Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Biomarkers for different types of Multiple Scelerosis (MS) (BMS vs SPMS lipidomics) (Study ST000688)

C18 NEGATIVE ION MODE (Analysis AN001061)

Metabolite	Structure	F1	F2
PS 38:4; [M-H]-@6.05	ME191896	0.28	1.47
PS 40:6; [M-H]-@5.88	ME191897	0.56	1.28
FFA(20:0)	ME191780	0.65	1.23
plasmenyl-PE 42:4; [M-H]-@8.25	ME191925	0.66	1.22
FFA(22:3)	ME191787	0.83	1.11
plasmenyl-PE 40:3; [M-H]-@8.07	ME191922	0.85	1.10
PE 32:0; [M-H]-@6.78	ME191843	0.85	1.10
PC 42:10; [M-Ac-H]-@5.83	ME191841	0.85	1.10
lysoPE 22:5; [M-H]-@1.56	ME191905	0.85	1.10
FFA(24:1)	ME191789	0.85	1.10
lysoPE 20:2; [M-H]-@2.09	ME191902	0.85	1.10
N-(octadecanoyl)-sphinganine; [M-H]-@7.64	ME191797	0.84	1.10
plasmenyl-PE 40:5; [M-H]-@7.59	ME191923	0.84	1.10
FFA(16:0)	ME191776	0.87	1.09
plasmenyl-PE 32:1; [M-H]-@6.61	ME191908	0.87	1.08
plasmenyl-PE 40:6; [M-H]-@7.23	ME191924	0.87	1.08
FFA(18:0)	ME191777	0.90	1.07
PC 40:4; [M-Ac-H]-@7.47	ME191838	0.90	1.07
PI 40:5; [M-H]-@5.99	ME191894	0.89	1.07
plasmenyl-PE 42:6; [M-H]-@7.79	ME191927	0.89	1.07
PE 40:8; [M-H]-@5.97	ME191871	0.78	1.15
PE 40:4; [M-H]-@7.46	ME191868	0.81	1.12
plasmenyl-PE 42:5; [M-H]-@7.91	ME191926	0.79	1.14
FFA(24:3)	ME191791	0.79	1.13
lysoPE 22:6; [M-H]-@1.32	ME191906	0.80	1.13
FFA(20:2)	ME191782	0.71	1.19
FFA(20:4) Arachidonic acid	ME191783	0.71	1.19
FFA(18:1)	ME191778	0.75	1.16
plasmenyl-PE 38:4; [M-H]-@7.26	ME191920	0.75	1.17
FFA(20:1)	ME191781	0.73	1.17
FFA(24:2)	ME191790	0.74	1.17
FFA(18:2)	ME191779	0.74	1.17
FFA(22:0)	ME191784	0.74	1.17
PG 34:1; [M-H]-@5.83	ME191873	1.13	0.92
PE 33:0; [M-H]-@7.05	ME191845	1.13	0.92
PC 37:2; [M-Ac-H]-@7.34	ME191828	1.13	0.92
PA 34:3; [M-H]-@5.77	ME191801	1.13	0.92
PC 35:2; [M-Ac-H]-@6.66	ME191821	1.13	0.92
PG 34:2; [M-H]-@5.45	ME191874	1.12	0.92
PG 33:0; [M-H]-@6.07	ME191872	1.12	0.92
PE 38:7; [M-H]-@5.75	ME191866	1.12	0.92
PC 36:5; [M-Ac-H]-@5.83	ME191826	1.12	0.92
PC 34:2; [M-Ac-H]-@6.30	ME191818	1.12	0.92
PC 36:2; [M-Ac-H]-@6.98	ME191824	1.12	0.92
PI 38:3; [M-H]-@6.07	ME191889	1.14	0.91
PE 36:5; [M-H]-@5.96	ME191859	1.14	0.91
PE 34:2; [M-H]-@6.46	ME191848	1.14	0.91
N-(docosanoyl)-sphing-4-enine; [M-H]-@8.43	ME191793	1.14	0.91
PA 36:3; [M-H]-@6.43	ME191803	1.14	0.91
CL 76:5; [M-2H](2-)@6.98	ME191767	1.16	0.90
PE 35:2; [M-H]-@6.73	ME191853	1.16	0.90
PE 36:3; [M-H]-@6.58	ME191858	1.15	0.90
PE 38:2; [M-H]-@6.94	ME191862	1.15	0.90
PE 35:4; [M-H]-@6.09	ME191854	1.07	0.95
