	0.32	0.77	0.73	0.65	0.46	NA	NA	NA	NA	0.48	2.20	0.81	1.61
FAD	ME1091882	NA	NA	NA	NA	0.35	0.63	0.62	0.63	0.36	NA	NA	NA	NA	0.53	2.66	0.80	1.97
N-Acetyl-D-glucosamine	ME1091948	NA	NA	NA	NA	0.36	0.29	0.82	0.35	0.64	NA	NA	NA	NA	0.67	2.84	0.94	1.46
DL-2-aminooctanoic acid	ME1091878	NA	NA	NA	NA	0.41	0.88	1.01	0.49	0.45	NA	NA	NA	NA	0.67	2.64	0.84	1.39
L-Carnitine	ME1091924	NA	NA	NA	NA	0.38	0.93	0.90	0.59	0.58	NA	NA	NA	NA	0.43	2.84	0.81	1.47
Gamma-Glutamylcysteine	ME1091886	NA	NA	NA	NA	1.05	2.05	2.26	1.24	1.44	NA	NA	NA	NA	1.43	0.20	0.20	0.21
3-Aminoisobutanoic acid	ME1091817	NA	NA	NA	NA	0.77	2.04	1.76	1.09	1.17	NA	NA	NA	NA	0.56	1.10	0.82	0.68
Adenosine triphosphate	ME1091845	NA	NA	NA	NA	0.97	1.81	2.01	1.54	1.00	NA	NA	NA	NA	0.47	0.79	0.51	0.60
Norepinephrine	ME1091958	NA	NA	NA	NA	0.94	0.10	2.23	1.63	1.17	NA	NA	NA	NA	0.14	1.10	0.55	0.37
o-Cresol	ME1091961	NA	NA	NA	NA	1.09	0.03	1.11	1.59	1.10	NA	NA	NA	NA	0.03	2.03	0.90	0.21
Pyridoxal 5^-phosphate	ME1091982	NA	NA	NA	NA	0.79	0.29	1.19	1.39	1.00	NA	NA	NA	NA	0.66	1.55	0.84	0.69
Guanidinosuccinic acid	ME1091899	NA	NA	NA	NA	1.59	0.20	1.05	1.52	0.95	NA	NA	NA	NA	0.57	1.02	0.54	0.21
Isovalerylglycine	ME1091917	NA	NA	NA	NA	1.47	1.02	1.11	1.72	0.80	NA	NA	NA	NA	0.66	0.93	0.71	0.60
Senecioic acid	ME1091991	NA	NA	NA	NA	1.30	1.05	1.08	1.67	1.21	NA	NA	NA	NA	0.51	0.89	0.88	0.45
2-Phenylglycine	ME1091814	NA	NA	NA	NA	0.60	1.20	1.23	1.21	0.77	NA	NA	NA	NA	0.73	1.22	1.18	1.09
17-Epiestriol	ME1091803	NA	NA	NA	NA	0.64	1.65	1.20	1.31	1.13	NA	NA	NA	NA	0.68	1.14	0.76	1.04
Glycocholic acid	ME1091896	NA	NA	NA	NA	0.96	1.42	1.22	1.46	0.98	NA	NA	NA	NA	0.67	1.03	0.97	0.58
Guanosine 5^-triphosphate	ME1091903	NA	NA	NA	NA	1.12	0.78	1.08	0.96	0.80	NA	NA	NA	NA	0.88	0.93	1.61	0.44
Acrylamide	ME1091841	NA	NA	NA	NA	1.21	0.74	0.68	1.37	0.48	NA	NA	NA	NA	1.06	1.06	1.26	0.86
Methyl propenyl ketone	ME1091945	NA	NA	NA	NA	1.13	0.45	0.38	1.58	0.82	NA	NA	NA	NA	0.83	0.97	1.34	1.04
Pregnenolone sulfate	ME1091978	NA	NA	NA	NA	0.95	1.13	1.09	1.33	1.06	NA	NA	NA	NA	0.99	1.03	0.67	0.83
Urea	ME1092004	NA	NA	NA	NA	0.95	1.20	0.87	1.62	1.02	NA	NA	NA	NA	0.87	0.81	0.97	0.85
Quinone	ME1091987	NA	NA	NA	NA	0.99	0.81	0.75	1.22	1.18	NA	NA	NA	NA	0.81	1.02	1.00	1.02
Mesoporphyrin IX	ME1091944	NA	NA	NA	NA	0.98	0.94	0.96	1.10	1.10	NA	NA	NA	NA	1.06	0.94	1.00	0.85
