Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolic Syndrome Plasma Lipidomics (Study ST000663)

C18 NEGATIVE ION MODE (Analysis AN001012)

Metabolite	Structure	F1	F2	F3	F4
PS 38:4; [M-H]-@6.08	ME178730	1.11	1.75	0.59	0.56
PC 31:0; [M-Ac-H]-@6.26	ME178632	1.12	0.98	0.74	1.16
PC 29:0; [M-Ac-H]-@5.57	ME178628	1.52	0.76	0.97	0.74
PC 28:0; [M-Ac-H]-@5.23	ME178627	1.33	0.71	1.24	0.71
PI 38:6; [M-H]-@5.24	ME178726	1.37	0.73	1.14	0.75
plasmenyl-PE 42:6; [M-H]-@7.77	ME178765	1.31	0.77	1.12	0.80
PE 40:6; [M-H]-@6.92	ME178711	0.93	0.67	1.35	1.06
PC 35:5; [M-Ac-H]-@5.49	ME178652	0.76	0.85	1.57	0.82
CL 82:13; [M-2H](2-)@6.39	ME178603	0.96	0.67	1.51	0.85
CerP 32:1; [M-H]-@5.15	ME178605	0.93	0.84	1.43	0.80
FFA(24:3)	ME178621	0.98	0.77	1.53	0.72
lysoPE 22:4; [M-H]-@1.92	ME178738	0.82	1.15	1.34	0.68
PA 38:6; [M-H]-@6.11	ME178626	0.93	1.12	0.92	1.03
PI 38:3; [M-H]-@6.20	ME178723	0.98	1.15	0.86	1.00
plasmenyl-PE 34:2; [M-H]-@6.75	ME178744	0.91	1.20	0.98	0.90
plasmenyl-PE 38:4; [M-H]-@7.24	ME178754	0.87	1.19	0.97	0.96
plasmenyl-PE 38:4; [M-H]-@7.37	ME178755	0.87	1.19	0.97	0.96
PG 36:2; [M-H]-@6.15	ME178715	0.81	1.29	0.93	0.98
plasmenyl-PE 34:3; [M-H]-@6.34	ME178745	0.89	1.29	0.88	0.94
PE 36:1; [M-H]-@6.69	ME178696	0.90	1.07	1.22	0.81
PE 36:1; [M-H]-@7.44	ME178695	0.92	1.08	1.25	0.74
PC 32:1; [M-Ac-H]-@6.08	ME178635	1.00	1.07	1.09	0.84
PE 34:3; [M-H]-@6.07	ME178690	1.00	1.09	1.11	0.80
PC 40:4; [M-Ac-H]-@7.30	ME178675	0.95	1.03	1.13	0.88
plasmenyl-PE 40:3; [M-H]-@8.07	ME178758	0.95	1.04	1.10	0.92
PE 38:2; [M-H]-@7.58	ME178704	1.03	1.21	1.13	0.62
PE 36:3; [M-H]-@5.24	ME178698	1.03	1.18	1.03	0.76
PC 31:1; [M-Ac-H]-@5.76	ME178633	0.98	1.18	1.05	0.79
PE 36:2; [M-H]-@5.72	ME178697	1.00	1.14	1.07	0.78
PC 34:5; [M-Ac-H]-@5.14	ME178647	0.88	1.23	1.14	0.75
PE 40:4; [M-H]-@7.44	ME178709	0.92	1.22	1.08	0.78
plasmenyl-PE 40:4; [M-H]-@7.77	ME178759	0.92	1.32	0.96	0.81
PS 38:5; [M-H]-@5.64	ME178731	0.99	1.42	0.83	0.76
PS 36:1; [M-H]-@6.48	ME178729	1.12	1.29	0.98	0.61
PE 35:4; [M-H]-@6.08	ME178693	1.14	1.14	0.91	0.80
PC 33:0; [M-Ac-H]-@6.79	ME178638	1.06	1.22	0.93	0.79
PE 35:1; [M-H]-@7.13	ME178691	1.09	1.17	0.95	0.79
FFA(20:1)	ME178612	0.79	1.03	1.18	1.00
FFA(22:3)	ME178617	0.74	1.05	1.22	0.99
FFA(18:1)	ME178609	0.77	1.02	1.14	1.07
FFA(18:2)	ME178610	0.77	0.99	1.14	1.09
plasmenyl-PE 34:1; [M-H]-@7.19	ME178743	0.76	0.99	1.14	1.11
