Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomic Markers of Dietary Patterns in the Costa Rica Study (Study ST000992)

C18 HRMSMS NEGATIVE ION MODE (Analysis AN001620)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
PE 38:1; [M-H]-	ME248203	1.82	0.07	1.07	0.19	0.05	0.06
CL 78:1; [M-2H](2-)	ME248082	1.64	0.13	1.12	0.09	0.04	0.03
plasmenyl-PE 38:1; [M-H]-	ME248249	1.60	0.17	1.12	0.19	0.10	0.11
PS 38:4; [M-H]-	ME248262	0.77	0.65	1.05	0.89	1.83	1.72
PG 33:1; [M-H]-	ME248222	0.94	1.73	0.95	1.09	0.63	2.19
PI 38:4; [M-H]-	ME248234	1.01	1.27	1.00	0.86	1.08	1.44
PI 40:5; [M-H]-	ME248237	1.09	1.13	0.98	0.90	1.06	1.36
PC 40:8; [M-Ac-H]-	ME248180	1.09	1.36	0.96	0.86	0.96	1.88
PI 38:3; [M-H]-	ME248233	1.14	1.56	0.94	0.90	0.90	1.67
IS PG 34:0 ;[M-H]-	ME248108	0.99	1.08	0.98	1.06	0.70	2.13
PG 34:0; [M-H]-	ME248223	0.99	1.08	0.98	1.06	0.70	2.13
PC 31:0; [M-Ac-H]-	ME248135	0.84	0.61	1.10	0.93	0.58	1.84
PG 33:0; [M-H]-	ME248221	1.09	0.73	1.01	0.92	0.58	1.77
IS PC 34:0;[M-Ac-H]-	ME248106	0.97	1.04	1.00	1.03	0.69	1.80
PC 34:0; [M-Ac-H]-	ME248145	0.97	1.04	1.00	1.04	0.69	1.77
IS PI 37:4 ;[M-H]-	ME248109	1.08	1.02	0.98	0.98	0.78	1.73
PI 37:4; [M-H]-	ME248232	1.07	1.02	0.98	0.98	0.78	1.68
PE 36:0; [M-H]-	ME248193	1.04	0.95	1.04	0.81	0.63	1.50
PA 34:0; [M-H]-_R3	ME248127	1.09	1.01	0.99	1.02	0.50	1.53
PC 33:0; [M-Ac-H]-	ME248142	1.12	1.06	0.98	1.02	0.49	1.69
CL 74:4; [M-2H](2-)	ME248079	1.40	0.39	0.81	1.60	0.91	0.71
CL 74:5; [M-2H](2-)	ME248080	1.24	0.42	1.07	0.65	0.58	1.01
PE 36:3; [M-H]-_R1	ME248198	1.17	0.52	1.09	0.66	0.37	1.09
PC 42:1; [M-Ac-H]-	ME248181	1.09	0.43	1.16	0.64	0.17	0.04
PE 38:4; [M-H]-_R1	ME248206	1.00	0.65	1.18	0.55	0.19	0.50
plasmenyl-PE 40:3; [M-H]-	ME248255	0.95	0.50	1.18	0.61	0.36	0.54
CL 78:5; [M-2H](2-)	ME248085	0.91	1.13	1.13	0.73	0.12	NA
PC 29:0; [M-Ac-H]-	ME248132	0.84	0.90	1.11	0.93	0.64	0.11
PE 40:5; [M-H]-_R1	ME248214	0.93	0.92	1.05	1.15	0.39	0.24
PE 38:5; [M-H]-_R1	ME248209	1.28	0.68	1.04	0.95	0.32	0.12
PC 36:0; [M-Ac-H]-	ME248155	1.09	1.05	1.00	1.05	0.41	NA
PE 36:2; [M-H]-_R1	ME248195	1.30	1.00	0.99	0.87	0.51	0.12
PG 27:0; [M-H]-	ME248220	0.77	1.55	1.07	1.00	0.45	NA
PE 35:2; [M-H]-	ME248192	1.19	1.56	0.94	0.96	0.91	0.27
CL 72:3; [M-2H](2-)	ME248077	1.13	1.81	0.93	1.09	0.75	0.25
CL 66:1; [M-2H](2-)	ME248073	1.16	1.96	0.92	1.10	0.46	0.28