Pyrocatechol	ME1091984	NA	NA	NA	NA	0.96	0.80	0.75	1.33	0.98	NA	NA	NA	NA	1.05	1.01	1.07	0.84
Ketoleucine	ME1091919	NA	NA	NA	NA	1.30	1.06	0.94	1.17	0.88	NA	NA	NA	NA	1.15	0.66	1.10	0.91
Gamma-Caprolactone	ME1091885	NA	NA	NA	NA	1.17	1.06	0.97	1.08	0.95	NA	NA	NA	NA	0.84	1.08	0.93	0.98
Dehydroepiandrosterone	ME1091869	NA	NA	NA	NA	1.28	1.03	0.91	1.35	0.98	NA	NA	NA	NA	0.85	1.09	0.99	0.61
Epitestosterone	ME1091880	NA	NA	NA	NA	1.21	1.06	0.81	1.29	0.98	NA	NA	NA	NA	0.99	0.80	0.96	0.75
N-Acetylputrescine	ME1091952	NA	NA	NA	NA	1.29	1.18	0.97	1.29	1.02	NA	NA	NA	NA	0.76	0.81	0.97	0.82
5-Aminopentanoic acid	ME1091829	NA	NA	NA	NA	1.24	0.83	0.79	0.88	0.77	NA	NA	NA	NA	0.82	1.27	1.07	1.16
Deoxycorticosterone	ME1091871	NA	NA	NA	NA	0.73	0.61	0.78	0.86	1.09	NA	NA	NA	NA	1.05	1.09	1.25	1.12
Dimethylprotoporphyrin IX dimethyl ester	ME1091877	NA	NA	NA	NA	1.05	0.78	0.74	0.89	0.97	NA	NA	NA	NA	1.32	0.98	1.03	1.04
Deoxyguanosine	ME1091873	NA	NA	NA	NA	0.74	0.03	1.04	0.96	0.80	NA	NA	NA	NA	0.63	1.38	0.84	1.69
Trans-Cinnamic acid	ME1091999	NA	NA	NA	NA	0.81	0.47	0.48	0.66	0.50	NA	NA	NA	NA	1.36	1.37	1.30	1.53
7-Methylguanosine	ME1091839	NA	NA	NA	NA	0.61	0.53	0.77	1.00	0.39	NA	NA	NA	NA	1.28	1.20	1.53	1.34
Chenodeoxycholic acid	ME1091858	NA	NA	NA	NA	0.49	0.47	0.73	0.73	0.70	NA	NA	NA	NA	1.28	1.13	1.60	1.66
Glycerophosphocholine	ME1091894	0.12	0.08	0.08	0.11	2.57	1.57	1.73	1.22	1.77	0.26	0.10	0.14	0.17	2.76	0.58	1.45	1.68
D-Alanine	ME1091868	0.53	0.15	0.60	0.11	1.48	0.73	0.81	1.57	0.54	0.42	0.12	0.55	0.13	2.38	1.20	2.53	2.35
L-Phenylalanine	ME1091932	0.21	0.20	0.17	0.18	1.16	0.97	0.98	1.04	0.80	0.18	0.41	0.21	0.24	2.55	2.19	2.21	2.93
3-Methylindole	ME1091821	0.33	0.31	0.32	0.24	1.40	0.95	1.13	1.49	1.04	0.41	0.60	0.42	0.34	1.99	2.01	1.87	1.85
o-Tyrosine	ME1091962	0.54	0.60	0.44	0.47	1.06	0.57	0.59	0.94	0.81	0.48	1.00	0.82	0.74	2.58	1.91	1.64	2.17
7-Ketocholesterol	ME1091837	0.35	0.57	0.63	0.65	0.75	0.33	NA	0.59	0.74	0.65	1.12	0.80	1.08	1.77	1.64	1.94	1.21
Adenosine 3^,5^-diphosphate	ME1091843	0.59	0.19	0.28	0.18	0.38	0.15	0.41	0.53	0.53	0.93	1.28	1.88	1.43	1.38	2.72	1.60	1.50
L-Tyrosine	ME1091935	0.95	1.20	1.20	0.67	0.19	0.28	0.31	0.22	0.22	1.64	0.97	1.22	1.58	0.23	3.10	0.45	2.18
Creatine	ME1091863	0.32	0.68	0.32	0.37	0.39	1.16	NA	0.44	0.39	0.27	0.92	0.32	0.71	0.57	3.01	1.74	3.10