CerP 32:1; [M-H]-@5.19	ME191769	1.07	0.95
lysoPE 17:0; [M-H]-@2.08	ME191899	1.07	0.95
PI 36:2; [M-H]-@5.88	ME191886	1.08	0.95
PI 35:1; [M-H]-@5.94	ME191883	1.08	0.95
PE 37:4; [M-H]-@6.66	ME191860	1.08	0.95
PE 35:1; [M-H]-@6.55	ME191852	1.08	0.95
PC 36:6; [M-Ac-H]-@5.54	ME191827	1.08	0.95
PC 33:2; [M-Ac-H]-@6.08	ME191816	1.08	0.95
PC 34:3; [M-Ac-H]-@5.95	ME191819	1.08	0.95
plasmenyl-PE 38:2; [M-H]-@7.94	ME191918	1.11	0.93
PC 36:3; [M-Ac-H]-@6.52	ME191825	1.11	0.93
PE 38:3; [M-H]-@7.26	ME191863	1.11	0.93
PI 34:2; [M-H]-@5.22	ME191882	1.09	0.94
PC 40:3; [M-Ac-H]-@7.82	ME191837	1.09	0.94
CL 66:1; [M-2H](2-)@6.26	ME191765	1.09	0.94
PA 34:2; [M-H]-@6.28	ME191800	1.09	0.94
PI 36:3; [M-H]-@5.38	ME191887	1.10	0.93
PE 34:4; [M-H]-@5.75	ME191850	1.10	0.93
CerP 34:0; [M-H]-@6.17	ME191770	1.10	0.93
PC 31:0; [M-Ac-H]-@6.31	ME191811	1.10	0.93
plasmenyl-PE 36:5; [M-H]-@6.30	ME191916	1.10	0.94
plasmenyl-PE 36:2; [M-H]-@7.35	ME191914	1.10	0.94
PC 38:2; [M-Ac-H]-@7.63	ME191831	1.10	0.94
PC 30:0; [M-Ac-H]-@6.04	ME191810	1.10	0.94
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.88	ME191798	1.10	0.94
CerP 34:2; [M-H]-@5.40	ME191772	1.10	0.94
CerP 38:1; [M-H]-@7.29	ME191773	1.10	0.94
PC 38:6; [M-Ac-H]-@6.14	ME191834	0.96	1.03
FFA(22:1)	ME191785	0.96	1.03
PA 38:5; [M-H]-@6.05	ME191806	0.96	1.03
PI 38:4; [M-H]-@5.84	ME191890	0.95	1.03
PG 38:4; [M-H]-@6.05	ME191880	0.95	1.03
lysoPE 16:0; [M-H]-@1.66	ME191898	0.95	1.03
PE 34:1; [M-H]-@6.90	ME191847	0.95	1.03
plasmenyl-PE 40:2; [M-H]-@8.31	ME191921	0.97	1.02
PI 40:6; [M-H]-@5.80	ME191895	0.96	1.02
PC 37:6; [M-Ac-H]-@5.86	ME191830	0.96	1.02
PI 36:4; [M-H]-@5.22	ME191888	0.96	1.02
lysoPE 22:4; [M-H]-@1.90	ME191904	0.93	1.04
PC 35:1; [M-Ac-H]-@7.13	ME191820	0.94	1.04
plasmenyl-PE 36:0; [M-H]-@7.27	ME191912	0.94	1.04
lysoPE 18:1; [M-H]-@1.80	ME191900	0.91	1.06
plasmenyl-PE 38:3; [M-H]-@7.56	ME191919	0.91	1.06
FFA(22:2)	ME191786	0.93	1.05
lysoPE 20:1; [M-H]-@2.67	ME191901	0.92	1.05
PC 40:5; [M-Ac-H]-@7.11	ME191839	0.92	1.05
plasmenyl-PE 36:3; [M-H]-@6.93	ME191915	1.04	0.98
CerP 42:1; [M-H]-@8.41	ME191775	1.04	0.98
PA 36:4; [M-H]-@6.20	ME191804	1.04	0.98
plasmenyl-PE 34:3; [M-H]-@6.41	ME191911	1.03	0.98
PC 38:7; [M-Ac-H]-@5.60	ME191835	1.03	0.98
PA 40:7; [M-H]-@6.23	ME191808	1.03	0.98
PC 33:1; [M-Ac-H]-@6.56	ME191815	1.03	0.98
plasmenyl-PE 36:1; [M-H]-@7.78	ME191913	1.06	0.96
PG 36:3; [M-H]-@5.31	ME191879	1.06	0.96
PG 36:1; [M-H]-@6.44	ME191877	1.06	0.96
