Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000721)

(Analysis AN001127)

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
BUTYRYLCARNITINE (*) (M+H)+	ME202511	NA	NA	NA	0.59	0.43	0.73	0.64	0.88	0.69	0.95	0.94	0.81	1.60	0.54	0.88	0.25	0.55	0.55	1.10	2.07	1.93	0.64	1.11	1.50	0.70	1.08	0.64	1.04	0.64	0.96	1.18	0.89	0.93	1.26
OCTENOYLCARNITINE (*) M+	ME202559	NA	NA	NA	1.05	0.80	1.05	1.18	0.31	0.59	0.39	0.09	0.86	0.54	0.19	0.55	0.29	0.65	0.93	1.77	3.22	0.64	0.56	1.07	2.57	0.53	0.86	1.82	1.37	0.66	1.42	1.04	0.77	1.62	0.78
CARNITINE (M+H)+	ME202513	NA	NA	NA	0.03	0.64	0.06	1.08	0.92	0.26	0.11	0.01	0.21	0.66	0.52	0.35	1.30	1.34	1.08	0.34	0.51	1.77	1.45	0.45	0.55	2.05	1.44	1.33	0.38	1.33	0.94	1.16	1.13	0.82	0.48
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]	ME202496	NA	NA	NA	0.29	NA	0.33	NA	0.32	0.45	NA	NA	0.82	0.84	NA	0.82	NA	0.29	NA	0.63	NA	0.31	0.25	0.61	2.13	0.30	0.35	2.16	0.49	5.69	6.21	0.52	0.45	0.29	0.49
LAUROYLCARNITINE (M+H)+	ME202552	NA	NA	NA	1.11	0.27	0.40	0.48	0.43	1.78	NA	0.24	1.17	0.78	0.15	1.04	NA	0.42	0.68	1.44	0.67	0.23	0.22	0.40	2.17	1.68	1.71	1.26	0.86	0.56	0.86	0.82	1.61	0.49	0.75
HOMOGENTISIC ACID (M+H)+	ME202539	NA	NA	NA	1.89	0.47	4.00	0.36	0.79	0.52	0.58	0.50	1.88	1.05	2.20	0.76	1.04	1.28	0.74	0.63	0.44	0.96	0.57	1.18	0.84	1.40	1.06	0.71	0.84	1.13	0.86	1.16	0.69	0.97	0.88
ISO-BUTYRYLCARNITINE (*) (M+H)+	ME202542	NA	NA	NA	0.77	0.86	0.43	0.42	0.44	0.59	0.42	0.41	1.00	1.74	0.58	0.87	0.55	0.78	0.85	0.86	1.46	1.80	0.95	1.21	1.41	0.81	0.82	0.91	1.41	0.76	1.29	1.00	0.80	1.29	0.74
THEOBROMINE (M+H)+	ME202584	NA	NA	NA	0.66	1.16	0.72	0.23	0.76	0.07	0.66	0.81	1.22	1.36	0.11	0.46	1.81	2.17	1.74	0.83	0.59	0.17	2.22	0.91	0.57	0.62	1.27	1.45	1.00	1.95	0.90	0.74	0.89	0.69	0.54
PROLINE (M+H)+	ME202572	NA	NA	NA	1.20	2.08	0.62	0.81	2.21	0.99	NA	NA	0.62	0.43	NA	1.91	1.10	1.16	NA	1.21	0.95	0.95	1.08	0.66	1.01	0.87	1.24	0.94	0.75	1.20	0.63	0.77	1.12	0.66	0.93
N-ACETYL-L-ALANINE (M+NA)+	ME202557	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.17	0.66	0.41	0.08	NA	0.90	NA	0.64	0.31	NA	NA	1.00	NA	0.20	NA	0.20	2.86	NA	0.36	1.71	4.27	0.75	0.06	NA	0.22
KYNURENIC ACID (M+H)+	ME202546	NA	NA	NA	0.48	0.35	0.31	0.19	0.44	0.63	0.86	0.94	0.70	0.66	NA	0.58	0.37	0.29	0.34	0.53	0.98	0.30	0.50	0.64	3.61	0.55	0.57	4.05	0.66	3.18	4.64	0.59	0.48	0.81	0.52
18:0 LYSO-PE (M+H)+	ME202493	NA	NA	NA	NA	NA	0.57	NA	0.68	0.76	0.88	1.07	1.01	1.07	0.80	0.94	0.78	0.87	0.92	1.26	0.91	0.92	0.82	1.31	1.06	1.20	0.97	1.05	0.94	0.78	0.86	1.12	1.02	0.63	1.00
DODECENOYLCARNITINE (*) II M+	ME202525	NA	NA	NA	1.87	0.16	1.94	1.08	0.39	1.17	0.57	0.16	1.57	0.41	0.19	0.66	0.10	1.28	0.80	0.54	0.88	5.19	0.39	1.66	1.20	0.86	0.94	1.25	0.69	0.91	0.61	1.26	0.61	0.74	0.62
EPIANDROSTERONE (M+H)+[-H2O]	ME202528	NA	NA	NA	NA	NA	NA	NA	0.57	0.48	NA	NA	1.01	0.69	NA	0.28	0.50	0.98	0.78	1.26	0.45	0.19	0.43	1.12	2.95	0.51	0.52	1.97	0.92	1.01	1.55	1.06	1.13	0.23	1.16