Guanine	ME1091900	0.77	0.95	0.80	0.75	0.41	0.86	0.97	0.76	0.60	0.54	0.76	0.88	0.70	0.84	1.87	0.86	3.43
7-Methylguanine	ME1091838	0.51	0.37	0.35	0.35	0.60	0.34	0.81	0.68	0.61	1.27	0.69	0.83	1.06	0.62	3.54	0.68	2.87
Inosine	ME1091912	0.66	0.72	0.68	0.51	0.33	0.85	0.96	0.74	0.61	0.51	0.91	0.93	0.75	0.58	3.07	1.20	2.75
L-Aspartyl-L-phenylalanine	ME1091923	0.62	0.80	0.69	0.63	0.78	0.69	0.53	0.69	0.75	0.76	0.86	0.99	0.92	0.67	3.36	0.68	1.91
Aspartame	ME1091853	0.39	0.91	0.46	0.36	0.68	0.62	0.67	0.88	0.77	0.43	1.41	1.03	1.15	0.64	2.81	0.91	2.50
Glycyl-L-leucine	ME1091897	0.43	0.87	0.46	0.46	0.76	0.40	1.07	1.28	0.73	0.38	1.35	1.09	1.18	0.81	2.92	0.61	1.79
Nutriacholic acid	ME1091960	0.62	0.87	1.39	2.16	0.43	0.49	0.41	0.51	0.44	0.63	0.81	1.01	0.88	1.91	0.58	1.35	1.59
5-Methoxytryptophol	ME1091832	1.41	1.44	1.39	1.89	0.43	1.43	0.50	1.14	1.37	0.34	1.86	0.36	0.61	1.02	0.81	0.90	0.74
2-Pyrrolidinone	ME1091815	0.51	0.54	0.48	0.37	1.58	1.53	1.38	1.32	1.37	0.61	0.49	0.50	0.45	1.32	1.28	1.23	1.25
2-Phenylbutyric acid	ME1091813	0.47	0.55	0.47	0.48	1.44	1.51	1.25	2.13	1.40	0.36	0.43	0.41	0.39	1.62	1.64	1.27	1.27
2-Ethyl-2-hydroxybutyric acid	ME1091808	0.43	0.39	0.38	0.42	1.62	1.70	1.55	1.95	1.63	0.25	0.29	0.37	0.31	1.34	1.69	1.45	1.57
Diacetyl	ME1091876	0.52	0.55	0.51	0.51	1.42	1.60	1.38	1.78	1.46	0.43	0.45	0.53	0.45	1.28	1.61	1.37	1.46
Indoleacetic acid	ME1091911	0.32	0.82	0.81	0.60	1.09	1.59	1.33	1.74	1.18	0.32	0.84	0.56	0.60	0.34	2.37	1.36	1.60
5^-Methylthioadenosine	ME1091827	0.50	0.42	0.52	0.34	0.97	1.16	1.16	1.14	1.10	0.72	0.52	0.50	0.75	0.86	2.02	2.18	2.05
Adenine	ME1091842	0.50	0.39	0.49	0.34	0.98	1.15	1.09	1.09	1.11	0.71	0.49	0.49	0.76	0.84	2.12	2.37	1.96
Cytidine monophosphate	ME1091866	0.64	0.82	0.69	0.69	1.01	0.52	1.11	1.01	0.87	2.02	0.92	0.79	2.08	1.29	1.07	0.81	1.03
Oleanolic acid	ME1091963	1.04	0.80	0.64	0.80	1.32	0.30	1.15	1.21	2.23	0.46	0.61	0.48	0.60	0.88	0.77	1.30	1.10
Thymidine	ME1091997	0.90	1.54	0.99	0.82	0.93	1.95	1.26	1.66	1.18	0.31	1.00	0.37	1.00	1.13	1.13	0.86	0.94
3a,6b,7b-Trihydroxy-5b-cholanoic acid	ME1091823	0.59	0.59	0.62	0.50	2.05	1.17	1.26	0.80	0.90	0.82	0.69	0.69	0.87	1.05	2.31	0.96	1.11
Guanosine 5^-diphosphate	ME1091902	0.50	0.57	0.42	0.67	0.70	1.59	2.14	1.60	0.92	0.36	0.82	0.90	0.69	1.11	1.90	1.33	1.23
Agmatine	ME1091847	0.78	0.44	0.60	0.69	1.10	1.00	1.84	0.89	1.01	1.05	0.72	0.91	0.95	1.20	1.39	0.98	1.29
