Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomics of bariatric weight loss (Study ST000743)

C18 NEGATIVE ION MODE (Analysis AN001161)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
N-(octadecanoyl)-sphinganine; [M-H]-@7.61	ME205941	0.97	0.87	4.01	0.89	0.14	0.11	1.18	0.32
PI 36:1; [M-H]-@6.34	ME206019	0.66	1.15	0.42	1.22	1.74	1.25	1.27	0.86
plasmenyl-PE 36:5; [M-H]-@6.28	ME206047	0.70	0.95	0.70	0.73	2.66	0.50	1.30	1.51
PS 38:4; [M-H]-@6.00	ME206028	1.44	0.42	0.97	1.01	1.15	1.98	0.71	0.76
PE 37:2; [M-H]-@6.45	ME205990	0.90	0.91	0.50	0.85	1.01	0.58	1.38	2.43
plasmenyl-PE 34:3; [M-H]-@6.33	ME206042	0.77	0.83	0.70	0.98	1.63	0.86	1.63	1.83
lysoPE 18:2; [M-H]-@1.37	ME206033	1.23	0.79	0.76	1.32	0.53	1.29	1.01	1.00
PC 38:2; [M-Ac-H]-@7.51	ME205964	1.09	0.98	0.68	1.26	0.60	1.29	0.67	1.20
PG 33:0; [M-H]-@6.09	ME206009	1.03	1.07	0.38	0.93	0.56	0.89	1.29	1.59
PA 36:4; [M-H]-@6.24	ME205945	1.08	1.08	0.57	1.15	0.69	0.96	0.53	1.47
PC 32:3; [M-Ac-H]-@5.18	ME205949	1.02	0.98	0.49	1.27	0.50	1.15	0.92	1.66
plasmenyl-PE 40:3; [M-H]-@8.06	ME206054	0.99	1.04	0.50	0.98	0.64	1.25	0.91	1.61
PC 37:2; [M-Ac-H]-@7.24	ME205959	0.88	0.86	0.31	1.27	0.98	1.30	0.78	2.39
PG 32:0; [M-H]-@5.80	ME206008	0.96	1.02	0.24	1.59	0.63	0.71	0.85	2.04
PI 38:5; [M-H]-@5.35	ME206025	0.86	0.95	0.40	1.70	0.87	0.65	0.99	2.16
PC 30:2; [M-Ac-H]-@4.92	ME205947	0.55	1.09	0.29	2.27	1.13	0.72	0.62	2.41
PC 42:10; [M-Ac-H]-@5.75	ME205972	0.91	0.69	0.59	2.36	1.35	0.67	0.85	1.78
PE 32:1; [M-H]-@6.24	ME205974	1.04	1.18	0.54	2.67	0.72	0.26	0.65	0.31
PI 34:1; [M-H]-@5.74	ME206017	0.93	1.00	0.83	2.29	1.28	0.31	0.95	0.65
PC 28:0; [M-Ac-H]-@5.28	ME205946	0.79	1.18	0.93	2.29	1.00	0.35	0.67	0.90
PI 36:4; [M-H]-@5.28	ME206022	0.89	1.02	0.88	2.48	0.78	0.39	0.92	0.90
PE 33:2; [M-H]-@6.06	ME205976	1.14	0.96	1.19	1.62	0.55	0.56	0.87	0.83
PC 32:2; [M-Ac-H]-@5.61	ME205948	1.13	0.93	0.41	1.92	0.80	0.36	1.24	1.01
lysoPE 20:3; [M-H]-@1.63	ME206034	1.06	1.14	0.71	1.82	0.64	0.31	0.92	0.79
PI 34:2; [M-H]-@5.28	ME206018	1.20	0.91	0.64	1.88	0.88	0.53	0.80	0.85
PE 33:1; [M-H]-@6.53	ME205975	1.05	1.39	0.40	1.95	0.44	0.18	0.95	0.31
PG 36:3; [M-H]-@5.33	ME206015	0.89	1.13	0.69	2.08	0.74	0.71	1.30	0.42
N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44	ME205940	0.92	1.23	2.74	0.72	0.42	0.41	0.59	0.55