Arachidonic acid	ME178593	0.75	0.97	1.21	1.07
FFA(20:2)	ME178613	0.71	0.99	1.21	1.09
lysoPE 22:5; [M-H]-@1.56	ME178739	0.86	1.06	1.10	0.98
PG 38:4; [M-H]-@6.14	ME178717	0.83	1.10	1.11	0.96
PE 40:5; [M-H]-@7.11	ME178710	0.85	0.93	1.11	1.10
lysoPE 20:4; [M-H]-@1.38	ME178737	0.87	0.97	1.12	1.03
PE 38:1; [M-H]-@7.88	ME178703	0.84	1.02	1.12	1.03
PE 38:3; [M-H]-@7.25	ME178705	0.88	1.04	1.04	1.03
plasmenyl-PE 36:1; [M-H]-@7.73	ME178746	0.93	1.04	1.02	1.01
CL 78:5; [M-2H](2-)@7.25	ME178600	0.92	1.01	1.06	1.00
PE 38:4; [M-H]-@6.97	ME178706	0.93	1.02	1.07	0.98
FFA(16:0)	ME178607	0.94	0.94	1.11	1.02
PE 36:0; [M-H]-@7.84	ME178694	0.94	0.96	1.03	1.07
plasmenyl-PE 32:1; [M-H]-@6.62	ME178741	0.65	1.05	1.32	0.98
plasmenyl-PE 36:4; [M-H]-@6.67	ME178749	0.75	1.09	1.28	0.88
PC 30:2; [M-Ac-H]-@4.91	ME178631	0.73	1.02	1.34	0.90
PC 39:5; [M-Ac-H]-@6.62	ME178672	0.76	1.00	1.32	0.92
PC 40:6; [M-Ac-H]-@6.72	ME178677	0.81	0.94	1.37	0.89
PE 37:4; [M-H]-@6.70	ME178702	0.87	0.97	1.34	0.82
PI 40:5; [M-H]-@6.08	ME178727	0.91	0.99	1.32	0.78
PC 35:4; [M-Ac-H]-@5.93	ME178651	0.88	0.96	1.25	0.91
plasmenyl-PE 38:5; [M-H]-@6.78	ME178756	0.92	0.96	1.23	0.89
PA 34:0; [M-H]-@7.49	ME178624	0.90	0.94	1.20	0.96
PC 40:5; [M-Ac-H]-@7.04	ME178676	0.91	0.93	1.20	0.96
PC 34:4; [M-Ac-H]-@5.55	ME178646	0.93	0.96	1.18	0.92
PC 38:3; [M-Ac-H]-@7.06	ME178665	0.91	0.99	1.15	0.95
PC 37:5; [M-Ac-H]-@6.03	ME178662	0.83	0.89	1.25	1.03
PC 38:4; [M-Ac-H]-@6.75	ME178666	0.83	0.89	1.25	1.02
CL 82:9; [M-2H](2-)@7.10	ME178604	0.86	0.87	1.28	0.99
PC 37:4; [M-Ac-H]-@6.52	ME178661	0.84	0.91	1.27	0.98
PC 36:4; [M-Ac-H]-@6.08	ME178656	0.86	0.91	1.25	0.98
PC 38:5; [M-Ac-H]-@6.33	ME178668	0.86	0.92	1.25	0.98
PC 38:5; [M-Ac-H]-@6.55	ME178667	0.86	0.92	1.25	0.98
FFA(22:2)	ME178616	0.83	0.98	1.27	0.92
PC 42:10; [M-Ac-H]-@5.73	ME178680	0.81	0.98	1.24	0.97
PE 40:7; [M-H]-@6.41	ME178712	1.00	0.77	1.34	0.89
PC 37:3; [M-Ac-H]-@6.73	ME178660	0.92	0.89	1.28	0.91
PE 36:5; [M-H]-@6.04	ME178701	0.93	0.89	1.27	0.91
FFA(24:2)	ME178620	0.94	0.84	1.33	0.89
PC 36:5; [M-Ac-H]-@5.66	ME178657	0.89	0.86	1.33	0.91
plasmenyl-PE 38:6; [M-H]-@6.57	ME178757	0.90	0.85	1.34	0.91
lysoPE 22:6; [M-H]-@1.33	ME178740	0.88	0.80	1.28	1.04
PA 34:0; [M-H]-@5.19	ME178623	0.83	0.81	1.40	0.96
CL 74:1; [M-2H](2-)@7.42	ME178596	0.98	1.00	1.36	0.66
PC 30:1; [M-Ac-H]-@5.40	ME178630	1.05	1.00	1.30	0.64
