Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomic Profiles of Recovery from Traumatic Brain Injury (Study ST000721)

Reversed phase NEGATIVE ION MODE (Analysis AN001128)

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
ADIPIC ACID (M-H)-	ME202617	0.98	0.47	0.70	0.74	0.40	0.88	0.85	1.00	0.59	1.64	0.60	0.97	0.49	0.66	0.64	0.34	0.63	0.83	0.61	0.65	0.82	3.34	0.78	1.17	0.89	0.53	0.71	0.65	2.23	4.11	0.95	1.42	0.98	0.57
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-	ME202686	0.05	NA	NA	NA	0.05	NA	NA	0.05	NA	NA	0.18	NA	0.16	1.41	2.05	NA	0.04	0.46	NA	0.01	1.25	1.99	1.60	1.59	1.15	0.07	0.82	1.60	0.25	1.56	0.51	0.83	0.33	1.06
PALMITIC ACID (M-H)-	ME202687	1.20	0.32	2.27	2.25	0.15	2.13	0.63	1.59	0.65	1.96	0.64	1.83	0.47	1.90	0.58	0.23	1.21	1.08	1.48	0.50	1.33	0.62	1.61	0.56	1.33	0.58	1.27	0.45	0.88	0.66	1.63	0.49	1.37	1.00
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-	ME202618	0.64	0.52	1.85	NA	NA	NA	0.21	1.82	0.58	1.18	0.26	2.22	0.89	1.42	1.13	0.53	0.84	0.42	1.43	0.30	1.08	0.89	1.22	0.59	1.31	0.69	1.57	0.71	1.12	0.80	1.22	0.71	1.06	1.15
ISOLEUCINE (M-H)-	ME202661	1.24	1.93	0.95	0.65	0.85	0.74	1.07	0.49	1.84	0.28	0.49	0.74	1.39	0.86	0.89	0.71	0.73	0.99	1.56	1.11	1.09	0.88	0.97	1.08	0.94	0.97	0.85	0.85	0.90	1.25	0.91	1.18	0.89	1.19
OXALOACETIC ACID (M-H)-[-H2O]	ME202684	1.00	1.00	1.08	1.06	1.01	0.80	1.59	1.05	0.96	1.08	1.06	1.01	0.99	0.98	0.99	0.90	1.01	1.03	0.97	0.97	0.96	0.96	1.00	0.97	0.97	0.99	1.04	1.00	0.95	1.02	0.99	1.01	1.03	1.00
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)-	ME202685	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.02	NA	0.01	0.33	1.86	NA	NA	0.16	NA	NA	1.26	1.35	1.52	2.85	0.73	0.01	0.73	3.13	0.04	0.82	0.62	0.68	0.04	0.62
VALINE (M-H)-	ME202711	1.08	NA	NA	NA	NA	NA	NA	0.65	0.59	0.80	0.74	0.64	1.17	1.08	0.58	0.83	0.89	1.14	1.33	1.33	1.41	1.39	1.12	0.96	0.90	0.83	0.91	1.20	0.67	0.94	1.02	1.08	0.39	1.29
SUCCINIC ACID (M-H)-	ME202698	1.17	1.05	0.62	0.57	1.34	0.95	1.19	0.88	1.30	1.08	1.33	0.98	1.07	1.01	0.98	0.94	0.95	1.18	0.71	0.99	1.09	1.01	0.89	0.93	1.00	1.07	0.93	1.05	1.00	1.30	0.98	1.04	0.81	0.76
OXALIC ACID (M-H)-	ME202683	NA	NA	NA	NA	NA	0.39	0.24	0.64	0.96	NA	NA	0.98	NA	NA	0.53	NA	0.83	NA	1.44	1.23	NA	NA	0.67	1.16	0.31	1.39	0.94	1.50	NA	NA	1.32	0.83	0.24	0.88
BEHENIC ACID (M-H)-	ME202622	1.27	0.97	0.47	0.70	0.57	0.63	0.56	0.90	0.77	0.46	0.37	1.04	0.84	1.27	0.61	0.41	2.48	0.67	1.04	0.60	0.81	0.81	0.82	0.97	0.95	1.33	0.84	0.76	0.76	1.25	1.36	0.88	1.21	0.77
DEOXYCHOLIC ACID (M+CL)-	ME202636	0.71	1.54	0.14	0.27	0.79	0.15	1.01	0.62	0.57	0.64	3.93	0.88	1.27	0.73	1.01	0.44	0.60	0.84	0.65	0.91	0.58	0.83	0.47	0.69	0.94	0.89	1.31	2.13	0.47	1.52	0.88	1.32	0.38	0.45