N-ACETYL-DL-SERINE (M+H)+[-H2O]	ME202556	NA	NA	NA	0.90	0.91	0.90	0.80	1.33	0.86	0.83	0.87	1.25	1.14	1.01	0.99	1.06	0.88	1.36	1.22	1.02	0.94	0.78	0.89	0.75	0.95	0.99	1.15	1.00	1.03	0.95	1.07	1.03	0.75	1.00
TRYPTOPHAN (M+H)+	ME202589	NA	NA	NA	0.88	1.19	0.84	1.13	0.91	0.99	0.95	1.07	0.96	1.22	0.97	1.04	1.14	0.90	0.95	1.04	1.02	0.91	1.15	1.00	0.90	1.01	1.01	0.86	1.07	0.88	1.05	0.94	1.07	0.88	1.04
STEAROYLCARNITINE (*) (M+H)+	ME202581	NA	NA	NA	0.92	0.33	1.33	1.36	2.30	1.16	1.13	0.88	1.55	0.89	1.03	1.10	0.43	0.98	0.90	0.99	0.78	0.95	0.73	1.10	1.41	1.17	0.83	0.93	0.94	0.75	0.72	1.13	0.87	0.85	0.90
1-METHYLADENOSINE (M+H)+	ME202487	NA	NA	NA	0.83	0.86	0.72	0.53	0.89	0.80	1.01	0.81	1.32	0.92	1.18	1.05	0.97	0.74	0.76	1.16	0.94	0.74	0.66	0.82	2.48	0.78	0.96	1.80	1.12	0.99	0.88	0.88	0.93	0.95	0.94
NICOTINAMIDE (M+H)+	ME202558	NA	NA	NA	NA	0.42	NA	0.65	NA	0.80	NA	NA	2.23	0.46	NA	0.44	0.69	0.63	NA	NA	0.67	1.12	0.69	2.24	0.63	0.56	0.64	0.54	0.63	0.59	0.67	1.39	2.31	0.62	0.38
VALINE (M+NA)+	ME202598	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.94	0.78	1.15	1.35	1.03	1.28	NA	0.84	0.89	NA	NA	0.47	1.14	0.96	NA	1.00	0.98	NA	0.88	1.01	1.05	0.97	1.10	0.95	0.95
THEOPHYLLINE (M+NA)+	ME202586	NA	NA	NA	0.74	0.67	NA	0.96	1.35	0.26	0.31	4.23	2.69	0.58	0.33	0.73	0.43	0.42	1.71	1.13	1.10	0.28	1.04	2.67	0.92	0.90	0.69	0.71	1.04	1.81	0.48	0.81	0.84	1.62	0.88
SEROTONIN (M+NA)+	ME202577	NA	NA	NA	NA	0.33	NA	NA	0.87	0.75	NA	NA	1.68	1.70	0.20	0.68	1.86	0.79	0.73	0.48	1.02	0.78	1.36	1.11	1.67	0.88	0.76	1.07	0.99	1.37	1.45	1.06	0.78	0.32	1.27
KYNURENINE (M+NA)+	ME202548	NA	NA	NA	0.94	1.18	0.67	0.87	0.90	1.89	NA	NA	2.06	1.67	NA	0.56	1.31	0.80	NA	1.32	1.18	0.78	0.92	1.06	1.01	0.61	0.79	0.93	1.23	0.83	0.67	0.96	1.16	0.88	0.71
ISOLEUCINE (M+NA)+	ME202544	NA	NA	NA	1.25	1.24	1.43	0.94	0.82	0.89	1.56	0.85	1.23	1.13	1.00	0.95	0.71	0.80	0.89	1.06	0.93	0.99	1.04	1.12	0.94	1.25	0.86	0.94	1.04	0.85	0.89	0.94	0.95	1.42	1.11
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]	ME202535	NA	NA	NA	NA	NA	0.39	0.83	0.19	0.47	0.03	0.02	0.78	0.71	0.02	0.03	NA	0.36	0.07	NA	0.38	0.80	0.87	1.10	4.09	0.75	0.34	2.70	0.63	0.27	0.12	0.83	1.75	3.80	1.20
HYPOXANTHINE (M+H)+	ME202541	NA	NA	NA	1.04	NA	1.72	0.99	0.99	NA	0.85	0.75	1.13	0.67	0.99	0.54	0.57	0.93	0.65	0.99	0.83	0.89	0.53	2.17	0.53	0.88	0.85	1.00	0.91	0.72	0.84	1.56	0.71	0.79	0.79
THREONINE (M+H)+[-H2O]	ME202587	NA	NA	NA	2.11	0.70	0.69	1.22	0.64	0.56	NA	0.79	0.99	1.05	0.20	0.50	1.15	1.22	1.04	0.87	0.77	0.75	1.01	0.78	1.24	0.80	1.09	0.86	1.34	0.82	0.73	0.89	1.31	1.18	0.97
PROPIONYLCARNITINE (*) (M+H)+	ME202573	NA	NA	NA	1.82	2.64	1.08	1.56	0.60	1.24	0.25	0.43	0.48	1.73	0.45	1.28	NA	0.96	0.57	0.86	1.34	1.48	1.38	1.02	1.10	0.49	0.70	1.31	1.70	0.49	0.61	1.00	0.71	1.31	0.78
ISOVALERYLCARNITINE (*) (M+H)+	ME202545	NA	NA	NA	0.86	1.15	0.31	0.34	0.75	1.11	0.82	0.77	1.00	1.95	0.46	1.19	0.81	0.68	0.62	0.98	1.37	0.43	0.77	1.11	0.94	0.95	0.70	1.39	1.43	0.64	0.74	1.25	0.94	1.08	1.29