CL 74:7; [M-2H](2-)@6.10	ME178599	1.04	0.87	1.31	0.79
PC 40:8; [M-Ac-H]-@5.79	ME178679	1.05	0.88	1.25	0.82
CL 78:9; [M-2H](2-)@6.53	ME178602	1.01	0.91	1.25	0.82
PC 39:6; [M-Ac-H]-@6.40	ME178673	1.01	0.88	1.25	0.85
CL 78:7; [M-2H](2-)@6.72	ME178601	0.94	0.98	1.26	0.82
PC 39:4; [M-Ac-H]-@7.09	ME178671	0.99	0.93	1.29	0.78
PE 38:5; [M-H]-@6.55	ME178707	0.97	0.91	1.28	0.83
plasmenyl-PE 36:5; [M-H]-@6.35	ME178750	0.96	0.92	1.31	0.81
CL 70:5; [M-2H](2-)@6.08	ME178595	1.04	1.00	1.21	0.75
PE 36:4; [M-H]-@6.26	ME178700	1.03	0.95	1.20	0.82
PG 36:3; [M-H]-@5.43	ME178716	1.02	0.96	1.21	0.81
PC 32:0; [M-Ac-H]-@6.58	ME178634	1.07	0.89	1.17	0.87
PC 34:1; [M-Ac-H]-@6.62	ME178643	1.07	0.92	1.20	0.81
PC 34:1; [M-Ac-H]-@6.69	ME178642	1.07	0.92	1.20	0.81
PC 32:2; [M-Ac-H]-@5.59	ME178636	1.07	0.91	1.18	0.84
PE 34:2; [M-H]-@6.43	ME178688	1.08	0.89	1.19	0.83
PC 30:0; [M-Ac-H]-@5.96	ME178629	1.27	0.81	1.24	0.68
PC 32:3; [M-Ac-H]-@5.15	ME178637	1.19	0.85	1.29	0.67
CL 74:5; [M-2H](2-)@6.61	ME178598	1.15	0.81	1.29	0.75
PE 36:3; [M-H]-@6.56	ME178699	1.11	0.87	1.26	0.76
lysoPE 18:1; [M-H]-@1.87	ME178734	1.14	0.88	1.17	0.81
PE 34:1; [M-H]-@6.86	ME178687	1.16	0.89	1.19	0.76
CL 70:1; [M-2H](2-)@6.86	ME178594	1.21	0.81	1.19	0.80
FFA(22:1)	ME178615	1.25	0.84	1.14	0.77
plasmenyl-PE 42:4; [M-H]-@8.19	ME178763	1.09	1.02	1.14	0.74
PE 32:1; [M-H]-@6.27	ME178684	1.15	1.01	1.12	0.72
PI 36:1; [M-H]-@6.40	ME178720	1.18	0.96	1.13	0.72
PC 44:4; [M-Ac-H]-@8.45	ME178683	1.32	0.90	1.01	0.77
plasmenyl-PE 38:1; [M-H]-@8.22	ME178751	1.24	0.93	1.07	0.76
PI 34:1; [M-H]-@5.77	ME178718	1.22	1.03	1.01	0.74
PI 36:2; [M-H]-@6.01	ME178721	1.23	1.04	1.01	0.72
PC 42:4; [M-Ac-H]-@7.97	ME178682	1.20	1.05	0.94	0.81
PG 34:2; [M-H]-@5.57	ME178714	1.16	1.03	0.98	0.82
lysoPE 16:0; [M-H]-@1.70	ME178732	1.30	0.76	1.03	0.91
PC 37:2; [M-Ac-H]-@7.17	ME178659	1.28	0.83	0.99	0.90
FFA(24:0)	ME178618	1.24	0.89	1.01	0.86
lysoPE 18:2; [M-H]-@1.40	ME178735	1.18	0.89	1.05	0.88
PC 42:2; [M-Ac-H]-@8.50	ME178681	1.25	0.94	0.90	0.91
PE 35:2; [M-H]-@6.72	ME178692	1.17	0.95	0.94	0.95
PI 38:5; [M-H]-@5.48	ME178725	1.18	0.93	0.95	0.94
PC 35:1; [M-Ac-H]-@6.99	ME178648	1.17	0.96	0.97	0.89
PI 34:2; [M-H]-@5.37	ME178719	1.14	1.01	0.97	0.88
plasmenyl-PE 38:2; [M-H]-@7.88	ME178752	1.07	1.05	0.94	0.93
PC 35:3; [M-Ac-H]-@6.11	ME178650	1.08	0.97	0.93	1.01
PE 33:2; [M-H]-@6.10	ME178685	0.98	1.01	0.99	1.03