LINOLEIC ACID (M-H)-	ME202668	1.24	0.43	2.08	2.17	0.16	2.08	0.75	1.40	0.58	1.06	0.45	1.56	0.46	1.72	0.56	0.27	1.32	1.18	1.24	0.58	1.22	0.63	1.54	0.66	1.44	0.73	1.19	0.58	0.88	0.56	1.53	0.54	1.48	0.94
CIS-VACCENIC ACID (M-H)-	ME202627	1.26	0.30	2.27	2.02	0.07	2.08	0.66	1.53	0.64	1.77	0.55	1.80	0.44	1.88	0.62	0.19	1.43	1.12	1.42	0.53	1.32	0.65	1.60	0.56	1.44	0.62	1.17	0.46	0.94	0.62	1.56	0.49	1.43	0.95
GERANYLGERANYL DIPHOSPHATE (M-H)-	ME202643	1.00	1.12	0.37	NA	NA	NA	0.30	1.89	0.64	1.09	2.38	1.21	0.78	1.28	0.62	NA	1.16	1.01	1.61	0.63	1.28	0.59	0.99	0.63	1.23	0.77	1.56	0.92	0.65	0.57	0.99	0.78	1.48	0.92
CORTISONE (M+CL)-	ME202631	1.00	0.45	1.57	1.43	0.68	1.49	0.66	1.24	1.66	0.81	0.66	1.22	0.92	1.26	1.09	0.67	0.85	0.78	1.01	1.18	0.89	0.72	1.01	1.03	0.87	1.06	0.98	0.98	0.76	1.08	1.12	1.03	0.47	0.95
ZEATIN [ISTD] (M+CL)-	ME202713	0.99	0.96	1.09	1.05	1.08	1.03	1.04	1.08	0.97	0.98	0.84	1.03	1.02	0.94	1.02	1.09	0.97	1.04	0.98	0.90	1.02	1.02	1.01	0.94	1.03	1.06	0.94	0.97	1.03	1.01	0.99	1.00	0.97	1.00
CHOLIC ACID (M+CL)-	ME202624	8.70	0.42	NA	0.13	0.50	NA	NA	0.47	4.19	0.08	0.77	1.14	0.39	1.01	0.81	0.57	0.82	0.17	1.22	0.66	0.26	0.38	0.74	0.60	0.92	0.84	2.44	2.33	0.36	1.98	0.91	0.55	0.18	0.19
PYRUVIC ACID (M-H)-	ME202692	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.30	NA	0.35	0.92	0.55	NA	0.20	NA	1.10	0.24	0.73	0.30	6.03	1.76	0.69	1.07	0.82	0.88	0.51	1.12	NA	0.10
N-ACETYL-L-ALANINE (M-H)-	ME202677	1.13	0.90	1.06	1.16	0.97	0.93	0.73	0.88	1.10	1.40	1.22	1.34	0.92	0.90	1.06	0.59	0.89	1.00	0.94	1.03	1.09	1.10	0.95	0.91	1.10	0.87	1.09	1.00	1.15	1.24	0.97	0.89	1.41	1.21
LIGNOCERIC ACID (M-H)-	ME202667	1.15	0.83	0.60	0.87	0.66	0.48	0.56	1.05	0.79	0.60	0.64	1.05	0.83	1.15	0.74	0.32	2.32	0.74	1.12	0.62	0.89	0.79	0.82	0.89	0.89	1.16	0.83	0.79	0.59	2.20	1.31	0.94	0.76	0.83
KYNURENIC ACID (M-H)-	ME202662	0.75	NA	NA	0.53	0.41	NA	0.20	0.49	0.73	0.93	1.09	0.64	0.70	0.57	0.61	0.40	0.67	0.50	0.54	0.66	0.43	0.65	0.71	2.79	0.68	0.67	2.35	0.79	3.07	5.20	0.62	0.61	0.81	0.72
18:0 LYSO-PE (M-H)-	ME202603	1.41	1.34	0.36	0.76	0.35	0.49	0.72	0.98	1.40	0.44	1.34	1.09	1.05	1.26	0.87	0.31	0.93	1.04	1.57	0.72	1.07	1.15	1.01	0.81	1.18	0.89	1.03	0.88	0.49	0.67	1.11	1.13	0.67	0.96
DEOXYURIDINE (M+CL)-	ME202638	NA	NA	NA	NA	NA	NA	NA	0.81	NA	0.97	0.58	1.36	0.98	NA	0.58	1.00	1.12	1.02	0.63	0.32	0.95	0.79	1.27	0.86	0.96	1.01	0.30	0.96	0.88	0.96	0.96	1.14	0.98	1.53
URIC ACID (M-H)-	ME202708	0.92	0.17	0.39	1.56	1.63	NA	0.90	1.22	1.52	1.15	2.96	0.98	0.88	0.32	1.85	0.38	1.08	1.36	0.94	0.64	0.98	0.89	1.05	0.78	0.78	0.96	1.19	1.14	0.66	1.23	0.94	0.85	1.57	1.20
THEOPHYLLINE (M-H)-	ME202700	0.97	0.98	2.47	1.76	1.70	0.09	1.08	1.31	0.55	2.15	3.13	0.74	0.76	0.58	1.25	0.85	0.55	1.18	0.87	1.43	0.75	1.15	1.53	1.05	1.23	0.55	1.32	1.22	0.86	0.82	0.89	0.79	0.93	1.30