PE 34:3; [M-H]-@6.00	ME191849	1.06	0.96
PE 32:1; [M-H]-@6.27	ME191844	1.06	0.96
CL 78:5; [M-2H](2-)@6.51	ME191768	1.06	0.96
PC 38:3; [M-Ac-H]-@7.25	ME191832	1.06	0.96
plasmenyl-PE 38:1; [M-H]-@8.29	ME191917	1.05	0.97
PI 35:2; [M-H]-@5.58	ME191884	1.05	0.97
PG 36:0; [M-H]-@6.89	ME191876	1.05	0.97
PG 35:0; [M-H]-@6.62	ME191875	1.05	0.97
PE 35:0; [M-H]-@7.63	ME191851	1.05	0.97
lysoPE 20:3; [M-H]-@1.66	ME191903	1.05	0.97
PC 37:4; [M-Ac-H]-@6.62	ME191829	1.05	0.97
PE 40:6; [M-H]-@6.95	ME191869	1.04	0.97
plasmenyl-PE 34:0; [M-H]-@7.24	ME191909	1.04	0.97
PE 38:4; [M-H]-@7.03	ME191864	0.98	1.02
PI 34:1; [M-H]-@5.68	ME191881	0.98	1.01
PE 40:7; [M-H]-@6.43	ME191870	0.98	1.01
PE 38:1; [M-H]-@7.49	ME191861	0.98	1.01
PC 40:6; [M-Ac-H]-@6.77	ME191840	0.98	1.01
PC 38:5; [M-Ac-H]-@6.50	ME191833	0.98	1.01
PC 34:1; [M-Ac-H]-@6.81	ME191817	0.98	1.01
CerP 41:1; [M-H]-@8.14	ME191774	0.98	1.01
PA 34:1; [M-H]-@6.82	ME191799	0.98	1.01
PC 35:4; [M-Ac-H]-@6.08	ME191822	0.99	1.01
PI 38:5; [M-H]-@5.37	ME191891	0.99	1.01
PE 36:1; [M-H]-@7.48	ME191856	1.01	0.99
PC 39:6; [M-Ac-H]-@6.54	ME191836	1.01	0.99
PC 32:1; [M-Ac-H]-@6.12	ME191813	1.01	0.99
PC 36:1; [M-Ac-H]-@7.48	ME191823	1.01	0.99
N-(eicosanoyl)-sphing-4-enine; [M-H]-@7.95	ME191794	1.02	0.99
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.87	ME191795	1.02	0.98
PI 36:1; [M-H]-@6.31	ME191885	0.99	1.00
PI 40:4; [M-H]-@6.34	ME191893	1.00	1.00
PE 38:5; [M-H]-@6.54	ME191865	1.00	1.00
PE 36:0; [M-H]-@7.90	ME191855	1.00	1.00
PC 32:0; [M-Ac-H]-@6.75	ME191812	1.00	1.00
N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.46	ME191796	1.00	1.00
CerP 34:1; [M-H]-@5.94	ME191771	1.00	1.00
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.45	ME191792	1.00	1.00
PI 38:6; [M-H]-@5.13	ME191892	1.01	1.00
PA 38:6; [M-H]-@6.21	ME191807	1.01	1.00
PA 36:1; [M-H]-@7.51	ME191802	1.01	1.00
PA 36:5; [M-H]-@5.97	ME191805	1.01	1.00
PC 26:0; [M-Ac-H]-@4.57	ME191809	1.37	0.76
PE 33:2; [M-H]-@6.11	ME191846	1.29	0.81
PC 32:2; [M-Ac-H]-@5.73	ME191814	1.27	0.82
PE 30:0; [M-H]-@5.40	ME191842	1.28	0.82
PE 36:2; [M-H]-@7.06	ME191857	1.23	0.85
CL 74:3; [M-2H](2-)@6.99	ME191766	1.21	0.86
FFA(24:0)	ME191788	1.22	0.86
PG 36:2; [M-H]-@6.02	ME191878	1.17	0.89
plasmenyl-PE 34:2; [M-H]-@6.75	ME191910	1.17	0.89
PE 40:2; [M-H]-@7.64	ME191867	1.19	0.88
plasmenyl-PE 32:0; [M-H]-@7.15	ME191907	1.18	0.88

Factors:

F1	Type of MS:Benign MS
F2	Type of MS:SPMS

Data matrix