PANTOTHENIC ACID (M+NA)+	ME202569	NA	NA	NA	0.54	0.43	0.51	0.70	0.61	0.70	1.52	1.42	2.56	1.43	0.71	1.40	0.54	0.90	0.68	0.88	0.65	0.53	0.79	1.22	0.89	0.69	0.89	0.67	1.03	1.18	0.77	1.36	0.94	1.23	0.85
ASPARAGINE (M+H)+	ME202508	NA	NA	NA	NA	NA	NA	NA	1.18	NA	0.81	0.61	1.40	1.41	1.55	1.36	0.62	0.78	0.85	NA	0.37	0.92	2.84	1.29	0.86	0.75	1.30	NA	1.41	0.65	1.34	0.63	0.55	2.66	0.42
SUCROSE (M+NA)+	ME202582	NA	NA	NA	0.34	0.27	0.15	NA	0.41	0.24	NA	1.38	0.89	1.32	0.36	0.68	0.89	4.08	1.14	0.32	0.27	0.23	0.41	0.57	3.46	2.77	0.64	0.97	0.73	1.38	2.65	0.70	0.58	3.11	0.77
CHOLINE PHOSPHATE (M+H)+	ME202516	NA	NA	NA	1.19	0.90	0.60	0.40	1.26	0.85	0.83	0.43	1.34	1.33	0.84	1.38	0.63	1.15	0.47	2.33	1.84	0.76	0.67	1.39	0.77	1.12	0.84	0.66	1.01	0.73	0.66	1.04	0.93	1.43	0.97
SPERMIDINE (M+H)+	ME202579	NA	NA	NA	0.52	0.70	0.62	0.24	1.01	1.19	0.76	0.74	2.78	0.65	1.25	0.98	0.63	1.03	0.72	0.50	0.64	0.62	0.62	1.59	1.02	0.99	0.96	1.19	0.62	0.85	0.33	1.09	1.17	0.87	0.98
GLYCEROL MYRISTATE (M+NA)+	ME202534	NA	NA	NA	NA	NA	NA	NA	1.13	NA	1.56	1.33	0.46	1.01	1.41	1.19	NA	0.72	0.68	NA	NA	1.80	0.98	1.06	NA	1.12	0.89	NA	0.99	0.73	NA	1.38	1.12	NA	0.63
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+	ME202501	NA	NA	NA	0.32	0.23	0.15	0.06	0.27	0.29	0.56	0.98	0.29	0.46	0.37	0.25	0.61	0.21	0.36	1.46	0.96	0.19	0.32	0.38	4.18	0.15	0.40	2.90	0.49	3.95	7.78	0.42	0.38	0.51	0.29
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+	ME202567	NA	NA	NA	NA	0.06	NA	NA	0.08	NA	NA	0.31	NA	NA	NA	2.98	NA	0.11	0.92	NA	0.04	0.04	NA	0.55	0.01	1.88	0.06	1.12	1.43	0.29	1.60	2.10	1.75	0.63	1.19
GLUTARYLCARNITINE (*) (M+H)+	ME202533	NA	NA	NA	NA	NA	NA	NA	0.29	NA	NA	NA	1.35	2.10	2.20	0.71	NA	1.00	0.36	NA	NA	0.63	0.70	0.97	NA	1.40	0.93	NA	0.74	0.45	0.94	0.38	0.83	1.03	1.66
OLEOYL-GLYCEROL (M+H)+	ME202562	NA	NA	NA	NA	0.37	NA	0.41	0.82	0.51	NA	NA	1.29	1.67	NA	0.75	NA	0.49	NA	1.40	1.05	0.73	0.73	1.19	1.51	0.63	1.00	1.46	0.92	0.70	0.67	0.92	1.24	0.50	0.88
PANTOTHENIC ACID (M+H)+	ME202568	NA	NA	NA	0.52	0.50	0.48	0.65	0.66	0.56	1.42	1.36	1.96	1.23	0.70	1.11	0.55	0.78	0.68	0.77	0.56	0.55	0.76	1.01	2.47	0.59	0.83	1.52	0.90	1.07	1.57	1.14	0.88	1.05	0.76
2-DEOXY-D-GLUCOSE (M+NA)+	ME202494	NA	NA	NA	0.73	1.03	1.11	0.87	1.74	1.22	NA	NA	0.94	NA	NA	0.71	NA	1.05	NA	0.30	1.26	0.87	0.75	0.77	1.08	0.19	0.72	0.92	0.96	NA	NA	1.23	1.14	0.53	1.82
METHIONINE (M+H)+	ME202554	NA	NA	NA	0.65	1.40	0.67	1.03	0.68	0.66	0.64	1.02	0.85	1.15	0.69	0.84	0.79	0.97	0.86	0.87	0.95	0.93	1.22	0.90	0.98	0.93	1.07	0.90	1.13	1.09	1.06	0.96	1.18	0.94	0.98
5-AMINOPENTANOIC ACID (M+H)+	ME202503	NA	NA	NA	0.92	1.14	0.95	0.77	0.86	0.93	NA	NA	0.96	0.96	NA	1.02	0.98	0.91	NA	1.14	1.07	0.95	1.21	0.96	1.04	1.06	1.05	0.83	0.90	1.00	0.91	0.97	1.05	1.27	1.17
20:0 LYSO PC (M+H)+	ME202495	NA	NA	NA	0.96	NA	1.08	1.56	0.87	0.53	NA	NA	1.44	0.53	NA	0.97	0.41	0.60	NA	0.57	0.60	0.91	0.93	1.40	1.00	1.18	1.06	1.01	1.15	0.77	0.70	1.20	0.93	0.85	0.71