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.84	ME205939	0.84	0.89	2.51	1.14	0.73	0.37	1.11	1.21
FFA(24:1)	ME205934	0.81	1.19	2.04	0.76	0.66	0.60	1.12	0.82
FFA(20:1)	ME205926	0.88	1.15	2.26	0.91	0.89	0.34	0.72	0.74
FFA(24:2)	ME205935	0.79	1.16	2.32	1.06	0.66	0.45	1.02	0.66
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.47	ME205937	0.79	1.21	2.18	0.99	0.87	0.59	0.98	0.40
PC 35:3; [M-Ac-H]-@6.12	ME205956	0.92	0.99	1.74	0.70	0.37	0.95	1.86	0.72
PC 35:4; [M-Ac-H]-@5.94	ME205957	0.86	1.00	1.34	1.41	0.44	0.50	1.78	1.08
PG 38:4; [M-H]-@6.09	ME206016	1.11	0.77	1.10	1.00	0.73	0.65	2.30	0.69
PE 38:1; [M-H]-@7.35	ME205995	0.69	1.07	0.98	1.47	0.79	1.05	1.29	1.40
PA 34:2; [M-H]-@6.28	ME205944	0.99	0.86	0.94	1.22	1.54	0.80	0.92	1.16
PC 37:3; [M-Ac-H]-@6.77	ME205960	1.11	0.97	1.03	1.09	1.18	0.53	0.58	1.30
plasmenyl-PE 34:2; [M-H]-@6.71	ME206041	0.86	1.01	0.74	1.00	1.44	0.76	1.46	1.11
plasmenyl-PE 36:2; [M-H]-@7.33	ME206044	0.88	1.08	0.78	0.79	1.45	0.87	1.24	1.03
plasmenyl-PE 36:3; [M-H]-@6.90	ME206045	0.88	1.05	1.02	0.92	1.29	0.88	1.21	0.96
PE 38:2; [M-H]-@6.86	ME205996	1.08	0.74	1.29	1.25	0.86	0.66	1.39	1.25
PE 38:3; [M-H]-@6.49	ME205997	0.90	0.93	1.35	1.32	1.04	0.55	1.17	1.27
CL 78:5; [M-2H](2-)@6.45	ME205916	1.10	0.93	1.04	0.83	1.07	0.58	1.05	1.31
PC 35:2; [M-Ac-H]-@6.58	ME205955	1.01	0.88	1.12	1.07	1.06	0.77	1.14	1.30
FFA(22:0)	ME205929	0.96	0.97	1.08	1.00	0.97	0.78	1.38	1.06
PC 33:2; [M-Ac-H]-@6.00	ME205951	1.03	0.83	1.19	1.25	1.02	0.85	1.21	1.04
PI 38:4; [M-H]-@5.88	ME206024	0.81	1.17	1.40	1.35	1.14	0.36	1.20	0.61
PI 40:6; [M-H]-@5.84	ME206027	0.96	1.07	1.32	0.94	1.51	0.26	1.25	0.61
PI 40:5; [M-H]-@5.99	ME206026	0.83	1.00	1.28	1.72	1.71	0.35	1.06	0.55
PC 40:8; [M-Ac-H]-@5.80	ME205970	0.80	0.96	0.99	1.75	1.46	0.55	1.24	0.95
PI 38:3; [M-H]-@6.13	ME206023	0.77	1.01	1.10	1.81	1.52	0.48	1.09	0.86
PI 36:2; [M-H]-@5.95	ME206020	1.05	0.81	1.02	1.59	1.14	0.52	1.64	0.63
PI 36:3; [M-H]-@5.41	ME206021	0.90	0.84	0.99	1.90	1.07	0.57	1.44	1.05
PC 40:9; [M-Ac-H]-@5.38	ME205971	0.82	1.19	1.42	1.37	0.86	0.42	1.77	0.10
PE 36:1; [M-H]-@7.44	ME205984	1.00	1.10	0.52	1.02	0.69	0.94	1.79	0.66
PG 36:1; [M-H]-@6.44	ME206013	1.17	1.06	0.50	0.55	0.91	0.72	1.63	0.76
PE 36:2; [M-H]-@6.99	ME205985	1.09	0.85	0.70	1.34	0.89	1.14	1.51	0.68
PE 34:2; [M-H]-@6.42	ME205978	1.11	0.95	1.02	1.27	0.65	1.09	1.22	0.52
