Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002283)

Reversed phase NEGATIVE ION MODE (Analysis AN003731)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
LPS(18:0)-H	ME548132	1.12	0.00	1.52	0.00	0.16	0.08	3.73	0.00
LPC(16:0)+HCOO	ME548115	3.18	0.02	0.55	0.00	1.40	0.43	2.40	0.02
LPI(18:0)-H	ME548131	1.82	0.03	1.24	0.04	0.75	0.40	3.44	0.03
LPE(18:2)-H	ME548129	2.51	0.03	0.20	NA	0.56	0.79	2.15	0.19
Cer(t20:0_26:0)+HCOO	ME548103	1.74	1.42	1.01	0.47	0.96	0.73	0.77	0.89
LPC(16:0)-CH3	ME548116	2.53	0.01	0.46	0.00	1.08	0.38	1.94	0.01
PC(16:0_16:0)+HCOO	ME548134	3.33	0.02	0.61	0.00	2.58	0.84	0.58	0.04
Cer(t18:0_25:0+O)+HCOO	ME548091	0.23	2.12	0.18	1.43	0.19	1.29	0.11	2.44
Cer(t18:0_26:0+O)+HCOO	ME548093	0.24	3.89	0.14	1.16	0.22	0.84	0.12	1.39
Cer(d18:1_24:1)-H	ME548041	0.95	0.66	1.51	1.19	1.06	1.20	1.21	0.23
Cer(t18:0_24:1)+HCOO	ME548088	0.95	1.00	1.37	1.03	0.90	1.13	1.02	0.60
Cer(t16:1_23:0)+HCOO	ME548065	NA	3.93	0.02	0.11	0.03	0.77	0.03	0.90
Cer(d17:1_16:0)+HCOO	ME548021	0.84	0.50	1.30	1.02	1.17	1.36	1.42	0.39
Cer(d18:1_17:0+O)+HCOO	ME548030	NA	0.56	NA	0.13	0.00	1.31	0.02	2.46
Cer(d18:1_26:1)+HCOO	ME548045	1.06	0.79	1.22	1.15	0.93	1.09	1.20	0.56
Cer(t17:1_15:0)+HCOO	ME548074	0.00	0.10	0.02	0.01	0.01	2.68	0.01	3.73
Cer(d15:0_20:2)+HCOO	ME548010	0.61	0.53	1.21	1.05	0.81	2.16	1.22	0.40
LPC(18:1)+HCOO	ME548120	2.87	0.03	0.47	0.01	1.24	0.39	2.97	0.03
PC(16:0_14:0)+HCOO	ME548133	3.94	0.01	0.10	0.01	1.92	1.06	0.19	0.01
Cer(d18:2_20:0)+HCOO	ME548050	0.88	0.62	1.27	0.97	1.14	1.56	1.05	0.51
Cer(t18:0_16:0)+HCOO	ME548080	0.02	0.43	0.01	0.14	0.02	2.23	0.03	3.54
Cer(d17:1_24:1)+HCOO	ME548023	0.80	0.46	1.19	0.94	1.04	1.64	1.24	0.68
Cer(d18:1_17:0)+HCOO	ME548029	0.87	0.51	1.09	0.89	1.17	1.53	1.41	0.52
Cer(d19:1_24:1)+HCOO	ME548057	1.16	0.74	1.39	1.45	1.09	1.07	1.00	0.10
Cer(d16:1_18:1)+HCOO	ME548015	1.18	0.86	1.40	1.31	1.19	0.86	1.07	0.11
Cer(t17:0_19:1)+HCOO	ME548071	0.01	1.99	0.04	0.38	0.02	1.51	0.03	2.07
Cer(t18:0_20:0+O)+HCOO	ME548084	0.14	3.01	0.06	1.73	0.05	1.13	0.05	1.67
Cer(d24:0_17:0)+HCOO	ME548061	1.30	0.93	1.01	0.94	1.22	1.04	1.15	0.41
Cer(d18:2_21:0)+HCOO	ME548051	0.84	0.50	1.31	1.01	1.08	1.54	1.28	0.43
Cer(d22:0_24:1)+HCOO	ME548060	0.03	0.06	NA	NA	NA	2.65	NA	1.43
Cer(d16:1_16:0)+HCOO	ME548013	0.99	0.63	1.31	1.04	1.15	1.21	1.41	0.26
Cer(d17:1_22:0)+HCOO	ME548022	0.82	0.60	1.20	1.18	1.17	1.50	1.23	0.30
Cer(d18:0_16:0)+HCOO	ME548024	0.93	0.49	1.50	0.97	1.08	1.48	1.22	0.31
Cer(d18:1_26:0)+HCOO	ME548044	0.90	0.98	1.48	1.42	0.69	0.97	1.22	0.34
Cer(d18:1_24:0)+HCOO	ME548038	1.04	0.74	1.32	1.25	1.06	1.10	1.29	0.18