PE 32:1; [M-H]-	ME248186	1.07	1.74	0.93	1.22	0.50	0.23
PE 36:5; [M-H]-	ME248201	1.00	1.66	0.94	1.24	0.68	0.43
PA 38:2; [M-H]-	ME248129	1.05	1.72	0.95	1.17	0.71	0.56
PG 36:2; [M-H]-	ME248225	1.04	1.67	0.95	1.12	0.60	0.65
CL 82:11; [M-2H](2-)	ME248087	1.23	1.92	0.83	1.33	0.83	0.49
CL 70:5; [M-2H](2-)	ME248076	1.23	1.85	0.85	1.35	0.52	0.44
PE 34:3; [M-H]-	ME248191	1.21	1.84	0.86	1.30	0.57	0.54
PE 40:6; [M-H]-_R2	ME248217	1.18	1.83	0.87	1.33	0.47	0.55
PA 36:2; [M-H]-	ME248128	1.13	1.19	0.92	1.03	1.43	0.90
plasmenyl-PE 36:5; [M-H]-	ME248248	0.86	1.08	1.01	1.09	1.28	0.46
PE 36:2; [M-H]-_R3	ME248197	1.16	1.33	0.87	1.28	1.26	0.55
plasmenyl-PE 34:2; [M-H]-	ME248242	1.14	1.15	0.93	1.11	1.17	0.66
PE 38:3; [M-H]-_R1	ME248204	0.89	1.29	1.05	0.92	0.01	0.81
PC 32:3; [M-Ac-H]-	ME248141	1.05	1.53	0.91	1.39	0.49	0.91
PC 34:5; [M-Ac-H]-	ME248150	0.99	1.48	0.94	1.16	0.94	1.03
plasmenyl-PE 32:1; [M-H]-	ME248239	1.24	1.39	0.97	0.98	0.35	0.41
PE 40:4; [M-H]-	ME248213	0.97	1.22	1.04	0.95	0.57	0.29
plasmenyl-PE 34:3; [M-H]-	ME248243	0.98	1.18	1.06	0.87	0.64	0.45
PC 30:1; [M-Ac-H]-	ME248134	1.19	1.32	0.97	0.94	0.61	0.51
PC 39:6; [M-Ac-H]-	ME248174	1.13	1.35	1.00	0.93	0.55	0.44
PC 35:4; [M-Ac-H]-	ME248154	1.09	1.27	0.99	0.95	0.71	0.53
PC 32:1; [M-Ac-H]-_R1	ME248138	1.03	1.28	1.00	1.04	0.62	0.55
PC 32:1; [M-Ac-H]-_R2	ME248139	1.03	1.28	1.00	1.04	0.62	0.55
FFA(24:3)	ME248105	1.06	1.44	1.00	0.98	0.44	0.62
lysoPE 16:1; [M-H]-	ME248112	1.04	1.29	1.01	1.02	0.42	0.50
lysoPE 22:5; [M-H]-	ME248120	1.10	0.99	0.99	1.12	0.41	0.47
PI 38:6; [M-H]-	ME248236	1.23	0.90	0.97	1.03	0.58	0.39
plasmenyl-PE 40:6; [M-H]-	ME248258	1.25	1.04	0.92	1.14	0.68	0.62
PC 28:0; [M-Ac-H]-	ME248131	1.06	0.91	1.00	1.09	0.68	0.42
PC 37:3; [M-Ac-H]-	ME248163	1.14	1.04	0.94	1.17	0.79	0.48
PC 30:0; [M-Ac-H]-	ME248133	1.09	1.03	0.99	1.06	0.72	0.35
PC 39:4; [M-Ac-H]-	ME248173	1.09	1.12	0.98	1.06	0.81	0.39
FFA(24:0)	ME248102	0.96	1.01	1.04	0.96	0.84	0.65
FFA(22:1)	ME248099	1.04	1.02	0.99	1.08	0.72	0.65
plasmenyl-PE 38:3; [M-H]-	ME248251	1.03	1.00	0.99	1.11	0.82	0.76
PC 36:5; [M-Ac-H]-	ME248160	0.99	1.24	1.00	1.09	0.68	0.71
PC 35:2; [M-Ac-H]-	ME248152	1.08	1.22	1.00	0.90	0.73	0.73
PC 37:4; [M-Ac-H]-	ME248164	1.15	1.11	0.97	1.00	0.75	0.66
CL 78:3; [M-2H](2-)	ME248084	0.99	1.05	1.07	0.78	0.76	0.53
PE 37:4; [M-H]-	ME248202	1.13	1.06	1.01	0.93	0.50	0.55