PHENYLALANINE (M+H)+	ME202570	NA	NA	NA	1.78	1.20	0.43	0.36	0.50	0.30	0.47	7.55	0.85	0.88	2.08	0.74	0.38	1.31	0.35	1.15	1.06	0.89	1.17	0.93	0.86	1.42	0.84	1.05	1.29	0.70	0.80	1.07	0.75	1.21	0.77
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+	ME202510	NA	NA	NA	0.67	0.49	0.84	0.40	1.86	1.32	1.75	1.35	1.11	1.06	1.19	0.94	1.46	1.14	0.79	1.18	0.62	1.17	0.79	0.96	1.01	1.06	0.87	0.97	1.02	1.11	0.94	1.07	0.92	0.88	0.91
EDTA (M+NA)+	ME202526	NA	NA	NA	1.05	1.00	1.32	1.34	1.21	0.98	0.02	0.41	1.27	1.21	0.91	0.98	1.06	0.92	0.89	1.18	0.95	0.78	0.89	1.20	1.11	0.93	1.12	0.93	1.01	0.79	0.74	1.07	0.90	0.99	1.02
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+	ME202578	NA	NA	NA	0.48	0.90	0.58	0.52	0.66	0.56	0.54	0.84	0.79	0.94	1.03	0.62	1.55	1.02	1.08	0.83	0.93	1.21	0.98	0.65	0.95	1.13	1.23	0.93	1.24	0.99	0.94	0.85	1.21	0.59	1.20
OLEIC ACID (M+NA)+	ME202561	NA	NA	NA	1.08	0.96	1.46	1.27	0.85	0.32	1.37	1.05	0.94	0.91	1.45	0.86	1.37	0.99	1.22	1.46	0.91	1.20	0.76	0.91	1.02	1.07	0.97	1.00	0.94	1.14	1.16	1.09	0.82	1.25	1.00
DECANOYLCARNITINE (*) (M+H)+	ME202523	NA	NA	NA	0.46	0.46	0.69	0.91	0.34	1.91	1.68	1.10	1.41	1.07	0.43	1.45	0.77	0.44	0.69	2.04	3.00	0.79	0.69	0.74	1.21	0.69	0.75	0.86	1.34	0.57	0.81	1.00	1.22	1.00	0.99
ADIPIC ACID (M+NA)+	ME202507	NA	NA	NA	1.04	0.62	1.43	NA	1.18	0.27	2.22	0.39	1.64	0.99	0.41	0.41	NA	0.83	0.75	NA	1.75	0.38	0.79	1.45	1.80	0.99	0.66	0.78	1.04	1.00	NA	1.67	0.45	0.90	0.81
16:0 LYSO PC (M+H)+	ME202490	NA	NA	NA	0.84	0.50	1.09	1.31	0.86	0.91	0.58	0.88	1.13	1.07	0.99	0.94	0.79	0.92	0.92	1.13	0.91	0.86	0.94	1.12	1.02	1.05	0.99	0.93	1.06	0.75	0.86	1.09	1.10	0.76	1.03
3-METHOXYTYROSINE (M+H)+	ME202497	NA	NA	NA	NA	NA	NA	NA	0.51	NA	0.28	NA	1.17	1.10	1.10	0.53	0.65	1.09	1.07	0.83	0.98	0.82	0.89	0.65	0.89	1.05	1.17	1.06	0.78	1.32	1.35	1.00	0.98	1.09	0.86
EPIBRASSINOLIDE [ISTD] (M+NA)+	ME202529	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.61	1.55	NA	NA	0.83	1.00	NA	0.05	0.12	1.82	0.97	0.78	1.04	0.86	1.27	0.82	0.46	1.06	1.03	1.11	1.10	NA	1.05
ISOLEUCINE (M+H)+	ME202543	NA	NA	NA	0.89	1.21	0.89	0.93	0.90	1.08	1.32	1.24	1.32	1.51	1.49	1.22	0.51	0.71	0.99	1.12	0.88	1.11	0.73	1.03	0.92	1.19	0.96	0.96	0.94	0.99	0.63	0.92	1.03	1.27	0.99
16:0 LYSO PC (M+NA)+	ME202491	NA	NA	NA	0.85	1.82	0.99	1.01	1.50	0.95	0.75	0.71	1.07	1.18	1.23	1.05	1.06	1.06	0.80	0.97	0.84	0.89	0.97	0.89	1.17	0.96	1.05	0.90	0.80	1.03	1.03	0.90	0.94	1.52	1.25
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+K)+	ME202522	NA	NA	NA	2.84	0.65	0.78	0.44	1.24	0.54	1.38	0.92	1.86	0.87	NA	0.90	1.24	1.00	1.32	0.81	0.43	1.20	0.52	1.06	0.55	1.03	0.89	0.53	1.21	0.47	0.98	1.40	0.79	1.23	1.14
CYSTEIC ACID (M+H)+	ME202521	NA	NA	NA	0.38	1.03	0.67	0.54	0.97	NA	NA	NA	1.98	1.29	1.79	2.04	NA	0.73	0.56	1.03	0.85	0.67	1.75	1.14	0.71	0.95	1.27	0.48	1.06	0.35	0.90	0.63	0.77	1.53	0.51
CITRIC ACID (M+NA)+	ME202517	NA	NA	NA	1.12	0.92	1.20	0.91	1.20	0.89	1.59	0.85	1.43	1.03	1.11	0.91	0.96	1.17	0.90	1.47	0.75	0.95	0.74	0.96	1.01	1.01	0.93	1.00	0.77	1.07	0.89	1.13	0.87	1.65	1.00
