Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for NIST lipidomics intralaboratory study (Study ST000136)

MS positive ion mode (Analysis AN000218)

Metabolite	Structure	F1	F2	F3	F4
PS 40:6	ME681908	NA	NA	0.14	2.28
FA 12:0	ME681744	0.23	2.57	0.96	0.24
FA 20:3	ME681754	0.10	0.80	2.98	0.12
FA 20:5	ME681752	2.47	0.39	1.03	0.11
LPC 20:5	ME681856	2.61	0.47	0.65	0.26
PC 40:4	ME681841	0.57	0.73	1.54	1.17
SM 36:3	ME681950	0.56	0.58	1.59	1.27
PE 40:4	ME681889	0.50	0.67	1.43	1.40
SM 38:3	ME681955	0.51	0.61	1.52	1.36
SM31:0	ME681941	0.84	0.65	2.12	0.39
FA 20:0	ME681757	0.70	1.06	1.65	0.39
PG 38:4	ME681916	0.74	1.12	1.68	0.46
DG 38:4	ME681804	0.80	1.01	1.63	0.56
LPC 20:3	ME681858	0.67	1.00	1.72	0.61
FA 14:0	ME681745	0.57	1.16	1.93	0.34
FA 20:4	ME681753	0.61	1.05	1.85	0.49
DG 36:4	ME681798	0.74	0.62	1.83	0.80
Cer 16:0	ME681933	0.74	0.66	1.72	0.89
Cer 24:1	ME681938	0.81	0.66	1.73	0.80
PE 38:3	ME681880	0.63	0.61	1.80	0.96
SM 36:0	ME681953	0.67	0.61	1.70	1.02
PC 38:3	ME681844	0.68	0.71	1.65	0.96
PG 40:6	ME681917	0.68	0.68	1.68	0.96
Cer 18:0	ME681935	0.53	0.57	2.01	0.89
SM 43:1	ME681971	0.84	0.68	1.81	0.68
SM 37:1	ME681954	0.75	0.65	1.88	0.72
SM 39:1	ME681960	0.81	0.62	1.88	0.69
SM 41:1	ME681966	0.77	0.70	1.82	0.70
Cer 24:0	ME681939	0.74	0.73	1.86	0.67
DG 36:2	ME681800	0.72	0.72	1.88	0.68
PE 42:1	ME681892	0.57	0.65	2.05	0.73
Cer22:0	ME681937	0.66	0.71	1.93	0.70
DG 36:3	ME681799	0.65	0.70	1.88	0.76
SM 39:2	ME681959	0.74	0.63	1.99	0.64
Cer 20:0	ME681936	0.65	0.64	2.01	0.70
SM 40:0	ME681964	0.68	0.61	2.00	0.71
Cer 14:0	ME681932	0.66	0.63	1.93	0.77
SM 38:0	ME681958	0.71	0.62	1.94	0.73
DG 40:7	ME681809	1.07	0.57	1.72	0.64
FA 18:0	ME681751	0.74	0.95	1.52	0.79
SM 40:2	ME681962	0.82	0.87	1.57	0.74
DG 38:2	ME681806	0.72	0.84	1.64	0.80
LPC 18:0e	ME681854	0.77	0.82	1.64	0.77
FA 16:0	ME681747	0.65	0.88	1.72	0.74
SM 32:2	ME681942	0.79	0.84	1.75	0.63
DG 34:1	ME681795	0.98	0.73	1.65	0.65
PI 34:2	ME681919	0.98	0.80	1.52	0.70
LPC 18:0	ME681855	0.98	0.86	1.55	0.60
SM 33:0	ME681945	0.93	0.82	1.61	0.64
DG 34:3	ME681793	0.94	0.59	1.61	0.86
DG 40:6	ME681810	0.84	0.63	1.64	0.90
SM 34:2	ME681946	0.87	0.75	1.54	0.85
SM 44:1	ME681974	0.94	0.74	1.53	0.80
Cer 26:1	ME681940	0.92	0.68	1.57	0.83
DG 34:2	ME681794	0.93	0.69	1.60	0.78
SM 33:1	ME681944	0.83	0.73	1.66	0.77
SM 40:1	ME681963	0.81	0.79	1.65	0.75