PG 36:0; [M-H]-	ME248224	1.02	0.95	1.07	0.85	0.53	0.59
PE 34:1; [M-H]-	ME248188	1.10	1.34	0.92	1.24	0.95	0.34
PC 42:6; [M-Ac-H]-	ME248183	1.06	1.27	0.96	1.17	0.73	0.23
PE 40:6; [M-H]-_R1	ME248216	0.96	1.12	0.99	1.22	0.68	0.24
CL 74:1; [M-2H](2-)	ME248078	1.06	1.14	0.89	1.54	0.68	0.50
PE 36:1; [M-H]-	ME248194	0.99	1.19	0.92	1.47	0.66	0.51
CL 70:1; [M-2H](2-)	ME248074	1.07	1.38	0.92	1.33	0.60	0.36
CL 78:11; [M-2H](2-)	ME248083	1.24	1.36	0.88	1.33	0.55	0.35
PE 38:6; [M-H]-	ME248211	1.20	1.40	0.89	1.34	0.58	0.40
CL 70:3; [M-2H](2-)	ME248075	1.24	1.43	0.88	1.29	0.62	0.43
PE 34:2; [M-H]-_R2	ME248190	1.21	1.41	0.88	1.30	0.67	0.51
CL 82:15; [M-2H](2-)	ME248089	1.20	1.54	0.87	1.32	0.75	0.30
PE 40:8; [M-H]-	ME248219	1.34	1.53	0.82	1.41	0.59	0.24
CL 74:7; [M-2H](2-)	ME248081	1.18	1.20	0.93	1.23	0.50	0.39
PE 36:4; [M-H]-	ME248200	1.17	1.17	0.93	1.23	0.48	0.46
CL 82:13; [M-2H](2-)	ME248088	1.28	1.28	0.88	1.30	0.47	0.60
PE 40:7; [M-H]-	ME248218	1.29	1.38	0.87	1.30	0.47	0.56
plasmenyl-PE 34:1; [M-H]-	ME248241	1.11	1.17	0.99	1.04	0.50	0.66
PE 39:6; [M-H]-	ME248212	1.18	1.35	0.94	1.09	0.56	0.63
CL 78:7; [M-2H](2-)	ME248086	1.14	1.32	0.93	1.22	0.54	0.57
PE 38:4; [M-H]-_R2	ME248207	1.17	1.26	0.94	1.16	0.51	0.65
PE 38:4; [M-H]-_R3	ME248208	1.17	1.26	0.94	1.16	0.51	0.65
PA 39:2; [M-H]-	ME248130	1.26	1.21	0.89	1.18	0.92	0.74
PE 40:5; [M-H]-_R2	ME248215	1.07	1.36	0.93	1.19	0.89	0.71
CL 82:9; [M-2H](2-)	ME248090	1.12	1.37	0.90	1.31	0.64	0.72
PC 38:2; [M-Ac-H]-	ME248167	1.11	1.40	0.92	1.25	0.65	0.80
IS PS 34:0 ;[M-H]-	ME248110	1.20	1.32	0.91	1.19	0.72	0.66
PS 34:0; [M-H]-	ME248261	1.20	1.33	0.90	1.23	0.71	0.62
PE 36:3; [M-H]-_R2	ME248199	1.21	1.16	0.90	1.27	0.76	0.58
PE 38:5; [M-H]-_R2	ME248210	1.20	1.24	0.89	1.25	0.78	0.51
PC 42:9; [M-Ac-H]-	ME248184	0.91	0.71	1.03	1.09	0.94	1.02
PI 32:1; [M-H]-	ME248227	1.02	0.79	1.04	0.84	0.99	1.06
PI 34:1; [M-H]-	ME248228	1.06	0.82	1.01	0.95	0.99	0.99
PA 30:3; [M-H]-	ME248123	1.13	0.85	1.02	0.83	0.68	1.24
PI 38:5; [M-H]-	ME248235	1.22	0.90	0.97	0.90	0.79	1.29
PC 35:3; [M-Ac-H]-	ME248153	1.09	0.79	1.02	0.99	0.44	1.15
plasmenyl-PE 42:5; [M-H]-	ME248259	1.23	0.84	0.98	0.93	0.51	1.25
Arachidonic acid	ME248072	0.91	0.90	1.10	0.91	0.35	0.80
PG 38:4; [M-H]-	ME248226	0.76	1.00	1.11	0.97	0.43	0.78
lysoPE 22:4; [M-H]-	ME248119	1.09	0.90	1.01	0.95	0.49	0.83
PC 37:5; [M-Ac-H]-	ME248165	1.14	0.89	1.02	0.93	0.37	0.83