Cer(d18:1_24:2)+HCOO	ME548042	1.17	0.61	1.50	0.99	1.08	1.14	1.40	0.11
Cer(d18:1_26:2)+HCOO	ME548046	0.86	0.71	1.04	0.67	0.67	0.98	1.00	2.07
Cer(t17:0_24:0+O)+HCOO	ME548072	0.11	0.86	0.08	0.91	0.10	1.93	0.06	3.95
Cer(d18:1_24:1)+HCOO	ME548040	0.96	0.82	1.39	1.27	1.10	1.05	1.15	0.25
Cer(d12:0_18:1)+HCOO	ME548007	1.08	0.64	1.00	0.96	0.93	1.91	1.08	0.40
Cer(d18:1_24:0)-H	ME548039	1.00	0.74	1.33	1.26	1.10	1.05	1.32	0.19
Cer(t18:0_18:1)+HCOO	ME548082	0.35	0.62	0.54	0.52	0.33	2.11	0.31	3.22
Hex2Cer(d18:1_24:0)+HCOO	ME548111	0.87	0.44	1.05	1.01	1.45	1.92	1.17	0.09
Cer(d14:2_22:0)+HCOO	ME548009	0.03	0.09	0.05	0.07	0.04	2.14	0.04	5.16
Cer(d15:0_22:1)+HCOO	ME548011	0.74	0.57	1.21	0.98	1.17	1.67	1.05	0.63
Cer(d13:0_22:0)+HCOO	ME548008	0.76	0.55	1.23	0.97	0.85	1.72	1.21	0.71
Cer(d18:1_16:0)+HCOO	ME548027	0.94	0.59	1.35	1.02	1.24	1.27	1.38	0.21
LPC(18:2)+HCOO	ME548121	2.91	0.09	0.26	0.02	0.86	0.46	3.33	0.08
Cer(d18:0_24:0)+HCOO	ME548025	0.80	1.48	1.14	1.41	0.56	1.04	0.75	0.81
Cer(d18:1_25:0)+HCOO	ME548043	0.89	0.79	1.30	1.33	0.84	1.14	1.26	0.45
Cer(d17:1_14:0)+HCOO	ME548020	0.78	0.41	0.83	0.79	1.08	1.86	1.01	1.25
Cer(d18:0_24:1)+HCOO	ME548026	1.04	0.74	1.73	1.05	0.92	1.13	1.14	0.25
Cer(d18:1_20:0)+HCOO	ME548034	0.91	0.62	1.24	1.06	1.23	1.51	1.09	0.35
Cer(t18:1_14:0)+HCOO	ME548094	0.47	0.56	0.60	0.76	0.37	1.96	0.42	2.86
Cer(d18:2_24:2)+HCOO	ME548054	1.21	0.51	1.70	0.72	1.04	1.13	1.64	0.06
Cer(t17:1_18:1)+HCOO	ME548076	0.01	1.11	0.01	0.74	NA	1.37	0.01	1.65
LPC(20:4)+HCOO	ME548123	2.51	0.06	0.42	0.02	1.02	0.91	2.39	0.04
Cer(t18:0_25:0)+HCOO	ME548090	0.81	2.83	0.37	0.92	0.65	0.80	0.40	1.23
LPE(18:1)-H	ME548127	2.34	0.03	1.94	0.05	0.35	0.50	2.63	0.16
Cer(d24:2_18:1)+HCOO	ME548062	1.13	1.17	1.10	1.38	0.88	0.93	0.72	0.69
Cer(t16:1_16:1)+HCOO	ME548064	NA	0.05	0.00	NA	NA	1.27	NA	1.93
Cer(d20:0_25:0)+HCOO	ME548059	0.45	5.39	0.22	0.17	0.35	0.30	0.15	0.96
Cer(t17:1_23:0+O)+HCOO	ME548077	0.07	0.63	0.35	0.88	0.01	1.93	0.18	3.55
Cer(d18:1_18:0)+HCOO	ME548031	0.86	0.82	1.16	0.93	1.15	1.39	1.29	0.41
Cer(d19:1_18:0)+HCOO	ME548055	0.83	0.77	1.33	1.29	1.01	1.19	0.89	0.69
Cer(d18:2_16:0)+HCOO	ME548047	1.10	0.75	1.39	0.97	1.10	1.32	1.26	0.12
Cer(t18:0_18:0+O)+HCOO	ME548081	0.02	1.99	0.02	1.46	0.02	1.36	0.01	1.90
Cer(d18:2_23:0)+HCOO	ME548053	0.96	0.57	1.13	1.09	1.14	1.51	1.28	0.32
Hex1Cer(d18:1_16:0)+HCOO	ME548105	1.00	0.39	1.11	0.68	1.48	1.48	1.15	0.71
Cer(d18:1_16:0)-H	ME548028	0.97	0.56	1.31	1.03	1.24	1.26	1.37	0.26
Cer(t17:1_16:1)+HCOO	ME548075	NA	0.01	NA	NA	0.01	1.09	NA	1.52
Cer(t18:0_20:0)+HCOO	ME548083	0.35	2.73	0.47	0.97	0.29	1.12	0.29	1.78