5-Hydroxy-L-tryptophan	ME1091830	0.41	0.46	0.45	0.43	1.12	1.26	1.01	1.35	0.86	0.59	1.01	1.21	1.29	1.00	2.00	1.45	1.24
Flavin mononucleotide	ME1091883	0.62	0.43	0.53	0.50	1.03	0.94	1.44	1.14	0.85	0.77	1.04	1.13	1.34	0.98	1.59	1.06	1.30
DL-Homocystine	ME1091879	0.91	1.04	1.15	0.77	0.54	0.61	1.50	0.74	0.84	0.42	0.97	1.14	0.69	0.58	1.99	1.15	1.34
L-Arginine	ME1091921	0.70	0.75	0.72	0.52	0.79	NA	0.67	0.74	0.85	1.16	1.17	1.24	1.17	1.03	1.67	1.22	1.64
L-Leucine	ME1091930	0.84	0.91	0.80	0.54	0.93	NA	1.15	1.18	0.68	1.00	0.90	0.82	0.96	0.94	2.06	1.02	1.33
Niacinamide	ME1091956	0.86	1.18	0.95	0.74	0.76	0.35	0.45	0.50	0.71	0.52	0.96	1.23	0.61	1.37	1.76	1.58	1.46
Traumatic acid	ME1092000	0.84	0.89	1.01	0.78	0.88	0.73	0.83	0.96	0.75	0.73	0.88	0.87	0.94	1.49	0.68	1.76	1.59
Glutaric acid	ME1091891	0.75	0.78	0.75	0.71	0.52	0.65	1.01	0.91	1.00	0.83	0.93	0.97	0.96	1.56	1.42	1.32	1.57
Sphingosine	ME1091994	0.72	0.93	0.84	0.78	0.75	0.74	0.77	0.91	0.87	0.54	1.07	1.40	1.01	1.06	1.31	1.69	1.33
Ethanolamine	ME1091881	0.67	1.04	0.78	0.87	1.05	0.89	0.87	1.29	1.10	0.47	1.63	0.50	0.64	1.12	1.86	0.89	1.50
Adipic acid	ME1091846	0.93	0.94	0.93	0.76	1.03	0.18	1.16	1.08	1.19	1.30	1.28	1.19	0.88	0.78	1.01	0.91	0.88
11a-Hydroxyprogesterone	ME1091802	1.13	1.00	1.07	1.18	0.97	0.47	0.66	0.88	0.99	0.94	1.09	0.99	0.97	1.02	1.00	1.13	1.02
Benzenebutanoic acid	ME1091854	1.05	1.19	1.11	1.21	0.99	NA	0.76	0.87	0.98	1.05	1.18	0.98	0.89	0.94	0.91	0.95	0.99
Glucosamine 6-sulfate	ME1091890	0.95	0.85	0.79	0.66	0.75	NA	1.01	1.09	1.35	0.96	1.00	1.06	1.10	1.51	1.06	1.18	1.13
N-Acetylserotonin	ME1091953	0.82	1.10	0.90	1.04	1.03	NA	0.97	1.60	1.18	0.85	1.04	0.85	0.74	1.41	0.88	0.99	0.84
3-Methyl-2-oxovaleric acid	ME1091820	0.73	0.62	0.84	0.55	1.64	0.79	0.88	1.06	1.39	1.27	0.66	1.01	0.90	0.65	1.30	1.15	1.02
2,3-Butanediol	ME1091806	0.63	0.89	0.88	0.82	1.45	1.77	1.26	1.39	1.10	0.54	0.81	0.68	0.65	1.26	1.23	1.10	1.16
Myristic acid	ME1091947	0.56	0.83	0.79	0.68	1.39	1.48	1.32	1.53	1.40	0.46	0.81	0.64	0.61	1.15	1.41	1.27	0.99
Propanal	ME1091979	0.71	0.87	0.90	0.91	1.00	1.21	1.17	1.31	1.19	0.73	0.63	0.86	0.60	1.04	1.35	1.26	1.20
Isobutyric acid	ME1091914	0.68	0.82	0.60	0.89	1.25	1.36	1.18	1.55	1.28	0.82	0.58	0.86	0.73	1.02	1.29	1.13	1.17