N-ACETYLGLYCINE (M-H)-	ME202679	0.04	0.60	0.36	0.87	1.23	NA	0.66	1.09	1.87	NA	NA	1.13	0.97	NA	1.35	0.59	1.00	0.73	0.73	1.12	0.59	1.12	0.96	1.15	1.20	1.23	1.17	1.10	1.05	1.08	0.74	0.74	1.60	1.55
DEHYDROASCORBIC ACID (M-H)-	ME202632	1.13	1.25	0.80	1.18	1.23	0.55	0.19	1.12	0.99	1.30	1.53	1.07	1.10	0.72	0.97	0.09	1.02	1.01	1.20	0.75	1.02	0.80	1.08	0.96	1.05	0.79	1.23	1.01	1.22	0.85	1.12	0.91	1.05	1.14
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	ME202607	2.16	NA	NA	NA	NA	NA	NA	0.79	1.08	NA	NA	0.99	1.01	0.43	1.77	NA	0.42	NA	0.69	0.80	1.45	0.83	1.17	1.26	0.75	0.64	1.23	0.94	1.49	3.78	0.85	0.68	NA	0.25
3-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME202608	0.86	NA	NA	1.02	1.01	1.21	0.83	0.99	1.36	1.15	0.81	1.32	1.01	0.99	1.12	0.66	0.83	0.66	1.48	0.96	0.85	0.98	1.03	0.80	1.07	0.85	0.99	1.04	0.79	0.93	1.03	1.01	1.10	1.20
ARACHIDONIC ACID (M-H)-	ME202620	1.00	0.56	1.70	2.09	0.42	1.75	0.74	1.48	0.87	1.03	0.58	1.44	0.54	1.61	0.74	0.60	1.16	1.21	1.33	0.61	1.34	0.84	1.43	0.70	1.32	0.73	1.08	0.66	0.86	0.54	1.39	0.62	1.37	1.18
CIS-11-EICOSENOIC ACID (M-H)-	ME202626	1.61	0.43	1.09	1.63	0.07	2.41	0.58	1.52	0.75	1.55	0.61	1.92	0.45	2.02	0.70	0.20	1.68	0.89	1.93	0.50	1.27	0.60	1.48	0.54	1.43	0.70	1.22	0.53	0.73	0.65	1.38	0.46	1.75	0.87
URIDINE (M+CL)-	ME202709	0.76	0.93	0.94	0.67	1.35	1.47	1.12	0.88	0.95	0.85	1.07	1.00	1.22	1.20	0.94	0.69	0.84	1.08	1.24	1.26	0.96	0.84	1.05	1.09	0.95	0.99	1.02	0.86	0.71	0.89	1.00	1.01	1.03	1.25
URIDINE (M-H)-	ME202710	0.95	0.57	0.46	0.35	0.67	1.45	1.05	1.47	7.14	0.44	3.86	1.04	1.18	0.80	1.19	0.61	0.68	0.74	2.06	0.80	0.66	0.76	0.81	0.89	0.84	0.80	1.42	0.56	0.78	0.69	1.28	1.27	0.96	0.76
TRYPTOPHAN (2M-H)-	ME202705	0.80	0.55	0.62	0.73	1.62	0.56	1.11	0.85	0.89	0.66	1.25	0.75	1.09	0.72	1.09	1.48	0.76	0.92	1.03	1.06	0.91	1.30	0.93	0.94	0.94	1.14	0.80	1.13	0.67	1.15	0.89	1.18	0.76	1.20
PANTOTHENIC ACID (M-H)-	ME202689	0.74	0.80	0.66	0.66	0.57	0.48	0.79	0.69	0.49	1.29	1.53	1.52	1.05	1.14	0.99	0.67	0.63	0.68	1.10	0.99	0.88	1.01	1.02	1.00	1.28	0.91	0.89	0.99	1.13	1.36	1.25	0.89	1.21	0.80
MYRISTOLEIC ACID (M-H)-	ME202674	1.41	0.42	2.95	1.03	0.09	0.95	0.48	1.75	1.08	2.53	1.02	1.36	0.50	1.78	0.73	0.40	1.17	1.25	1.66	0.40	1.63	0.83	1.65	0.79	1.17	0.64	1.10	0.47	1.19	1.26	1.28	0.55	0.70	0.64
MALIC ACID (M-H)-	ME202670	0.56	0.70	0.66	1.05	1.67	0.42	0.20	0.96	0.91	NA	NA	1.16	0.68	0.79	1.19	0.13	0.67	0.82	1.36	0.76	1.11	1.15	1.16	0.84	0.91	0.92	1.14	0.90	1.18	0.83	1.18	0.98	0.86	1.31
LYSINE (M-H)-	ME202669	0.47	NA	NA	NA	1.18	0.59	NA	0.66	0.49	NA	NA	0.75	1.36	1.86	1.09	NA	0.63	NA	0.43	0.90	1.03	1.13	0.75	1.12	1.01	0.80	0.95	1.17	NA	2.01	1.02	1.25	0.92	0.84