FFA(20:1)	ME248096	1.29	1.09	0.95	0.98	0.44	0.86
PE 38:3; [M-H]-_R2	ME248205	1.32	0.99	0.95	0.98	0.49	0.69
lysoPE 18:1; [M-H]-	ME248115	0.98	0.75	1.04	1.11	0.54	0.66
lysoPE 18:2; [M-H]-	ME248116	1.07	0.82	0.99	1.13	0.63	0.69
plasmenyl-PE 38:4; [M-H]-	ME248252	1.04	0.85	0.99	1.18	0.59	0.77
plasmenyl-PE 36:1; [M-H]-	ME248244	1.12	0.94	0.99	1.08	0.59	0.66
plasmenyl-PE 40:4; [M-H]-	ME248256	1.02	0.86	1.03	1.02	0.60	0.68
lysoPE 17:0; [M-H]-	ME248113	0.91	0.98	1.01	1.28	0.45	0.81
plasmenyl-PE 42:6; [M-H]-	ME248260	1.14	1.03	0.95	1.26	0.39	0.80
lysoPE 20:4; [M-H]-	ME248118	1.01	0.93	1.02	1.13	0.37	0.80
lysoPE 22:6; [M-H]-	ME248121	1.10	0.95	0.99	1.15	0.35	0.69
PE 34:2; [M-H]-_R1	ME248189	1.23	0.68	1.03	0.76	0.61	0.70
PC 40:2; [M-Ac-H]-	ME248175	1.25	0.61	0.96	1.13	0.61	0.53
PC 35:1; [M-Ac-H]-	ME248151	1.06	0.71	1.05	0.95	0.50	0.49
plasmenyl-PE 38:2; [M-H]-	ME248250	1.09	0.75	1.06	0.84	0.48	0.61
lysoPE 16:0; [M-H]-	ME248111	0.92	0.76	1.07	1.05	0.52	0.46
lysoPE 18:0; [M-H]-	ME248114	0.93	0.63	1.06	1.13	0.44	0.49
PA 33:2; [M-H]-	ME248124	1.26	1.27	0.87	1.28	0.54	1.31
PC 37:2; [M-Ac-H]-	ME248162	1.18	1.08	0.96	0.96	0.87	1.11
PI 34:2; [M-H]-	ME248229	1.14	1.12	0.96	0.99	0.90	1.05
PE 32:0; [M-H]-	ME248185	0.80	1.13	1.07	0.98	0.63	1.16
PA 20:2; [M-H]-	ME248122	1.11	1.13	0.96	1.07	0.64	1.33
IS PE 34:0 ;[M-H]-	ME248107	1.03	1.14	0.98	1.07	0.68	1.41
PE 34:0; [M-H]-	ME248187	1.03	1.15	0.98	1.07	0.67	1.40
FFA(22:0)	ME248098	1.03	1.19	0.98	1.05	0.72	1.21
PC 38:7; [M-Ac-H]-	ME248172	1.12	1.14	0.94	1.14	0.71	1.23
plasmenyl-PE 34:0; [M-H]-	ME248240	1.11	1.04	0.98	1.11	0.46	0.73
PC 40:7; [M-Ac-H]-	ME248179	1.12	1.06	0.97	1.10	0.55	0.85
PC 33:1; [M-Ac-H]-	ME248143	1.06	1.03	1.01	1.04	0.52	0.84
PC 34:1; [M-Ac-H]-	ME248146	1.09	1.02	0.99	1.08	0.51	0.81
PC 38:5; [M-Ac-H]-	ME248170	1.08	1.01	0.98	1.10	0.57	0.97
FFA(24:1)	ME248103	1.01	0.91	1.01	1.09	0.54	0.94
plasmenyl-PE 38:5; [M-H]-	ME248253	1.05	0.95	0.99	1.15	0.56	0.85
lysoPE 20:3; [M-H]-	ME248117	1.12	0.88	0.96	1.16	0.64	1.05
PE 36:2; [M-H]-_R2	ME248196	1.09	1.07	0.94	1.22	0.79	1.02
PC 36:1; [M-Ac-H]-	ME248156	1.09	1.04	0.95	1.20	0.68	0.88
plasmenyl-PE 36:3; [M-H]-	ME248246	1.10	1.01	0.95	1.20	0.67	0.91
plasmenyl-PE 36:2; [M-H]-	ME248245	1.14	0.98	0.95	1.15	0.67	0.88
plasmenyl-PE 40:5; [M-H]-	ME248257	1.12	0.95	0.95	1.17	0.69	0.94