CL 74:5; [M-2H](2-)@6.55	ME205914	1.11	0.96	0.71	1.30	0.71	1.31	1.27	0.40
PE 36:3; [M-H]-@6.54	ME205986	1.01	0.96	0.78	1.37	0.52	1.48	1.49	0.48
PG 34:2; [M-H]-@5.50	ME206011	0.81	1.08	1.13	1.30	0.61	1.10	1.65	0.65
PE 34:3; [M-H]-@5.95	ME205979	1.15	0.93	0.92	1.41	0.47	0.81	1.68	0.39
PE 35:2; [M-H]-@6.68	ME205981	1.09	0.93	0.97	1.41	0.68	0.77	1.52	0.59
PG 36:2; [M-H]-@5.97	ME206014	0.92	1.27	0.98	0.96	0.63	0.67	1.67	0.34
CL 72:5; [M-2H](2-)@6.24	ME205913	0.85	1.22	0.67	1.24	0.94	0.84	1.35	0.68
plasmenyl-PE 32:1; [M-H]-@6.58	ME206038	0.95	1.16	0.65	1.30	1.11	0.57	1.24	0.67
PE 36:5; [M-H]-@5.96	ME205988	0.94	1.33	0.89	1.28	0.47	0.39	1.42	0.47
PC 40:4; [M-Ac-H]-@7.33	ME205967	0.93	1.15	0.95	1.42	0.71	0.57	1.22	0.79
PE 37:3; [M-H]-@6.92	ME205991	0.72	1.40	1.05	1.20	0.56	0.72	1.28	0.71
PE 36:6; [M-H]-@5.61	ME205989	0.65	1.81	0.62	0.70	0.62	0.45	1.04	0.74
PC 39:6; [M-Ac-H]-@6.46	ME205966	1.09	1.10	1.42	0.49	1.56	0.46	0.75	0.56
PC 34:4; [M-Ac-H]-@5.54	ME205953	1.00	1.29	0.73	1.22	0.37	0.46	1.06	1.03
lysoPE 18:1; [M-H]-@1.83	ME206032	1.07	1.15	0.68	0.96	0.45	0.86	1.10	1.02
PC 36:5; [M-Ac-H]-@5.70	ME205958	0.99	1.25	0.81	0.87	0.58	0.50	1.23	1.04
PE 34:1; [M-H]-@6.86	ME205977	1.10	1.39	0.81	0.92	0.40	0.71	0.84	0.36
PE 40:4; [M-H]-@7.42	ME206003	1.21	1.31	0.70	0.92	0.39	0.76	0.88	0.28
lysoPE 18:0; [M-H]-@2.44	ME206031	1.23	1.20	1.02	0.88	0.50	0.48	0.54	0.85
PC 33:1; [M-Ac-H]-@6.46	ME205950	1.26	1.14	0.96	0.86	0.67	0.61	0.58	0.75
lysoPE 16:0; [M-H]-@1.65	ME206029	1.02	1.26	1.14	1.29	0.53	0.40	0.78	0.72
lysoPE 22:5; [M-H]-@1.54	ME206036	1.00	1.34	1.14	1.08	0.46	0.40	0.81	0.72
PE 32:0; [M-H]-@6.75	ME205973	1.05	1.33	1.17	1.04	0.43	0.43	0.85	0.56
PE 35:1; [M-H]-@7.12	ME205980	1.23	1.16	0.79	0.57	0.90	0.69	1.16	0.34
plasmenyl-PE 42:6; [M-H]-@7.75	ME206059	1.24	1.08	1.17	0.72	0.81	0.63	0.94	0.43
PE 37:5; [M-H]-@6.19	ME205993	1.09	1.33	0.72	0.57	0.86	0.89	0.64	0.66
plasmenyl-PE 38:2; [M-H]-@7.83	ME206049	0.89	1.31	0.92	0.64	0.81	1.08	1.01	0.72
plasmenyl-PE 34:1; [M-H]-@7.16	ME206040	0.85	1.30	0.96	0.73	1.03	0.84	1.06	0.76
plasmenyl-PE 36:1; [M-H]-@7.73	ME206043	0.82	1.31	0.75	0.77	0.95	0.89	1.26	0.89
FFA(24:0)	ME205933	0.92	1.00	1.49	0.64	0.65	1.38	1.09	1.03
lysoPE 17:0; [M-H]-@2.05	ME206030	0.79	1.43	1.36	0.42	0.80	0.98	0.54	1.01
PG 33:1; [M-H]-@6.55	ME206010	1.05	0.87	1.31	0.95	0.96	1.03	0.64	1.46