CREATINE (M+H)+	ME202518	NA	NA	NA	0.41	1.43	1.17	1.05	1.29	NA	0.16	NA	0.99	1.29	1.92	1.60	0.64	0.87	0.47	0.82	0.61	1.40	1.74	0.85	0.96	1.14	1.33	0.66	0.56	1.16	1.45	0.63	0.80	2.60	0.63
TYROSINE (M+NA)+	ME202592	NA	NA	NA	1.22	1.60	0.60	1.11	0.74	0.65	1.88	1.91	0.96	1.04	0.37	0.75	0.61	0.82	1.05	1.47	1.13	0.97	0.90	1.06	0.86	1.21	0.98	0.93	1.24	0.52	0.88	1.00	1.02	0.83	1.08
TYROSINE (M+H)+	ME202591	NA	NA	NA	0.99	1.44	0.73	0.82	0.89	1.04	0.70	0.81	0.93	1.31	0.92	0.97	0.87	0.97	0.91	1.01	1.05	0.89	1.16	0.96	0.92	0.98	1.03	0.90	1.15	0.89	0.98	0.96	1.05	0.89	1.09
SPERMINE (M+H)+	ME202580	NA	NA	NA	NA	0.28	1.04	NA	0.79	0.45	0.46	0.33	2.71	0.43	0.45	0.90	0.64	0.64	0.40	0.31	0.48	0.47	0.34	2.25	2.82	1.29	1.10	0.94	0.50	0.52	0.26	0.94	0.87	1.10	0.67
ORNITHINE (M+H)+	ME202564	NA	NA	NA	0.70	0.97	0.61	0.93	0.96	1.15	0.80	0.96	0.92	1.23	1.17	1.16	0.89	0.84	0.84	0.89	0.85	0.87	1.01	0.92	1.01	0.75	0.93	1.16	1.16	1.00	1.03	1.01	1.20	0.79	1.06
L-ARGININE (M+NA)+	ME202550	NA	NA	NA	1.05	1.56	0.35	0.46	1.06	0.69	0.97	0.81	0.85	1.24	0.70	1.05	0.88	0.81	0.98	1.16	0.71	1.38	1.02	0.90	1.22	0.90	1.04	1.01	0.94	1.12	0.92	0.98	1.14	0.92	0.92
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+	ME202509	NA	NA	NA	0.66	0.80	0.84	0.56	1.17	0.97	1.23	1.35	0.93	1.18	1.22	1.02	1.13	0.96	1.06	1.29	0.85	1.08	1.00	0.89	0.98	0.98	0.96	0.92	1.04	1.07	0.96	0.91	1.13	0.88	0.97
DECENOYLCARNITINE (*) (M+H)+	ME202524	NA	NA	NA	0.76	0.91	0.61	1.08	0.49	1.55	0.99	0.55	1.06	0.94	0.13	0.99	0.53	1.00	0.91	0.63	1.90	1.42	0.74	0.88	1.16	0.63	0.97	1.29	1.48	0.66	0.69	0.94	1.06	0.77	1.04
URIC ACID (M+H)+	ME202593	NA	NA	NA	1.18	0.98	1.05	0.55	1.51	0.87	0.53	0.50	1.26	1.30	0.90	1.01	1.03	0.81	0.85	1.11	0.98	0.81	0.73	1.46	0.81	0.97	0.79	0.89	1.02	0.79	0.81	1.22	0.98	1.08	1.07
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+	ME202551	NA	NA	NA	1.04	0.95	1.15	0.96	0.96	0.97	1.07	0.91	1.01	0.95	1.06	0.99	0.95	1.00	1.03	0.99	0.99	0.92	0.96	1.00	1.02	1.02	1.02	1.05	0.98	1.03	0.97	1.02	0.99	1.02	0.99
L-ARGININE (M+H)+	ME202549	NA	NA	NA	0.42	2.03	0.48	1.03	0.87	0.61	0.93	0.32	0.60	1.44	NA	0.77	0.84	0.76	0.75	0.91	0.91	1.18	1.09	0.77	1.00	1.02	1.28	1.31	0.96	0.93	1.27	1.03	1.10	1.21	0.69
GLUCOSE (M+NA)+	ME202532	NA	NA	NA	0.79	0.97	0.48	0.42	1.09	0.72	0.47	0.52	1.14	0.83	2.49	1.93	1.06	1.15	0.37	1.44	1.11	0.78	0.92	0.83	1.00	1.37	1.55	0.83	0.77	1.20	0.64	0.80	0.86	1.20	0.69
GUANINE (M+H)+	ME202537	NA	NA	NA	0.72	1.58	0.06	1.05	0.32	0.68	0.75	1.06	0.89	1.18	0.69	0.84	0.88	1.06	0.82	0.79	1.02	0.73	1.34	0.93	1.02	0.98	1.09	0.93	1.19	0.89	1.05	0.85	1.26	0.84	1.04
VALINE (M+H)+	ME202597	NA	NA	NA	0.86	1.11	0.78	0.76	0.81	1.09	0.84	0.86	1.01	1.42	1.43	1.30	0.75	0.78	0.85	1.12	1.08	0.93	1.16	1.02	0.89	0.99	0.92	0.92	1.12	0.86	0.91	0.95	1.08	1.11	1.08