ISOCITRIC ACID (M-H)-	ME202660	0.26	0.32	0.28	0.99	3.66	0.27	0.05	0.39	1.23	3.02	4.73	1.04	0.74	0.45	1.40	0.04	1.10	1.35	0.87	0.51	0.90	0.55	1.08	1.16	1.07	0.86	1.42	1.01	1.01	0.79	1.04	1.05	1.48	0.52
HYODEOXYCHOLIC ACID (M-H)-	ME202653	0.78	NA	NA	NA	NA	NA	NA	0.53	0.93	NA	NA	1.57	0.80	0.33	0.86	0.71	0.40	NA	0.59	1.12	0.69	0.49	0.37	0.59	0.62	0.58	0.55	0.27	1.06	0.75	0.98	2.74	NA	1.46
HEPTADECANOIC ACID (M-H)-	ME202650	1.49	0.54	1.32	1.35	0.50	1.24	0.54	1.24	1.14	2.52	1.52	1.58	1.13	1.84	0.86	0.69	1.00	0.96	1.28	0.83	1.25	0.80	1.15	0.76	1.20	0.66	1.06	0.73	1.01	1.47	1.11	0.72	1.42	0.96
GLUTAMINE (M-H)-	ME202645	0.43	0.75	1.05	NA	1.14	0.48	0.35	0.67	0.89	0.64	3.10	0.80	0.64	0.76	0.85	0.67	1.11	2.69	1.30	1.72	0.86	1.22	0.97	1.00	1.03	0.90	1.12	0.75	0.80	0.88	1.01	1.15	0.61	0.97
GLUCOSE (M+CL)-	ME202644	0.02	NA	0.09	6.85	0.66	0.05	1.18	0.52	1.47	0.04	0.03	1.06	0.20	0.06	0.93	0.01	1.39	6.25	0.17	1.36	2.27	0.75	1.09	0.97	1.76	0.37	1.07	0.94	1.33	0.73	0.76	0.64	0.10	0.25
5^-METHYLTHIOADENOSINE (M+CL)-	ME202613	NA	NA	NA	0.74	NA	NA	0.66	0.61	1.56	NA	NA	NA	NA	NA	1.23	NA	0.62	NA	NA	1.02	1.56	0.70	1.45	0.80	0.79	1.57	0.91	1.17	NA	NA	0.84	1.13	0.46	1.14
EPIBRASSINOLIDE [ISTD] (M+CL)-	ME202641	0.98	0.98	0.98	0.88	1.03	1.08	0.97	1.02	0.95	0.94	1.03	1.02	0.97	0.98	1.00	1.06	1.00	1.02	1.01	0.98	1.01	1.01	1.00	0.96	1.02	1.02	0.96	1.01	1.01	1.00	0.99	1.02	0.95	1.01
N-ACETYL-D-TRYPTOPHAN (M-H)-	ME202675	1.30	1.44	0.88	0.52	0.85	NA	0.57	0.74	0.49	0.46	1.28	1.03	0.87	0.88	0.91	1.04	0.62	0.73	1.21	0.74	0.79	0.83	1.10	1.96	0.82	0.87	1.66	1.12	1.56	1.66	0.74	0.89	0.54	0.84
MYRISTIC ACID (M-H)-	ME202673	1.15	0.50	2.09	1.32	0.51	1.18	0.59	1.38	0.99	2.14	1.00	1.42	0.83	1.72	0.79	0.62	1.04	1.11	1.27	0.74	1.19	0.75	1.41	0.79	1.10	0.66	1.14	0.68	1.04	1.09	1.31	0.75	1.01	0.87
INOSINE 5^-DIPHOSPHATE (M-H)-	ME202659	0.16	1.09	0.56	NA	NA	NA	NA	NA	NA	NA	NA	0.66	NA	NA	0.97	NA	0.88	1.15	0.98	NA	0.77	1.31	1.04	0.71	0.96	0.99	1.59	1.19	NA	NA	1.02	1.08	NA	0.76
GLYCOLITHOCHOLIC ACID (M-H)-	ME202649	0.87	0.69	NA	NA	1.62	NA	1.74	0.95	1.38	NA	0.77	0.25	2.07	0.94	0.57	NA	0.57	0.35	0.56	NA	0.43	0.89	0.43	0.82	0.77	1.56	1.06	0.81	0.58	0.54	1.62	1.27	2.10	1.02
CORTISOL (M+CL)-	ME202630	1.48	0.30	2.87	1.23	0.46	1.43	0.63	1.59	1.58	1.86	0.73	1.81	0.76	2.05	0.94	0.51	0.83	0.61	1.14	0.99	0.83	0.62	1.13	0.88	0.84	0.97	1.02	0.78	0.54	1.05	1.34	0.85	0.68	1.01
DEOXYADENOSINE (M+CL)-	ME202634	1.10	NA	2.28	2.10	0.91	2.18	0.65	1.50	1.01	1.42	0.44	1.70	1.01	1.20	0.65	0.36	1.06	0.69	1.39	0.58	0.91	0.68	1.52	0.77	1.14	0.81	1.10	0.78	0.98	0.73	1.18	0.71	1.12	0.98
SALICYLURIC ACID (M-H)-	ME202694	NA	0.06	0.06	0.11	0.53	NA	NA	0.16	0.38	2.34	0.02	0.30	0.98	1.27	0.26	NA	0.43	0.03	1.11	0.13	0.02	0.03	0.06	1.27	0.03	0.06	0.85	6.56	0.16	0.43	1.06	0.48	1.17	0.09