SM 42:1	ME681969	0.83	0.78	1.68	0.72
SM 41:2	ME681965	0.89	0.66	1.67	0.78
SM 38:1	ME681957	0.89	0.74	1.63	0.74
SM 43:2	ME681970	0.90	0.71	1.62	0.76
FA 18:2	ME681749	0.45	0.88	1.86	0.80
FA 16:1	ME681746	0.36	0.83	2.06	0.74
FA 18:1	ME681750	0.40	0.90	1.99	0.71
FA 20:1	ME681756	0.26	0.90	2.18	0.48
FA 20:2	ME681755	0.15	1.02	2.22	0.40
FA 18:3	ME681748	0.57	0.80	2.28	0.35
FA 22:5	ME681759	0.51	0.90	2.11	0.49
Cer 18:1	ME681934	0.37	0.44	2.31	0.88
DG 40:5	ME681811	0.19	0.80	1.85	1.16
FA 22:4	ME681760	0.04	0.84	2.09	1.02
DG 36:5	ME681797	1.42	0.36	1.49	0.73
TG 50:1	ME681767	1.22	0.80	0.90	1.09
TG 52:1	ME681773	1.12	0.87	0.92	1.08
PE 34:0	ME681867	0.97	0.78	1.05	1.19
PE 36:4	ME681870	1.04	0.80	1.00	1.16
TG 50:2	ME681766	1.10	0.75	1.00	1.14
PC 32:0	ME681815	1.10	0.85	1.05	1.00
PE 36:3	ME681872	1.22	0.75	1.03	1.01
PE 34:2	ME681864	1.13	0.73	1.07	1.06
SM 44:3	ME681972	1.11	0.73	1.14	1.02
PS 38:1	ME681907	1.41	0.56	0.95	1.09
PS 38:2	ME681906	1.24	0.53	0.97	1.26
PE 34:1	ME681866	1.21	0.69	0.98	1.12
PS 36:0	ME681902	1.19	0.67	0.95	1.19
TG 48:2	ME681762	1.28	0.89	0.86	0.97
CE 20:5	ME681741	1.24	1.01	0.89	0.87
PI 36:1	ME681924	1.25	1.02	0.85	0.88
PC 38:5	ME681832	1.28	0.67	1.11	0.94
LPE 18:2	ME681895	1.35	0.80	0.95	0.89
PI 40:5	ME681930	1.35	0.77	0.99	0.89
LPC 20:1	ME681859	1.14	0.98	1.30	0.58
FA 22:6	ME681758	1.17	0.98	1.47	0.37
LPC 14:0	ME681846	1.13	0.93	1.43	0.50
PI 38:4	ME681926	1.10	0.86	1.19	0.86
PG 36:1	ME681915	1.14	0.80	1.28	0.78
PG 36:2	ME681914	1.15	0.84	1.22	0.79
LPC 18:1	ME681853	1.17	0.85	1.27	0.71
LPC 16:0	ME681850	1.10	0.86	1.29	0.75
LPC 16:0p	ME681848	1.10	0.89	1.26	0.74
DG 32:1	ME681790	1.31	0.80	1.09	0.80
PI 36:2	ME681923	1.23	0.85	1.10	0.82
DG 32:2	ME681789	1.25	0.82	1.17	0.76
PC 38:6	ME681830	1.21	0.84	1.20	0.75
PE 40:7e	ME681883	1.26	0.81	1.22	0.70
PI 38:2	ME681928	1.28	0.86	1.22	0.65
FA 22:1	ME681761	1.14	1.08	1.07	0.71
PC 40:2	ME681843	1.10	1.05	1.09	0.76
CE 18:1	ME681740	1.12	0.97	1.08	0.83
PI 34:1	ME681920	1.18	0.91	1.02	0.89
DG 36:0	ME681802	1.31	0.96	1.00	0.73
CE 18:2	ME681739	1.18	1.06	1.17	0.59
PC 40:8	ME681837	1.27	0.93	1.19	0.61
LPC 14:1	ME681845	1.24	1.02	1.09	0.66
LPC 18:2	ME681852	1.27	0.94	1.11	0.68
LPE 18:1	ME681896	1.54	0.80	0.87	0.79
PE 38:6	ME681877	1.46	0.81	1.03	0.69
PE 40:7	ME681884	1.48	0.87	1.00	0.66
LPE 16:0	ME681894	1.49	0.80	0.98	0.74