URIC ACID (M+NA)+	ME202594	NA	NA	NA	1.21	0.98	0.96	0.54	1.05	1.03	0.59	0.61	1.25	1.42	0.50	0.85	0.91	0.72	0.63	1.33	1.08	0.67	0.58	1.46	0.81	1.06	0.76	0.99	1.23	0.59	0.63	1.37	1.03	0.78	1.06
CHOLESTEROL (M+H)+[-H2O]	ME202514	NA	NA	NA	0.93	1.05	0.98	1.00	1.08	0.79	0.85	0.81	0.88	1.06	1.01	0.89	1.40	1.12	1.10	0.90	1.03	0.95	0.97	0.86	0.93	1.08	1.07	1.00	0.93	1.11	1.14	0.91	0.99	1.01	1.12
1-METHYLXANTHINE (M+H)+	ME202489	NA	NA	NA	0.88	1.20	1.03	1.09	0.85	1.00	1.11	1.15	1.01	1.02	1.08	0.96	0.77	0.96	0.93	1.01	1.03	0.90	1.02	1.09	1.10	0.99	0.96	1.00	1.02	0.97	0.98	0.99	1.03	0.96	0.99
5^-METHYLTHIOADENOSINE (M+H)+	ME202502	NA	NA	NA	0.76	1.03	0.34	0.58	0.64	0.73	1.19	1.12	0.91	1.36	0.84	1.11	1.02	0.89	0.78	0.95	0.99	0.79	0.87	0.91	1.09	0.88	0.92	0.95	1.17	1.17	1.62	0.91	1.05	1.01	1.23
PIPECOLIC ACID (M+H)+	ME202571	NA	NA	NA	0.87	1.02	0.94	0.86	0.98	0.91	0.97	1.61	1.07	0.98	0.38	0.97	0.79	0.86	0.60	0.51	0.82	0.95	1.01	1.05	1.36	1.02	1.07	0.95	0.95	0.76	0.79	1.07	1.24	0.47	0.92
KYNURENINE (M+H)+	ME202547	NA	NA	NA	0.70	1.04	0.73	0.69	0.81	1.86	1.47	1.69	1.29	1.28	1.16	1.41	1.27	0.67	0.72	1.07	1.03	0.65	0.76	1.07	1.10	0.86	0.88	1.07	1.05	1.07	1.30	0.84	1.06	0.97	1.17
OLEIC ACID (M+H)+	ME202560	NA	NA	NA	0.42	0.33	NA	1.05	1.39	0.81	1.48	1.28	0.59	1.55	1.15	0.88	NA	1.14	1.26	1.21	0.59	1.12	0.79	0.87	1.07	0.98	1.32	0.63	1.05	0.96	0.80	0.93	0.89	1.22	0.81
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+	ME202574	NA	NA	NA	1.02	0.51	NA	NA	0.91	0.87	NA	NA	1.60	0.79	0.99	0.82	1.41	0.94	1.10	0.55	0.74	0.46	0.61	1.45	1.24	0.92	0.64	0.99	0.67	1.62	1.47	1.27	0.89	1.49	1.11
CREATININE (M+H)+	ME202519	NA	NA	NA	3.15	3.54	0.61	0.65	0.73	0.04	NA	0.35	0.70	1.04	0.02	0.04	1.35	0.62	0.50	0.51	0.99	1.67	0.61	0.65	2.31	0.81	0.88	1.55	0.57	0.85	1.22	1.18	1.02	0.46	1.44
LYSINE (M+H)+	ME202553	NA	NA	NA	0.83	1.31	0.65	1.06	0.82	0.98	0.75	0.96	0.89	1.20	0.97	1.06	0.85	0.84	0.84	0.95	0.93	0.94	1.20	0.96	1.03	0.87	1.02	1.03	1.04	1.06	1.05	0.96	1.16	0.96	0.89
ZEATIN [ISTD] (M+H)+	ME202599	NA	NA	NA	1.07	1.06	1.05	1.04	0.98	0.98	1.03	0.99	1.03	1.02	0.93	0.91	1.08	1.02	1.01	0.86	1.06	1.00	1.03	1.01	0.94	1.02	1.02	0.95	0.97	0.99	0.98	1.00	1.00	0.99	1.02
URIDINE (M+H)+	ME202595	NA	NA	NA	NA	0.46	2.16	NA	1.10	0.66	NA	NA	1.59	1.22	NA	2.08	0.96	0.80	NA	1.12	0.74	1.31	0.79	0.83	0.62	1.73	1.10	0.69	0.58	1.39	0.99	0.91	0.93	0.73	1.24
TRYPTOPHAN (M+NA)+	ME202590	NA	NA	NA	0.97	1.18	0.96	1.13	0.95	1.01	0.96	0.99	1.03	1.15	0.97	1.07	1.12	0.87	0.98	0.98	1.01	0.97	1.12	1.04	0.85	1.07	1.01	0.84	1.06	0.83	0.90	0.98	1.06	0.89	1.06
GLYCOCHOLIC ACID (M+H)+[-H2O]	ME202536	NA	NA	NA	NA	2.12	0.06	0.67	0.50	0.63	NA	2.91	0.33	0.99	0.57	0.63	NA	1.18	0.63	1.30	0.56	0.46	0.70	1.71	1.13	0.85	1.39	1.25	1.39	1.26	0.96	0.60	0.84	3.21	0.65
CAFFEINE (M+NA)+	ME202512	NA	NA	NA	2.87	2.69	NA	0.24	0.57	NA	0.95	1.64	0.81	0.37	0.11	1.03	0.98	0.63	1.17	0.72	1.24	0.27	1.01	1.54	1.67	1.00	1.41	0.70	1.45	0.59	0.44	0.59	0.90	NA	1.08