PC 34:3; [M-Ac-H]-@5.81	ME205952	1.29	1.09	0.66	0.57	0.56	0.88	0.77	1.03
plasmenyl-PE 38:1; [M-H]-@8.25	ME206048	1.25	1.13	0.69	0.33	0.47	1.12	0.89	0.96
PE 40:3; [M-H]-@7.12	ME206002	1.28	0.88	1.08	0.57	1.08	0.88	0.89	0.85
CerP 32:1; [M-H]-@5.13	ME205918	1.07	1.07	1.05	0.93	0.49	0.89	0.73	1.34
PC 35:1; [M-Ac-H]-@7.09	ME205954	0.92	1.22	1.02	0.88	0.84	0.68	0.76	1.25
PC 40:6; [M-Ac-H]-@6.69	ME205969	1.19	1.13	1.09	0.45	0.77	0.72	0.63	1.07
PE 36:0; [M-H]-@7.86	ME205983	1.11	1.07	1.08	0.76	0.84	1.19	0.67	0.76
PG 36:0; [M-H]-@6.90	ME206012	1.15	0.95	1.18	0.72	0.69	1.18	0.73	1.09
FFA(18:0)	ME205922	1.09	1.06	1.01	0.75	0.76	1.05	0.75	1.07
FFA(20:0)	ME205925	1.09	1.01	0.94	0.83	0.74	1.19	0.78	1.11
CerP 34:2; [M-H]-@5.34	ME205920	1.26	1.01	1.16	0.71	0.47	0.99	0.73	0.88
FFA(16:0)	ME205921	1.08	1.10	1.23	0.73	0.69	0.93	0.69	1.01
FFA(20:4) Arachidonic acid	ME205928	0.85	1.47	2.00	0.43	0.42	0.65	0.48	0.76
FFA(22:2)	ME205931	0.89	1.39	1.60	0.85	0.66	0.43	0.61	0.76
FFA(22:3)	ME205932	0.74	1.45	1.75	1.06	0.63	0.39	0.81	0.60
FFA(20:2)	ME205927	1.05	1.23	1.83	0.69	0.58	0.58	0.48	0.73
lysoPE 22:6; [M-H]-@1.30	ME206037	1.05	1.27	1.55	0.48	0.66	0.47	0.75	0.80
plasmenyl-PE 36:4; [M-H]-@6.65	ME206046	0.88	1.25	1.47	0.67	0.96	0.71	0.81	0.86
plasmenyl-PE 38:3; [M-H]-@7.53	ME206050	0.81	1.18	1.28	0.88	1.16	0.65	0.99	1.05
PA 34:1; [M-H]-@6.72	ME205943	0.89	1.11	1.36	1.00	1.10	0.90	0.87	0.76
plasmenyl-PE 38:4; [M-H]-@7.24	ME206051	0.86	1.19	1.25	0.95	1.27	0.75	0.86	0.71
PC 37:4; [M-Ac-H]-@6.53	ME205961	0.98	1.09	1.64	1.17	0.62	0.64	0.91	0.76
plasmenyl-PE 40:5; [M-H]-@7.37	ME206056	0.87	1.06	1.89	1.08	0.81	0.77	0.82	0.91
N-(docosanoyl)-sphing-4-enine; [M-H]-@8.46	ME205938	0.92	1.09	1.58	0.79	0.76	0.54	1.38	0.94
plasmenyl-PE 40:4; [M-H]-@7.76	ME206055	0.97	1.22	1.42	0.83	0.64	0.78	0.99	0.61
lysoPE 20:4; [M-H]-@1.34	ME206035	1.03	1.19	1.42	0.81	0.49	0.58	0.95	0.86
plasmenyl-PE 42:5; [M-H]-@7.88	ME206058	1.09	1.17	1.30	0.67	0.73	0.60	0.91	0.77
PC 37:5; [M-Ac-H]-@6.06	ME205962	0.84	1.16	1.57	0.90	0.71	0.61	1.09	1.12
plasmenyl-PE 34:0; [M-H]-@7.23	ME206039	0.88	1.15	1.45	0.98	0.97	0.48	1.03	0.96
CerP 34:1; [M-H]-@5.84	ME205919	0.99	1.06	1.48	0.92	0.84	0.54	1.05	0.99
PC 40:5; [M-Ac-H]-@7.06	ME205968	0.91	1.15	1.47	1.03	0.76	0.50	0.97	1.00