N-ACETYL-DL-METHIONINE (M-H)-	ME202676	1.15	0.83	1.09	0.78	0.88	0.92	0.78	0.82	0.94	1.50	1.74	1.16	0.90	0.86	0.88	NA	0.83	0.71	0.83	0.73	0.78	0.91	1.02	1.29	0.94	0.87	1.31	0.94	2.16	2.18	0.89	0.90	0.98	1.12
IBUPROFEN (M-H)-	ME202655	0.00	NA	0.01	NA	NA	NA	NA	0.01	NA	NA	NA	0.02	NA	NA	0.53	NA	1.94	NA	0.04	3.86	0.06	0.00	0.13	0.52	0.00	0.32	0.01	0.46	NA	0.01	2.27	0.65	NA	23.04
HIPPURIC ACID (M-H)-	ME202652	0.29	0.14	NA	0.40	1.52	0.51	0.54	0.23	0.28	3.33	11.12	0.63	0.87	1.44	1.17	0.17	0.54	0.58	0.50	0.79	1.07	0.60	0.32	3.51	0.75	0.44	2.24	0.86	4.70	3.56	0.65	0.41	0.24	0.27
ERUCIC ACID (M-H)-	ME202642	1.81	0.41	0.80	1.05	0.14	1.22	0.47	1.28	1.36	0.92	0.47	1.46	0.56	1.56	1.00	0.12	1.22	0.60	2.41	0.63	0.87	0.82	1.31	0.66	1.09	0.93	1.09	0.75	0.94	0.78	1.34	0.65	1.24	0.95
CHOLIC ACID (M-H)-	ME202625	5.90	0.51	NA	0.11	0.50	NA	0.06	0.53	2.06	0.16	1.56	1.20	0.33	0.45	1.01	0.75	1.33	0.18	1.08	0.73	0.22	0.29	0.63	0.84	1.11	1.04	1.85	2.04	0.29	4.53	0.74	0.48	0.11	0.23
AZELAIC ACID (M-H)-	ME202621	0.67	0.92	0.58	0.54	0.94	0.83	21.68	0.94	0.46	0.64	1.08	0.87	0.83	0.53	0.71	0.68	0.86	1.14	0.68	0.89	0.80	0.75	0.67	1.25	0.69	0.83	0.87	0.95	0.64	0.92	0.79	0.93	0.71	0.82
16:0-18:0 PC (M+CL)-	ME202602	0.89	1.04	0.72	1.14	0.59	0.65	0.82	1.07	1.02	1.15	0.89	1.08	0.90	1.20	1.11	0.79	1.21	1.18	1.08	0.61	1.06	1.02	1.01	0.94	0.91	0.97	0.90	0.94	0.95	0.85	1.14	1.01	1.08	1.09
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	ME202606	0.95	0.88	0.65	1.16	1.28	0.70	1.18	0.91	1.27	2.27	1.22	1.33	1.22	1.06	0.91	0.68	0.92	0.98	0.83	1.38	0.90	0.76	1.01	0.90	0.97	0.80	1.05	1.11	1.74	1.65	1.02	0.79	1.03	0.89
TRYPTOPHAN (M-H)-	ME202706	0.88	0.70	0.77	0.84	1.37	0.75	1.10	0.90	0.94	0.79	1.16	0.84	1.06	0.81	1.05	1.32	0.84	0.96	1.02	1.05	0.95	1.18	0.95	0.96	0.96	1.09	0.87	1.09	0.78	1.08	0.93	1.12	0.85	1.12
TRANS-ACONITIC ACID (M-H)-	ME202702	0.89	NA	NA	1.26	1.04	0.98	0.80	1.20	0.97	1.04	1.00	1.25	0.97	1.04	1.07	0.89	1.03	0.99	0.94	0.73	0.74	0.80	1.07	1.03	0.98	0.80	1.04	0.85	1.56	1.27	1.17	0.87	1.43	1.07
GLUTARIC ACID (M-H)-	ME202646	NA	NA	NA	NA	NA	NA	NA	2.62	7.10	0.19	0.21	0.64	1.02	0.49	0.85	2.57	0.74	1.02	0.74	1.13	2.11	1.13	0.81	0.63	0.96	1.06	0.66	1.00	0.87	3.27	0.97	0.75	0.67	1.42
DOCOSAHEXAENOIC ACID (M-H)-	ME202639	1.04	0.58	1.20	1.75	0.20	2.25	0.97	1.14	0.78	1.07	0.72	1.55	0.52	1.23	0.70	0.28	1.01	1.00	1.86	0.69	1.18	0.81	1.45	0.78	1.33	0.72	1.14	0.62	0.90	0.50	1.40	0.72	1.34	0.94
DEOXYCHOLIC ACID (M-H)-	ME202637	0.50	1.11	0.11	0.26	0.93	NA	1.24	0.69	0.45	0.83	5.17	1.10	1.52	0.86	1.15	0.49	0.75	1.05	0.99	1.02	0.63	0.95	0.46	0.76	0.96	1.07	1.49	1.22	0.57	0.82	0.86	1.36	0.39	0.56
4-PYRIDOXIC ACID (M-H)-	ME202612	0.34	0.27	0.21	0.17	0.26	0.22	0.38	0.40	0.17	0.87	4.15	0.43	0.72	0.82	0.59	0.48	0.28	0.41	0.50	0.75	0.37	0.74	1.83	1.23	0.53	0.55	1.26	1.35	5.00	1.97	0.99	1.31	0.50	0.36