16:0-18:0 PC (M+NA)+	ME202492	NA	NA	NA	0.92	NA	1.30	1.15	1.04	0.80	NA	NA	1.14	NA	NA	NA	NA	0.82	NA	NA	1.06	NA	0.96	1.10	0.76	0.99	0.86	0.96	1.10	NA	NA	1.12	0.97	1.01	NA
4-ACETAMINOPHEN SULFATE (M+H)+	ME202498	NA	NA	NA	NA	0.04	NA	NA	0.08	NA	NA	0.13	NA	NA	NA	1.92	NA	0.11	0.60	NA	NA	NA	NA	0.73	NA	1.34	0.17	0.92	2.52	0.02	2.11	0.90	0.75	0.26	0.89
GLUCOSE (2M+NA)+	ME202531	NA	NA	NA	0.82	0.74	0.25	0.68	0.56	0.57	NA	NA	2.11	0.76	NA	0.92	0.85	1.66	NA	1.19	1.20	0.41	0.71	0.64	0.59	1.37	3.29	0.58	0.56	0.98	0.35	0.79	0.77	0.97	0.50
ACETAMINOPHEN (TN TYLENOL) (M+H)+	ME202504	NA	NA	NA	0.00	0.28	0.00	NA	0.13	NA	0.26	0.50	0.00	0.00	NA	5.07	0.00	0.07	1.30	0.01	0.07	0.08	0.01	1.55	0.03	3.53	0.11	0.77	0.65	0.30	1.51	0.85	0.43	0.54	2.76
ELAIDIC ACID (M+H)+	ME202527	NA	NA	NA	1.34	0.20	1.57	1.16	1.18	0.85	1.46	0.62	1.66	0.73	1.72	1.02	0.47	1.27	1.07	0.98	0.58	1.01	0.74	1.35	0.94	1.30	0.72	1.07	0.71	1.22	0.79	1.31	0.66	1.37	0.97
TRANS-3^-HYDROXYCOTININE (M+H)+	ME202588	NA	NA	NA	NA	NA	NA	NA	0.86	0.80	NA	NA	1.78	0.97	NA	0.51	0.97	1.20	1.73	NA	1.25	0.84	1.06	1.36	0.98	0.82	0.79	0.96	0.79	1.50	1.81	0.98	0.83	0.23	1.03
SEROTONIN (M+H)+	ME202576	NA	NA	NA	NA	NA	NA	NA	0.64	0.74	NA	NA	1.71	1.25	0.12	0.41	0.96	0.69	1.29	NA	1.29	1.14	0.88	1.04	1.50	0.76	0.80	1.24	1.01	0.97	1.42	1.15	0.98	0.18	1.14
CYSTATHIONINE (M+H)+	ME202520	NA	NA	NA	1.22	0.94	0.82	0.61	1.01	0.60	1.09	1.17	0.96	0.90	1.32	1.45	NA	0.92	0.91	1.33	0.92	1.06	0.74	1.15	0.80	1.16	1.15	0.80	1.04	1.02	0.98	0.98	0.90	1.26	0.91
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+	ME202566	NA	NA	NA	NA	0.03	NA	NA	0.04	NA	NA	0.13	NA	NA	NA	2.97	NA	0.05	0.51	NA	0.02	0.02	NA	0.77	0.01	1.35	0.04	0.50	3.59	0.23	1.73	1.29	1.36	0.30	0.82
URIDINE (M+NA)+	ME202596	NA	NA	NA	0.75	0.76	2.79	NA	0.74	0.86	NA	NA	1.20	1.07	0.80	0.94	1.24	0.90	1.02	1.22	1.03	0.93	0.82	1.23	0.97	1.19	1.04	0.83	0.74	0.90	0.86	0.99	0.96	1.07	1.04
OLEOYL-GLYCEROL (M+NA)+	ME202563	NA	NA	NA	0.70	0.35	0.43	0.31	0.79	0.64	1.29	2.19	1.17	1.32	2.90	0.81	0.64	0.63	0.84	1.47	1.16	0.69	0.54	1.41	0.77	0.70	0.90	1.70	1.43	0.58	0.58	0.96	0.99	1.17	1.12
HOMOVANILLIC ACID (M+H)+	ME202540	NA	NA	NA	NA	NA	NA	0.35	NA	0.42	1.87	0.91	0.75	0.97	0.24	0.65	NA	0.76	0.91	NA	0.66	0.65	0.66	0.71	0.59	0.62	0.66	20.92	0.76	1.18	1.37	0.94	0.64	0.73	0.59
GAMMA-LINOLENIC ACID (M+NA)+	ME202530	NA	NA	NA	1.07	0.26	1.60	0.93	1.21	0.60	4.12	1.94	1.07	1.01	1.72	0.86	0.62	1.14	1.08	0.90	0.63	1.32	0.83	1.53	0.83	1.02	0.73	1.31	0.85	1.02	0.91	1.04	0.55	1.76	1.04
ACETAMINOPHEN (TN TYLENOL) (M+NA)+	ME202505	NA	NA	NA	NA	0.08	0.00	NA	0.04	NA	0.04	0.04	0.01	0.02	0.00	3.76	0.05	0.01	0.09	0.03	0.02	0.03	0.01	3.59	0.07	4.44	0.24	1.46	0.02	0.06	0.29	1.90	0.78	0.08	1.23
CHOLINE M+	ME202515	NA	NA	NA	NA	0.73	0.43	1.22	0.96	1.88	NA	NA	1.86	NA	NA	1.61	0.67	0.85	NA	0.69	1.10	0.48	0.62	0.64	1.32	0.90	0.89	0.91	1.17	0.76	1.03	0.90	1.27	0.60	1.12
THEOPHYLLINE (M+H)+	ME202585	NA	NA	NA	2.67	2.63	0.09	0.43	1.24	0.06	2.29	3.65	1.02	0.50	0.26	0.80	0.88	0.64	1.08	0.82	0.87	0.14	0.94	1.92	1.01	1.29	0.70	1.36	1.44	0.73	0.77	0.94	0.73	0.94	1.41