PI 40:6	ME681929	1.54	0.82	0.97	0.67
DG 34:0	ME681796	1.42	0.90	1.09	0.59
LPE 22:1	ME681898	1.37	0.81	1.15	0.67
DG 32:3	ME681788	1.40	0.83	1.15	0.62
PE 42:6p	ME681890	1.42	0.81	1.18	0.59
PC 40:6	ME681839	1.34	0.72	1.24	0.69
DG 34:4	ME681792	1.41	0.64	1.28	0.68
PE 40:6	ME681886	1.40	0.69	1.25	0.66
DG 38:1	ME681807	1.46	0.64	1.12	0.78
LPC 22:5	ME681861	1.47	0.73	1.13	0.68
CE 20:4	ME681742	0.86	1.18	1.08	0.88
SM 32:0	ME681943	0.55	0.94	1.53	0.98
CE 20:3	ME681743	0.67	1.01	1.27	1.05
LPC 22:4	ME681862	0.68	0.96	1.37	1.00
TG 56:6	ME681782	0.86	0.73	1.14	1.27
PC 32:1	ME681814	0.98	0.67	1.03	1.32
PC 36:2e/36:1p	ME681825	0.99	0.59	1.15	1.27
PI 40:4	ME681931	0.85	0.92	1.01	1.23
TG 56:4	ME681784	0.78	0.93	1.14	1.15
PC 34:1	ME681820	1.02	0.75	1.16	1.08
TG 50:3	ME681765	0.98	0.72	1.17	1.13
PC 34:0	ME681821	0.93	0.79	1.16	1.12
PC 34:2	ME681818	0.94	0.80	1.21	1.05
PC 38:5e/38:4p	ME681831	0.86	0.74	1.24	1.16
TG 54:5	ME681776	0.90	0.74	1.23	1.13
PC 36:4e/36:3p	ME681823	0.78	0.84	1.25	1.13
TG 52:2	ME681772	0.84	0.82	1.25	1.10
TG 52:3	ME681771	0.81	0.79	1.27	1.12
TG 54:3	ME681778	0.84	0.87	1.19	1.10
PE 40:5e	ME681887	0.85	0.80	1.21	1.14
TG 54:4	ME681777	0.84	0.83	1.19	1.14
PE 36:2e/36:1p	ME681873	0.82	0.76	1.37	1.05
TG 52:4	ME681770	0.79	0.74	1.36	1.11
PC 36:1e/36:0p	ME681827	0.70	0.73	1.40	1.17
PC 38:4	ME681833	0.70	0.80	1.39	1.11
PE 40:4p	ME681893	0.67	0.82	1.36	1.14
TG 56:5	ME681783	0.68	0.87	1.28	1.17
PE 38:4	ME681879	0.73	0.84	1.22	1.21
PE 38:5e/38:4p	ME681878	0.72	0.78	1.25	1.25
PE 40:5	ME681888	0.81	0.63	1.27	1.29
PC 38:3e/38:2p	ME681834	0.73	0.71	1.27	1.29
SM 40:3	ME681961	0.77	0.70	1.31	1.21
CE 18:3	ME681738	0.83	1.05	1.35	0.76
DG 38:0	ME681808	0.79	1.05	1.32	0.84
LPC 20:4	ME681857	0.98	1.00	1.29	0.73
PI 36:4	ME681921	0.94	1.03	1.37	0.66
PC 32:2	ME681813	0.90	0.86	1.45	0.79
LPE 18:0	ME681897	1.09	0.82	1.37	0.71
DG 36:1	ME681801	1.07	0.87	1.33	0.73
PC 38:1	ME681836	1.03	0.87	1.36	0.74
PC 36:0	ME681829	0.94	0.92	1.36	0.78
PI 38:5	ME681925	1.00	0.89	1.39	0.72
LPC 16:0e	ME681849	0.97	0.88	1.41	0.73
PG 36:3	ME681913	0.99	0.87	1.40	0.74
PE 36:5e/36:4p	ME681868	0.80	1.02	1.16	1.02
TG 54:2	ME681779	0.89	0.97	1.12	1.02
PI 38:3	ME681927	0.99	0.91	1.25	0.85
PE 36:0	ME681876	0.99	0.88	1.16	0.98
Cholesterol	ME681812	0.92	0.89	1.24	0.95
PC 40:3	ME681842	0.96	0.86	1.21	0.97
PC 34:2e	ME681817	0.95	0.84	1.26	0.95