2-Hydroxycaproic acid	ME1091810	0.72	0.64	0.64	0.72	1.36	1.07	1.20	1.30	1.19	0.92	0.66	0.90	0.86	1.06	1.21	1.32	1.14
Androsterone	ME1091852	0.73	0.71	0.62	0.73	1.29	1.31	1.26	1.26	1.25	0.71	0.72	0.72	0.73	1.25	1.30	1.28	1.25
Aldosterone	ME1091848	1.02	1.03	0.61	0.98	1.71	1.37	1.34	1.27	1.49	0.62	0.90	0.76	0.86	0.84	0.85	0.71	0.88
N-Acetyl-L-alanine	ME1091949	0.92	0.87	0.72	0.83	1.33	1.00	1.50	1.34	1.25	0.60	0.99	0.75	0.84	0.93	1.17	1.01	0.97
L-Norleucine	ME1091931	0.79	1.15	1.01	0.97	0.93	0.92	1.02	0.98	0.79	0.65	0.84	0.75	0.63	1.16	1.51	1.32	1.52
Phosphoric acid	ME1091974	0.86	1.45	1.07	1.25	0.87	1.16	0.85	1.20	0.93	0.56	0.95	0.65	0.73	1.14	1.26	1.40	0.90
3b-Hydroxy-5-cholenoic acid	ME1091824	0.82	1.20	1.38	0.97	1.05	0.79	0.92	1.25	1.04	0.93	1.04	0.92	0.97	1.03	1.05	0.91	0.63
Phosphorylcholine	ME1091975	0.82	1.37	1.34	1.14	0.99	1.12	1.10	1.23	0.97	0.70	1.04	0.73	0.87	0.88	0.99	1.01	0.92
Acetic acid	ME1091840	1.02	1.07	0.97	0.96	0.96	1.28	0.92	1.36	0.68	0.72	1.30	0.88	1.14	1.09	0.85	1.05	1.08
2,2-Dimethylsuccinic acid	ME1091805	0.95	1.00	0.82	0.99	1.03	0.97	0.98	1.27	0.96	0.75	1.26	0.86	1.12	1.02	1.00	1.03	1.03
3-Hexenedioic acid	ME1091818	0.91	0.99	0.86	0.89	1.07	1.05	0.93	1.17	0.99	0.70	1.30	0.94	1.06	1.06	1.04	1.08	1.02
Phenylpropanolamine	ME1091973	0.89	0.79	0.88	0.76	1.19	1.22	0.88	1.13	1.11	1.08	0.76	0.98	1.01	1.09	1.00	1.09	1.20
p-Octopamine	ME1091965	0.93	0.85	0.87	0.84	1.57	0.95	0.95	0.94	1.13	1.02	0.68	0.81	0.85	1.17	1.11	1.02	1.15
Allantoin	ME1091850	0.90	0.91	1.00	0.93	1.12	0.92	1.18	1.00	0.96	0.87	0.76	0.89	0.72	1.17	1.20	1.18	1.17
Perillic acid	ME1091969	1.00	1.13	0.77	0.91	0.99	1.00	1.04	1.03	1.04	1.01	0.98	1.00	1.02	1.01	1.06	1.04	0.97
3-Phenylbutyric acid	ME1091822	0.94	1.01	0.76	0.99	1.06	1.06	1.02	1.05	1.02	0.92	0.97	0.95	0.95	1.06	1.08	1.10	1.11
Phenylacetaldehyde	ME1091971	0.88	0.95	0.99	0.94	1.05	1.05	1.07	1.09	1.04	0.89	0.93	0.95	0.91	1.05	1.06	1.05	1.10
Hydroxyoctanoic acid	ME1091907	1.02	1.05	1.02	0.96	1.12	1.09	1.10	1.17	1.06	0.81	0.82	1.05	0.86	1.05	0.94	0.91	1.01
Pyruvaldehyde	ME1091986	1.04	1.05	0.98	1.08	1.11	1.09	0.97	1.09	1.04	0.87	0.99	1.00	0.90	0.87	1.05	0.96	1.01
Butanone	ME1091857	0.87	1.14	1.03	1.08	1.06	1.24	0.94	1.22	1.02	0.81	1.05	0.92	0.82	0.90	1.14	0.98	1.03
2-Ketohexanoic acid	ME1091812	0.91	1.19	1.00	1.03	1.05	1.11	1.02	1.25	1.04	0.78	1.01	0.91	0.84	0.87	1.13	0.97	1.03