HEXANOYLCARNITINE (*) M+	ME202538	NA	NA	NA	2.04	0.57	1.18	0.90	0.42	0.80	0.81	0.33	1.36	0.79	0.43	0.83	0.29	1.03	0.68	0.66	0.98	5.93	0.56	1.36	0.92	0.88	0.82	0.95	0.88	0.80	0.64	1.07	0.60	0.83	0.79
METHYL BETA-D-GALACTOSIDE (M+NA)+	ME202555	NA	NA	NA	0.63	0.67	0.46	0.76	0.62	0.89	1.81	2.82	0.55	1.00	0.41	0.83	NA	0.61	0.95	0.87	0.39	0.78	0.49	0.91	1.32	0.96	1.07	1.62	1.43	0.98	1.42	0.77	1.22	0.81	1.00

Factors:

F1	CT findings:Abnormal only \| GOSE:4 \| Gender:Male \| Injury:1 month
F2	CT findings:Abnormal only \| GOSE:4 \| Gender:Male \| Injury:3 months
F3	CT findings:Abnormal only \| GOSE:5 \| Gender:Female \| Injury:1 month
F4	CT findings:Abnormal only \| GOSE:5 \| Gender:Male \| Injury:1 month
F5	CT findings:Abnormal only \| GOSE:5 \| Gender:Male \| Injury:3 months
F6	CT findings:Abnormal only \| GOSE:6 \| Gender:Female \| Injury:1 month
F7	CT findings:Abnormal only \| GOSE:6 \| Gender:Female \| Injury:3 months
F8	CT findings:Abnormal only \| GOSE:6 \| Gender:Male \| Injury:1 month
F9	CT findings:Abnormal only \| GOSE:6 \| Gender:Male \| Injury:3 months
F10	CT findings:Abnormal only \| GOSE:7 \| Gender:Female \| Injury:1 month
F11	CT findings:Abnormal only \| GOSE:7 \| Gender:Female \| Injury:3 months
F12	CT findings:Abnormal only \| GOSE:7 \| Gender:Male \| Injury:1 month
F13	CT findings:Abnormal only \| GOSE:7 \| Gender:Male \| Injury:3 months
F14	CT findings:Abnormal only \| GOSE:8 \| Gender:Male \| Injury:1 month
F15	CT findings:Abnormal only \| GOSE:8 \| Gender:Male \| Injury:3 months
F16	CT findings:Normal \| GOSE:4 \| Gender:Male \| Injury:3 months
F17	CT findings:Normal \| GOSE:5 \| Gender:Female \| Injury:1 month
F18	CT findings:Normal \| GOSE:5 \| Gender:Female \| Injury:3 months
F19	CT findings:Normal \| GOSE:5 \| Gender:Male \| Injury:1 month
F20	CT findings:Normal \| GOSE:5 \| Gender:Male \| Injury:3 months
F21	CT findings:Normal \| GOSE:6 \| Gender:Female \| Injury:1 month
F22	CT findings:Normal \| GOSE:6 \| Gender:Female \| Injury:3 months
F23	CT findings:Normal \| GOSE:6 \| Gender:Male \| Injury:1 month
F24	CT findings:Normal \| GOSE:6 \| Gender:Male \| Injury:3 months
F25	CT findings:Normal \| GOSE:7 \| Gender:Female \| Injury:1 month
F26	CT findings:Normal \| GOSE:7 \| Gender:Female \| Injury:3 months
F27	CT findings:Normal \| GOSE:7 \| Gender:Male \| Injury:1 month
F28	CT findings:Normal \| GOSE:7 \| Gender:Male \| Injury:3 months
F29	CT findings:Normal \| GOSE:8 \| Gender:Female \| Injury:1 month
F30	CT findings:Normal \| GOSE:8 \| Gender:Female \| Injury:3 months
F31	CT findings:Normal \| GOSE:8 \| Gender:Male \| Injury:1 month
F32	CT findings:Normal \| GOSE:8 \| Gender:Male \| Injury:3 months
F33	CT findings:Normal \| GOSE:NA \| Gender:Female \| Injury:1 month
F34	CT findings:Normal \| GOSE:NA \| Gender:Male \| Injury:1 month

Data matrix