PS 34:0; [M-H]-@6.36	ME178728	1.02	0.98	1.00	1.00
PG 34:0; [M-H]-@6.40	ME178713	1.00	1.00	1.00	1.00
PI 37:4; [M-H]-@5.66	ME178722	1.00	1.00	1.00	1.00
PC 34:0; [M-Ac-H]-@7.16	ME178641	1.01	0.99	1.00	1.00
PE 34:0; [M-H]-@7.27	ME178686	1.01	1.00	1.00	1.00
PE 34:2; [M-H]-@5.10	ME178689	1.06	0.99	0.99	0.97
plasmenyl-PE 36:2; [M-H]-@7.35	ME178747	1.07	0.98	0.98	0.96
lysoPE 20:3; [M-H]-@1.66	ME178736	1.03	0.96	1.02	0.99
plasmenyl-PE 38:3; [M-H]-@7.48	ME178753	1.04	0.99	1.02	0.96
PC 34:3; [M-Ac-H]-@5.76	ME178645	1.00	0.93	1.17	0.90
FFA(18:0)	ME178608	1.00	0.93	1.10	0.97
PI 38:4; [M-H]-@5.99	ME178724	1.01	0.92	1.12	0.95
MGDG 22:1; [M-H]-@1.48	ME178622	1.00	0.94	1.13	0.94
PC 36:3; [M-Ac-H]-@6.40	ME178655	1.00	0.94	1.13	0.93
PC 33:1; [M-Ac-H]-@6.42	ME178639	0.98	0.98	1.12	0.92
plasmenyl-PE 34:0; [M-H]-@7.24	ME178742	1.02	0.96	1.11	0.90
plasmenyl-PE 42:5; [M-H]-@7.88	ME178764	1.01	1.00	1.11	0.88
plasmenyl-PE 40:5; [M-H]-@7.34	ME178761	1.00	1.00	1.07	0.93
plasmenyl-PE 40:5; [M-H]-@7.45	ME178760	1.00	1.00	1.07	0.93
PC 33:2; [M-Ac-H]-@5.96	ME178640	1.03	0.96	1.07	0.94
plasmenyl-PE 36:3; [M-H]-@6.90	ME178748	1.02	0.95	1.06	0.97
FFA(22:0)	ME178614	1.13	0.88	1.03	0.96
FFA(20:0)	ME178611	1.08	0.92	1.05	0.95
PC 38:2; [M-Ac-H]-@7.43	ME178664	1.10	0.94	1.03	0.94
PC 36:2; [M-Ac-H]-@6.82	ME178654	1.11	0.90	1.09	0.89
lysoPE 18:0; [M-H]-@2.45	ME178733	1.07	0.92	1.11	0.90
PC 35:2; [M-Ac-H]-@6.54	ME178649	1.06	0.95	1.11	0.88
PC 36:1; [M-Ac-H]-@7.26	ME178653	1.07	0.94	1.11	0.89
PC 40:3; [M-Ac-H]-@7.61	ME178674	1.11	0.94	1.13	0.82
CL 74:3; [M-2H](2-)@6.97	ME178597	1.13	0.97	1.06	0.85
PC 34:2; [M-Ac-H]-@6.21	ME178644	1.10	0.95	1.09	0.86
PA 34:0; [M-H]-@6.91	ME178625	1.20	0.71	1.16	0.92
PC 40:7; [M-Ac-H]-@6.25	ME178678	0.97	0.79	1.24	0.99
FFA(24:1)	ME178619	1.07	0.81	1.22	0.89
PC 38:7; [M-Ac-H]-@5.54	ME178670	1.06	0.83	1.22	0.89
PE 38:6; [M-H]-@6.18	ME178708	1.04	0.80	1.17	0.98
PC 36:6; [M-Ac-H]-@5.45	ME178658	1.05	0.80	1.20	0.95
PC 38:6; [M-Ac-H]-@6.01	ME178669	1.02	0.80	1.22	0.95
CerP 34:1; [M-H]-@5.86	ME178606	1.10	0.73	1.13	1.04
PC 37:6; [M-Ac-H]-@5.82	ME178663	1.09	0.82	1.03	1.06
plasmenyl-PE 40:6; [M-H]-@7.21	ME178762	1.04	0.85	1.11	1.01

Factors:

F1	control:Control \| visit:Control
F2	control:Metabolic syndrom \| visit:MS Visit 1
F3	control:Metabolic syndrom \| visit:MS Visit 3
F4	control:Metabolic syndrom \| visit:MS Visit 4

Data matrix