Pregnenolone	ME1091977	0.90	1.11	1.01	1.07	1.06	1.10	1.00	1.17	1.05	0.79	1.03	0.98	0.80	0.91	1.10	1.01	1.04
2,5-Furandicarboxylic acid	ME1091807	0.94	0.95	1.07	0.82	1.04	1.22	1.12	1.29	1.16	0.96	0.77	0.92	0.87	0.98	1.12	1.00	0.93
Sebacic acid	ME1091990	0.94	0.86	0.79	0.95	1.30	1.36	1.18	1.23	1.11	0.86	0.80	0.97	0.87	1.05	1.17	0.87	0.98
Isocaproic acid	ME1091915	0.93	1.07	1.00	1.01	1.15	1.36	1.12	1.25	1.07	0.70	0.77	0.86	0.79	1.12	0.98	1.02	1.10
Hydroxyisocaproic acid	ME1091906	0.97	0.85	0.89	0.87	1.23	1.16	1.14	1.28	1.13	0.78	0.71	0.94	0.79	1.13	1.02	1.08	1.09
Leucinic acid	ME1091937	0.93	0.88	0.89	0.95	1.25	1.38	1.10	1.25	1.11	0.79	0.74	0.91	0.79	1.16	1.01	1.03	1.07
Gamma-terpinene	ME1091887	1.19	0.95	0.87	0.94	0.80	1.05	0.81	1.24	1.08	1.14	1.44	1.12	1.10	0.55	1.29	0.90	0.54
Biocytin	ME1091856	1.31	1.09	1.17	0.87	0.96	1.28	0.70	0.80	1.02	1.34	0.99	1.11	1.01	0.94	1.04	0.81	1.00
Cholic acid	ME1091859	1.23	1.41	1.17	1.15	0.96	0.86	0.88	1.05	0.94	1.24	1.11	1.16	1.09	0.76	0.77	0.65	0.65
Hyodeoxycholic acid	ME1091908	0.81	0.78	1.29	1.23	1.00	0.86	0.95	1.23	0.94	1.02	1.14	1.33	1.17	0.80	0.95	0.78	0.62
2-Hydroxyphenethylamine	ME1091811	1.00	0.91	1.08	1.02	1.03	0.72	0.82	1.01	0.94	1.25	1.01	1.15	1.22	0.97	0.67	0.91	1.00
Androstenedione	ME1091851	1.07	0.72	1.09	1.23	1.05	1.07	0.96	1.06	0.88	1.06	1.16	0.94	1.05	0.91	0.97	1.03	0.80
3,4-Dihydroxymandelic acid	ME1091816	1.13	1.00	1.05	1.12	0.99	1.01	1.00	1.04	0.98	1.14	0.99	1.19	1.04	0.80	0.98	0.83	0.73
Homocitrulline	ME1091905	1.19	1.01	1.00	1.08	0.89	0.91	0.85	0.91	0.90	1.22	1.13	1.27	0.97	0.93	0.88	0.91	0.94
5-Aminolevulinic acid	ME1091828	0.84	0.68	0.78	0.70	2.66	1.35	1.59	1.42	1.25	1.07	0.94	0.81	0.89	0.36	0.70	0.53	0.35
Cortisol	ME1091862	1.02	0.49	0.29	0.77	1.29	1.67	1.82	1.07	1.24	1.37	0.98	1.27	1.10	0.75	0.84	0.63	0.96
Medroxyprogesterone	ME1091942	0.94	0.57	0.49	0.69	1.00	1.69	2.25	1.16	1.10	1.51	0.97	1.22	1.17	0.58	0.77	0.72	0.71
L-Glutamic acid	ME1091926	0.36	0.74	0.41	0.48	0.91	2.78	2.46	1.39	1.25	0.46	1.16	1.03	1.10	0.67	1.58	0.97	0.88
Linoleic acid	ME1091938	0.70	0.58	0.59	0.63	1.03	2.19	2.37	1.78	1.46	0.89	0.89	0.86	0.97	0.63	1.12	0.80	0.59
L-Acetylcarnitine	ME1091920	0.03	0.03	0.03	0.02	1.29	1.32	2.33	1.79	1.34	0.04	0.03	0.04	0.03	1.00	3.94	2.01	1.68