24:0 SM (D18:1/24:0) (M+CL)-	ME202605	1.27	1.24	0.82	1.09	0.49	0.50	0.39	1.27	0.83	0.96	0.81	1.42	0.87	1.36	1.01	0.43	1.11	1.08	0.98	0.72	1.31	0.87	1.08	0.91	1.06	0.86	0.96	0.82	0.99	0.73	1.22	0.97	0.71	1.13
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	ME202604	1.99	0.64	0.54	0.92	0.66	1.12	0.48	1.51	3.26	0.51	0.38	2.57	0.91	1.26	2.14	0.86	0.58	0.64	1.83	0.69	1.03	0.69	1.09	0.78	0.93	0.72	0.76	1.08	0.36	0.67	1.03	0.82	0.57	1.26
TRICOSANOIC ACID (M-H)-	ME202703	1.28	0.78	0.63	0.75	NA	NA	0.68	1.56	1.13	NA	NA	1.16	0.84	1.06	0.67	NA	1.27	0.81	1.08	0.95	1.01	0.78	0.76	0.87	1.07	1.02	1.06	0.86	0.66	0.61	1.21	1.24	0.82	NA
SEBACIC ACID (M-H)-	ME202695	0.97	0.94	0.89	0.89	0.62	0.96	7.51	1.02	0.93	2.96	0.85	1.42	0.75	1.55	0.83	0.56	0.88	0.89	0.81	0.72	0.93	0.61	1.14	0.96	0.92	0.72	0.88	0.75	0.96	0.95	1.58	0.79	0.69	0.74
PHENYLALANINE (M-H)-	ME202690	1.04	1.08	1.11	0.92	1.38	1.00	1.24	0.93	0.96	1.04	1.16	0.90	0.99	0.94	0.93	0.76	0.95	0.94	0.98	0.88	1.03	1.12	1.01	1.00	0.97	1.07	0.94	0.97	0.86	1.08	0.99	1.05	1.02	0.97
PALMITOLEIC ACID (M-H)-	ME202688	1.21	0.37	2.42	1.10	0.13	1.34	0.55	1.55	0.83	2.17	0.78	1.64	0.51	1.99	0.78	0.33	1.25	1.28	1.61	0.56	1.54	0.77	1.52	0.65	1.34	0.62	1.20	0.51	1.04	1.40	1.32	0.48	0.98	0.83
NERVONIC ACID (M-H)-	ME202682	1.25	0.71	0.79	1.15	0.34	1.18	0.53	1.28	1.29	1.24	0.87	1.46	0.80	1.38	0.93	0.25	1.08	0.71	1.55	0.69	0.99	0.85	1.13	0.67	1.15	0.89	1.03	0.76	1.18	0.93	1.30	0.86	1.41	0.92
IBUPROFEN CARBOXYLIC ACID (M-H)-	ME202658	0.01	NA	0.01	NA	NA	NA	0.01	17.01	0.01	10.83	0.17	0.05	0.00	0.21	0.39	NA	2.01	0.38	0.16	2.13	0.01	0.01	0.98	0.88	0.01	0.53	0.01	0.98	0.08	0.09	0.45	0.42	0.07	1.83
DUMP (M-H)-	ME202640	NA	NA	NA	2.86	0.79	NA	0.37	1.47	0.85	0.65	1.37	1.26	0.53	NA	1.62	NA	1.02	0.74	0.79	0.92	2.49	0.78	1.57	1.07	0.46	0.90	0.91	1.01	NA	1.24	0.68	0.94	0.43	1.63
DEHYDROEPIANDROSTERONE SULFATE (M-H)-	ME202633	0.51	0.79	0.52	NA	NA	NA	0.32	1.52	0.16	0.11	0.08	1.55	0.91	1.06	2.36	1.24	1.05	0.78	1.45	0.98	0.59	0.74	1.26	1.38	0.65	0.68	0.96	1.00	0.62	0.66	1.27	1.10	0.29	1.39
CITRAMALIC ACID (M-H)-	ME202628	NA	NA	NA	NA	NA	NA	NA	0.20	NA	NA	NA	0.50	0.57	NA	NA	0.39	0.36	NA	0.51	0.31	0.44	NA	0.54	0.77	1.07	0.18	0.18	NA	6.85	3.68	0.34	0.81	NA	0.73
BILIVERDIN (M-H)-	ME202623	NA	NA	NA	1.22	0.86	0.64	0.52	1.03	1.57	0.87	0.47	1.20	0.93	1.44	0.93	0.67	0.88	0.95	0.56	0.71	0.86	0.49	1.11	0.75	0.85	0.87	1.09	0.81	1.03	0.75	1.21	1.35	1.45	1.10
4-ACETAMINOPHEN SULFATE (M-H)-	ME202610	0.04	NA	NA	NA	0.16	NA	NA	0.12	0.00	0.01	0.20	NA	0.18	1.90	2.14	NA	0.03	0.94	NA	0.04	0.87	1.22	1.11	1.48	1.63	0.15	1.74	1.57	0.28	2.31	1.00	0.94	0.46	1.14