PI 36:2; [M-H]-	ME248230	1.11	1.19	0.99	0.91	0.76	1.13
PI 36:4; [M-H]-	ME248231	1.13	1.23	0.96	1.01	0.68	1.14
PC 33:2; [M-Ac-H]-	ME248144	1.04	1.03	1.02	0.96	0.64	0.94
PC 34:2; [M-Ac-H]-	ME248147	1.09	1.19	0.98	1.04	0.63	1.01
PC 36:2; [M-Ac-H]-	ME248157	1.12	1.15	0.96	1.08	0.64	1.02
FFA(18:0)	ME248092	1.04	1.07	0.99	1.06	0.72	1.02
FFA(20:0)	ME248095	1.03	1.09	1.00	1.05	0.64	1.13
FFA(16:0)	ME248091	1.07	1.12	0.98	1.04	0.63	1.07
PC 36:3; [M-Ac-H]-	ME248158	1.07	1.09	0.99	1.04	0.64	1.10
PC 36:4; [M-Ac-H]-	ME248159	1.03	1.16	1.00	1.06	0.56	0.86
PC 32:0; [M-Ac-H]-_R1	ME248136	1.02	1.19	1.01	1.03	0.56	0.92
PC 32:0; [M-Ac-H]-_R2	ME248137	1.02	1.19	1.01	1.03	0.56	0.92
FFA(24:2)	ME248104	1.07	1.25	0.97	1.10	0.50	0.99
FFA(22:3)	ME248101	1.05	1.14	0.99	1.09	0.52	0.94
PC 36:6; [M-Ac-H]-	ME248161	1.09	1.19	0.97	1.12	0.57	0.96
PC 34:3; [M-Ac-H]-	ME248148	1.11	1.30	0.95	1.12	0.54	0.88
PC 38:3; [M-Ac-H]-	ME248168	1.09	1.27	0.97	1.05	0.65	0.90
PC 40:4; [M-Ac-H]-	ME248176	1.07	1.24	0.97	1.11	0.66	0.86
PI 40:6; [M-H]-	ME248238	1.06	1.21	0.95	1.23	0.59	0.75
plasmenyl-PE 36:4; [M-H]-	ME248247	0.99	1.10	0.99	1.17	0.59	0.80
PC 38:6; [M-Ac-H]-	ME248171	0.98	1.14	0.98	1.22	0.56	0.89
PC 40:6; [M-Ac-H]-	ME248178	1.02	1.14	0.97	1.22	0.50	0.93
FFA(18:1)	ME248093	1.23	1.13	0.95	1.01	0.52	1.03
FFA(18:2)	ME248094	1.23	1.26	0.94	1.02	0.49	1.09
plasmenyl-PE 38:6; [M-H]-	ME248254	1.03	1.19	0.97	1.19	0.54	1.08
PC 40:5; [M-Ac-H]-	ME248177	1.07	1.13	0.98	1.15	0.45	1.02
FFA(22:2)	ME248100	1.14	1.08	0.97	1.09	0.48	1.03
PC 38:4; [M-Ac-H]-	ME248169	1.14	1.10	0.98	1.05	0.45	0.98
FFA(20:2)	ME248097	1.23	1.41	0.95	0.98	0.46	0.93
PC 32:2; [M-Ac-H]-	ME248140	1.15	1.31	0.98	0.96	0.56	0.80
PC 34:4; [M-Ac-H]-	ME248149	1.13	1.38	0.96	1.07	0.46	0.80
PA 34:0; [M-H]-_R1	ME248125	1.03	1.38	0.99	1.03	0.45	1.09
PA 34:0; [M-H]-_R2	ME248126	0.95	1.26	1.03	1.04	0.42	1.00
PC 37:6; [M-Ac-H]-	ME248166	0.97	1.48	1.00	1.01	0.61	1.04
PC 42:10; [M-Ac-H]-	ME248182	0.91	1.44	1.01	1.05	0.59	1.22

Factors:

F1	Gender:Female \| Metabolic syndrome:No \| Smoker:No
F2	Gender:Female \| Metabolic syndrome:Yes \| Smoker:No
F3	Gender:Male \| Metabolic syndrome:No \| Smoker:No
F4	Gender:Male \| Metabolic syndrome:No \| Smoker:Yes
F5	Gender:Male \| Metabolic syndrome:Yes \| Smoker:No
F6	Gender:Male \| Metabolic syndrome:Yes \| Smoker:Yes

Data matrix