FFA(22:1)	ME205930	0.98	1.12	1.33	0.97	0.73	0.71	0.91	0.95
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.92	ME205942	0.83	1.15	1.39	1.14	0.87	0.85	0.92	0.91
PC 39:5; [M-Ac-H]-@6.66	ME205965	0.96	1.07	1.77	0.66	0.95	0.91	0.53	1.04
FFA(18:2)	ME205924	0.99	1.07	1.91	0.77	0.74	0.62	0.86	0.86
FFA(18:1)	ME205923	1.00	1.09	1.80	0.92	0.87	0.39	0.80	0.87
PC 37:6; [M-Ac-H]-@5.80	ME205963	0.97	1.07	1.77	0.72	1.00	0.40	0.95	1.00
plasmenyl-PE 38:5; [M-H]-@6.74	ME206052	0.87	1.01	1.79	0.91	1.26	0.54	1.05	0.95
plasmenyl-PE 38:6; [M-H]-@6.52	ME206053	0.87	1.12	1.80	0.66	1.09	0.65	0.92	0.89
plasmenyl-PE 40:6; [M-H]-@7.17	ME206057	0.93	1.05	1.87	0.57	1.20	0.54	0.87	1.02
FFA(24:3)	ME205936	0.86	1.25	1.74	0.89	0.73	0.66	1.29	0.27
CL 74:7; [M-2H](2-)@6.09	ME205915	0.99	1.23	1.43	0.93	0.58	0.94	0.93	0.30
PE 36:4; [M-H]-@6.22	ME205987	0.94	1.27	1.59	0.92	0.40	0.91	0.94	0.36
CL 82:15; [M-2H](2-)@5.91	ME205917	0.81	1.53	1.05	0.84	0.59	0.60	1.14	0.44
PE 40:5; [M-H]-@7.12	ME206004	0.87	1.50	1.09	0.80	0.69	0.54	0.96	0.45
PE 40:6; [M-H]-@6.89	ME206005	1.04	1.43	1.05	0.48	0.63	0.52	1.09	0.38
PE 40:7; [M-H]-@6.38	ME206006	0.84	1.65	1.07	0.36	0.59	0.63	1.13	0.29
PE 37:4; [M-H]-@6.65	ME205992	1.04	1.44	1.36	0.64	0.42	0.53	0.65	0.50
PE 39:6; [M-H]-@6.56	ME206001	0.97	1.66	1.07	0.41	0.61	0.32	0.75	0.35
PE 38:6; [M-H]-@6.12	ME205999	0.91	1.41	1.87	0.44	0.72	0.30	1.09	0.27
PE 37:6; [M-H]-@5.97	ME205994	1.06	1.51	1.27	0.59	0.51	0.15	1.15	0.09
PE 38:7; [M-H]-@5.81	ME206000	0.85	1.41	1.82	0.86	0.39	0.18	1.29	0.42
PE 35:4; [M-H]-@6.06	ME205982	1.02	1.34	1.50	0.92	0.39	0.24	1.21	0.31
PE 38:5; [M-H]-@6.51	ME205998	0.87	1.44	1.39	0.92	0.45	0.46	1.24	0.33
PE 40:8; [M-H]-@5.99	ME206007	0.82	1.56	1.34	0.75	0.46	0.45	1.05	0.43

Factors:

F1	Gender:female \| Glycemic status:diabetic \| Neuropathy:Neuropathy
F2	Gender:female \| Glycemic status:diabetic \| Neuropathy:no neuropathy
F3	Gender:female \| Glycemic status:normoglycemic \| Neuropathy:Neuropathy
F4	Gender:female \| Glycemic status:normoglycemic \| Neuropathy:no neuropathy
F5	Gender:male \| Glycemic status:diabetic \| Neuropathy:Neuropathy
F6	Gender:male \| Glycemic status:diabetic \| Neuropathy:no neuropathy
F7	Gender:male \| Glycemic status:pre-diabetic \| Neuropathy:Neuropathy
F8	Gender:male \| Glycemic status:pre-diabetic \| Neuropathy:no neuropathy

Data matrix