16:0 LYSO PC (M+CL)-	ME202601	0.99	1.06	0.97	0.98	0.90	1.12	0.93	0.98	1.01	0.90	0.95	1.07	1.01	1.04	0.92	0.98	1.02	1.07	1.06	1.01	1.06	1.03	1.00	0.99	1.01	0.98	1.00	0.99	0.78	0.94	1.01	0.99	1.02	1.04
1-METHYLXANTHINE (M-H)-	ME202600	0.37	0.25	0.21	NA	NA	NA	0.46	2.31	0.39	1.93	1.56	0.14	0.67	0.20	0.78	0.85	0.27	0.47	0.37	0.82	0.39	1.17	0.96	0.96	1.10	0.74	2.64	1.87	1.35	1.27	0.80	0.77	1.21	1.37
THYROXINE (M-H)-	ME202701	1.01	1.12	1.25	1.13	1.09	1.00	0.95	0.97	1.23	0.54	0.63	1.00	1.08	0.82	1.01	1.08	0.85	0.87	0.91	0.82	0.96	0.94	1.00	0.97	1.11	1.14	1.00	1.01	0.85	0.94	1.04	1.00	0.92	0.91
TAUROLITHOCHOLIC ACID (M-H)-	ME202699	0.49	0.60	1.68	1.02	1.23	0.99	0.76	1.13	1.66	NA	3.01	1.02	0.72	0.73	0.93	NA	1.03	0.90	1.02	1.31	1.06	0.87	1.02	0.88	0.92	0.89	0.97	0.99	NA	1.09	1.07	0.98	2.52	0.84
STEARIC ACID (M-H)-	ME202696	1.26	0.68	1.13	1.53	0.37	1.42	0.52	1.33	0.88	1.27	0.96	1.50	0.74	1.64	0.74	0.44	1.19	0.85	1.35	0.63	1.07	0.76	1.28	0.69	1.27	0.75	1.16	0.64	0.88	0.60	1.55	0.72	1.23	0.98
L-HISTIDINE (M-H)-	ME202663	0.92	1.26	0.82	1.04	1.48	0.83	0.66	0.79	1.01	0.86	1.31	0.94	1.03	0.74	1.01	0.79	0.87	1.16	1.00	1.07	1.04	0.92	0.92	1.07	0.99	1.07	1.04	0.91	0.94	0.99	1.00	1.11	0.77	1.03
GLYCOCHOLIC ACID (M-H)-	ME202648	1.68	3.06	0.03	0.70	1.50	0.03	0.66	0.16	4.30	0.01	1.29	1.03	2.33	0.24	0.46	0.22	0.59	0.33	0.61	0.36	1.20	1.51	0.62	1.99	0.93	1.51	0.63	1.13	0.25	0.56	0.57	1.05	1.04	0.99
DEOXYCHOLIC ACID (2M-H)-	ME202635	0.47	0.59	NA	NA	0.21	NA	0.32	0.16	0.26	0.15	4.59	0.58	0.76	0.21	0.38	0.19	0.20	0.56	0.57	0.52	0.13	0.21	0.18	0.18	0.56	0.52	1.91	5.58	0.15	0.97	0.56	0.93	0.18	0.14
GLYCOCHOLIC ACID (2M-H)-	ME202647	1.55	1.88	NA	NA	0.42	NA	0.36	NA	4.20	NA	0.28	1.44	1.77	NA	0.10	NA	0.61	0.09	0.30	NA	0.65	1.93	1.39	2.28	0.50	1.14	0.70	1.12	NA	0.18	0.50	0.72	1.24	0.47
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	ME202664	0.97	0.98	1.03	1.05	1.04	1.07	1.00	1.00	0.94	0.97	1.02	0.96	1.00	0.99	0.95	1.05	0.98	1.00	0.98	0.99	1.01	0.99	0.97	0.97	1.01	1.07	0.98	0.99	0.98	0.94	1.01	1.01	1.03	1.01
SALICYLATE #2 (M-H)-	ME202693	0.06	NA	NA	0.37	1.04	0.07	0.14	0.19	0.54	11.59	0.16	0.71	2.18	8.91	0.16	0.03	0.64	0.14	1.05	0.14	0.12	0.11	0.10	0.09	0.09	0.16	0.83	4.36	0.06	0.10	1.87	0.49	3.63	0.10
ZEATIN [ISTD] (M-H)-	ME202714	1.01	1.05	1.06	1.09	1.09	1.06	1.07	1.07	1.00	0.96	0.87	1.05	1.01	1.03	1.00	1.12	1.03	1.03	0.95	0.90	1.04	0.99	1.01	0.95	1.05	1.06	0.93	0.96	0.96	0.88	1.00	1.01	0.90	1.01
MANDELIC ACID (M-H)-	ME202671	NA	NA	NA	NA	0.55	NA	0.57	0.43	NA	NA	NA	0.66	1.05	NA	0.58	NA	NA	NA	0.63	1.12	NA	1.01	1.51	0.99	0.48	0.34	1.45	0.93	2.48	5.90	0.66	0.67	NA	0.45
SUBERIC ACID (M-H)-	ME202697	0.99	NA	0.77	0.72	0.79	0.71	4.71	1.41	0.70	1.23	0.62	0.96	0.77	0.73	0.73	0.40	0.82	1.19	0.75	0.74	1.26	0.62	0.81	1.80	0.82	0.75	1.02	0.84	1.42	2.79	0.87	1.03	0.83	0.64