SM 34:0	ME681948	0.96	0.85	1.25	0.94
PE 34:1p	ME681865	0.85	0.92	1.33	0.90
PE 34:2p	ME681863	0.81	0.93	1.36	0.90
PC 36:4	ME681824	0.87	0.88	1.24	1.01
PE 36:4e/36:3p	ME681869	0.79	0.94	1.27	1.00
SM 36:2	ME681951	0.79	0.68	1.51	1.01
DG 38:3	ME681805	0.71	0.78	1.56	0.95
PE 36:3e/36:2p	ME681871	0.77	0.82	1.50	0.91
SM 35:0	ME681949	0.84	0.78	1.47	0.91
TG 50:4	ME681764	1.12	0.70	1.24	0.94
TG 54:6	ME681775	1.11	0.62	1.30	0.97
PC 40:5	ME681840	0.93	0.68	1.32	1.07
SM 42:2	ME681968	0.99	0.75	1.37	0.89
PC 40:7	ME681838	1.04	0.77	1.32	0.88
PI 36:3	ME681922	1.07	0.73	1.32	0.88
PC 36:1	ME681828	0.94	0.75	1.35	0.97
PC 36:2	ME681826	0.94	0.80	1.29	0.98
SM 34:1	ME681947	0.93	0.79	1.27	1.02
PE 36:1	ME681875	1.02	0.69	1.26	1.03
PE 38:1	ME681882	1.02	0.74	1.28	0.96
SM 42:3	ME681967	1.00	0.75	1.27	0.98
PC 34:1e	ME681819	0.99	0.72	1.33	0.96
PE 36:2	ME681874	1.03	0.72	1.31	0.94
SM 44:2	ME681973	1.05	0.72	1.40	0.83
DG 38:5	ME681803	1.01	0.70	1.46	0.83
LPC 16:1	ME681847	1.00	0.74	1.47	0.78
PE 40:6e	ME681885	0.96	0.68	1.42	0.93
TG 52:5	ME681769	0.97	0.62	1.43	0.97
SM 36:1	ME681952	0.84	0.72	1.44	0.99
PC 34:3	ME681816	0.90	0.71	1.42	0.97
PE 42:5p	ME681891	0.87	0.72	1.39	1.01
PC 38:2	ME681835	0.92	0.80	1.42	0.86
PE 38:2	ME681881	0.93	0.73	1.47	0.87
PI 32:1	ME681918	0.90	0.75	1.43	0.93
SM 38:2	ME681956	0.89	0.74	1.45	0.92
LPC 22:6	ME681860	1.82	0.82	0.96	0.40
PG 34:2	ME681911	1.88	0.63	1.13	0.36
PS 36:2	ME681901	1.63	0.51	1.06	0.81
LPC 18:3	ME681851	1.64	0.74	1.03	0.59
DG 32:0	ME681791	1.69	0.65	1.06	0.60
PC 36:5	ME681822	1.67	0.64	1.07	0.62
LPE 22:6	ME681899	1.68	0.85	0.86	0.61
PG 34:1	ME681912	1.74	0.69	0.90	0.68
PS 36:4	ME681900	1.69	0.64	0.86	0.81
DG 30:2	ME681785	1.73	1.11	0.63	0.54
DG 30:1	ME681786	2.11	0.96	0.29	0.39
PS 38:5	ME681903	2.12	0.57	0.76	0.55
PS 40:5	ME681909	2.09	0.56	0.81	0.54
DG 30:0	ME681787	2.07	0.88	0.59	0.45
PS 38:3	ME681905	2.12	0.71	0.62	0.34
CE 16:1	ME681736	1.00	0.87	0.69	1.44
TG 52:0	ME681774	1.24	1.08	0.62	1.06
TG 54:1	ME681780	1.07	1.18	0.78	0.96
CE 16:0	ME681737	1.46	1.16	0.70	0.69
TG 54:0	ME681781	1.25	1.35	0.62	0.77
PS 38:4	ME681904	1.53	0.48	0.63	1.37
PS 40:4	ME681910	1.66	0.51	0.81	1.03
TG 48:1	ME681763	1.48	0.87	0.69	0.96
TG 50:0	ME681768	1.56	0.80	0.61	1.02

Factors:

F1	Diet:control
F2	Diet:fish oil
F3	Diet:flax seed
F4	Diet:QC

Data matrix