Trimethylamine	ME1092001	0.17	0.11	0.14	0.11	0.95	1.58	2.31	1.49	1.16	0.15	0.43	0.20	0.26	0.70	3.93	1.79	1.82
Hypoxanthine	ME1091909	0.04	0.04	0.04	0.03	0.76	1.64	1.83	1.52	1.30	0.02	0.04	0.04	0.03	1.17	3.37	1.99	3.32
Glutathione	ME1091892	0.03	0.03	0.02	0.06	0.77	2.33	2.63	1.62	1.75	0.04	0.13	0.07	0.16	1.48	2.58	1.60	2.60
Pyridine	ME1091981	0.23	0.32	0.26	0.24	0.85	2.50	2.00	1.34	1.11	0.26	0.60	0.47	0.41	0.91	2.41	1.26	2.77
N6-Acetyl-L-lysine	ME1091954	NA	NA	NA	NA	0.51	0.36	0.59	0.50	0.60	NA	NA	NA	NA	0.40	4.32	0.72	0.80
Benzoic acid	ME1091855	0.35	0.49	0.40	0.27	1.56	NA	1.70	2.21	1.40	0.56	0.34	0.43	0.57	0.03	3.30	0.84	0.66
m-Coumaric acid	ME1091939	0.34	0.47	0.40	0.28	1.41	0.01	1.68	2.23	1.58	0.50	0.32	0.35	0.43	0.01	3.13	1.12	1.80

Factors:

F1	Sample source:Breast cancer cells \| Treatment:12 BT combination \| Treatment duration:12h
F2	Sample source:Breast cancer cells \| Treatment:12 BT control \| Treatment duration:12h
F3	Sample source:Breast cancer cells \| Treatment:12 BT Q11 \| Treatment duration:12h
F4	Sample source:Breast cancer cells \| Treatment:12 BT Q13 \| Treatment duration:12h
F5	Sample source:Breast cancer cells \| Treatment:12 MDA combination \| Treatment duration:12h
F6	Sample source:Breast cancer cells \| Treatment:12 MDA control \| Treatment duration:12h
F7	Sample source:Breast cancer cells \| Treatment:12 MDA Control \| Treatment duration:12h
F8	Sample source:Breast cancer cells \| Treatment:12 MDA Q11 \| Treatment duration:12h
F9	Sample source:Breast cancer cells \| Treatment:12 MDA Q13 \| Treatment duration:12h
F10	Sample source:Breast cancer cells \| Treatment:48 BT combination \| Treatment duration:48h
F11	Sample source:Breast cancer cells \| Treatment:48 BT control \| Treatment duration:48h
F12	Sample source:Breast cancer cells \| Treatment:48 BT Q11 \| Treatment duration:48h
F13	Sample source:Breast cancer cells \| Treatment:48 BT Q13 \| Treatment duration:48h
F14	Sample source:Breast cancer cells \| Treatment:48 MDA combination \| Treatment duration:48h
F15	Sample source:Breast cancer cells \| Treatment:48 MDA control \| Treatment duration:48h
F16	Sample source:Breast cancer cells \| Treatment:48 MDA Q11 \| Treatment duration:48h
F17	Sample source:Breast cancer cells \| Treatment:48 MDA Q13 \| Treatment duration:48h

Data matrix