3-METHYLXANTHINE (M-H)-	ME202609	0.40	0.22	0.61	NA	NA	NA	3.86	0.56	0.55	NA	NA	0.35	0.39	0.30	0.36	2.16	0.70	1.10	1.33	1.93	0.79	1.53	0.45	0.69	2.96	0.52	0.44	1.09	2.58	1.38	1.41	1.04	NA	0.83
HYPOXANTHINE (M-H)-	ME202654	1.21	0.81	0.14	1.73	2.17	0.84	0.71	1.02	1.23	1.38	0.51	0.90	0.66	0.67	0.51	0.70	0.98	0.94	0.70	1.28	1.03	0.54	1.49	0.87	1.01	0.95	1.15	0.88	0.94	0.75	1.26	0.93	0.56	1.29
4-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME202611	0.90	NA	NA	0.93	0.93	1.16	0.87	0.97	1.34	1.04	0.75	1.34	1.02	1.10	1.19	0.55	0.87	0.68	1.50	1.02	0.83	0.94	1.15	0.83	1.04	0.85	0.94	1.00	0.73	0.84	1.07	1.03	0.90	1.14
XANTHINE (M-H)-	ME202712	0.55	0.63	1.53	0.88	0.40	1.61	1.26	1.22	0.58	0.74	0.62	1.17	0.60	0.92	0.63	0.52	0.85	0.82	1.24	0.74	0.95	0.55	1.52	0.76	0.99	0.77	1.03	0.74	0.86	0.54	2.18	0.70	0.78	0.81
HEXACOSANOIC ACID (M-H)-	ME202651	1.17	0.84	0.50	0.82	0.57	0.46	0.43	1.24	1.08	0.56	0.95	1.16	0.81	1.06	0.91	NA	2.09	0.81	1.11	0.61	0.80	0.78	0.69	0.87	0.88	1.27	0.79	0.67	0.60	4.00	1.18	0.93	0.60	0.72
LAURIC ACID (M-H)-	ME202666	1.23	0.71	1.46	0.72	0.36	1.11	0.61	1.00	1.45	1.52	0.74	1.19	0.68	1.41	0.74	0.60	1.06	1.30	0.99	0.96	1.24	0.72	1.36	0.80	0.94	0.71	1.06	0.98	0.95	0.61	1.20	1.07	0.83	0.73
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	ME202665	0.94	1.06	1.27	0.90	1.06	0.20	1.07	0.50	0.82	0.75	0.59	1.01	0.97	1.09	1.01	1.00	1.03	0.96	0.92	0.95	1.03	1.06	1.10	1.11	0.99	1.19	0.87	1.08	1.00	0.94	0.91	1.05	0.41	0.84
5-HYDROXYTRYPTOPHAN (M-H)-	ME202615	1.13	0.51	0.93	0.64	0.85	0.68	0.79	0.95	1.41	1.54	1.63	0.90	1.03	0.89	0.97	1.00	0.78	1.03	0.73	0.82	1.01	0.80	0.83	1.71	1.03	1.00	1.26	0.93	1.65	1.08	0.95	0.98	0.67	0.84
ARACHIDIC ACID (M-H)-	ME202619	1.39	0.68	0.69	1.00	0.25	0.95	0.47	1.21	0.80	0.90	0.58	1.41	0.70	1.52	0.58	0.30	1.76	0.73	1.21	0.53	0.82	0.64	1.18	0.75	1.11	0.95	1.02	0.67	0.58	0.92	1.60	0.83	1.40	0.97
TRIDECANOIC ACID (M-H)-	ME202704	0.81	NA	0.91	0.81	0.59	0.91	0.58	1.53	0.90	NA	NA	0.96	0.95	1.37	0.72	NA	1.45	0.73	1.02	1.16	0.78	0.75	1.09	1.18	1.32	0.89	1.14	0.84	NA	0.87	1.07	0.92	1.69	0.78
PHYTANIC ACID (M-H)-	ME202691	1.48	0.40	0.96	1.05	0.35	1.25	0.71	2.21	1.63	3.21	1.69	1.58	1.05	1.19	0.96	0.78	0.95	0.69	1.55	0.78	1.04	0.76	1.19	0.70	1.16	0.72	1.10	0.80	0.83	0.74	1.17	0.74	1.20	0.91
TYROSINE (M-H)-	ME202707	0.99	1.37	0.69	0.91	1.66	0.58	1.34	0.86	0.79	0.62	0.79	0.73	1.21	0.96	1.04	0.99	0.98	0.93	0.95	1.14	0.99	1.28	0.84	0.98	0.87	1.09	0.89	1.12	0.84	1.07	0.88	1.10	0.93	1.15
CITRIC ACID (M-H)-	ME202629	1.62	0.62	0.46	1.84	1.74	0.33	0.29	1.43	1.39	1.70	1.57	0.85	0.71	0.47	1.27	0.58	1.08	1.01	0.85	0.93	1.16	1.28	1.01	0.85	0.91	1.12	1.22	0.95	1.07	1.19	0.91	0.84	1.86	0.86

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