Cer(t17:1_24:1)+HCOO	ME548078	0.04	0.06	0.17	0.17	0.03	2.92	0.25	3.57
Cer(t17:1_25:0+O)+HCOO	ME548079	0.02	1.50	0.05	1.91	0.01	1.67	0.03	2.82
Cer(d16:2_22:0)+HCOO	ME548017	0.01	0.08	0.03	0.03	0.03	1.69	0.02	3.97
Cer(t18:0_23:0)+HCOO	ME548086	0.76	1.75	0.56	1.15	0.48	1.14	0.41	1.75
Cer(t17:0_17:0+O)+HCOO	ME548070	0.08	3.78	0.07	0.88	0.07	1.10	0.09	1.94
Hex1Cer(d18:1_24:0)+HCOO	ME548108	0.99	0.51	1.36	0.94	1.29	1.39	1.02	0.49
Cer(t17:0_16:0)+HCOO	ME548069	NA	0.16	NA	0.03	NA	1.66	NA	2.28
Cer(d16:1_24:2)+HCOO	ME548016	0.96	0.32	1.54	0.86	1.09	1.41	1.67	0.16
Cer(d18:2_22:0)+HCOO	ME548052	0.99	0.48	1.35	0.90	1.09	1.43	1.43	0.33
Hex1Cer(d18:1_24:1)+HCOO	ME548109	0.86	0.50	1.36	0.91	1.19	1.46	0.90	0.82
Cer(d20:0_21:0)+HCOO	ME548058	0.81	0.70	1.29	1.18	1.05	1.24	1.41	0.32
Cer(t18:1_26:0+O)+HCOO	ME548100	1.56	1.57	0.97	0.39	1.49	0.69	0.70	0.63
Cer(t18:1_26:0)+HCOO	ME548099	1.28	1.25	1.07	0.39	1.22	0.96	0.64	1.20
Cer(t18:1_15:0)+HCOO	ME548095	0.61	0.75	0.50	0.49	0.36	2.26	0.35	2.69
LPC(16:1)+HCOO	ME548117	3.29	0.31	0.13	0.01	0.60	0.44	1.88	0.01
Cer(t20:1_17:0)+HCOO	ME548104	NA	0.21	0.02	0.03	NA	1.80	0.01	2.91
LPE(18:1e)-H	ME548128	1.73	0.04	3.88	0.06	0.38	0.21	1.69	0.01
Cer(t18:0_22:0)+HCOO	ME548085	0.53	1.66	0.58	1.29	0.50	1.28	0.51	1.66
Cer(t16:1_24:1)+HCOO	ME548066	0.83	0.18	0.17	0.49	0.67	4.61	0.75	0.30
Cer(t17:0_15:0+O)+HCOO	ME548068	NA	1.29	NA	0.05	NA	3.08	NA	1.25
Hex2Cer(d16:0_18:1)+HCOO	ME548110	1.24	0.38	0.88	0.86	1.29	1.92	1.24	0.18
Cer(d16:2_22:0+O)+HCOO	ME548018	0.27	0.71	1.46	1.27	0.12	1.88	0.86	1.44
Cer(t17:0_25:0+O)+HCOO	ME548073	0.04	1.25	0.03	1.23	0.04	1.67	0.03	3.72
Cer(d17:0_18:1)+HCOO	ME548019	0.80	0.57	1.32	1.19	1.12	1.25	1.11	0.64
Cer(t16:1_26:2)+HCOO	ME548067	0.72	0.60	0.42	0.55	0.74	3.51	0.85	0.03
Cer(d18:2_18:0)-H	ME548048	NA	0.12	NA	0.43	NA	4.13	0.00	0.15
Cer(d18:2_18:2)+HCOO	ME548049	NA	0.13	0.12	0.09	0.06	6.37	0.05	0.33
Cer(d18:1_18:2)+HCOO	ME548033	0.29	0.40	0.74	0.66	0.36	4.59	0.65	0.31
Cer(d19:1_24:0)+HCOO	ME548056	0.98	0.84	1.45	1.63	0.85	1.03	1.07	0.14
Cer(t20:0_16:0)+HCOO	ME548101	NA	0.47	0.00	NA	NA	1.13	0.00	2.23
Cer(d16:1_16:1)+HCOO	ME548014	1.08	0.60	1.12	0.91	1.04	1.98	1.05	0.21
Hex1Cer(d18:1_23:0)+HCOO	ME548107	0.82	0.55	1.28	1.12	1.38	1.37	1.02	0.45
Cer(d18:1_18:1)+HCOO	ME548032	0.69	0.81	1.02	0.99	0.83	2.32	0.88	0.45
Cer(t18:0_24:2)+HCOO	ME548089	0.82	0.64	0.61	1.45	0.84	2.77	0.77	0.10
Cer(t18:0_26:0)+HCOO	ME548092	0.81	2.80	0.45	0.99	0.49	0.87	0.37	1.22
Cer(t18:1_24:1)+HCOO	ME548098	0.76	0.69	0.92	1.22	0.76	1.57	0.99	1.10
LPC(18:0)+HCOO	ME548119	2.75	0.01	1.14	0.00	1.52	0.46	2.12	0.01
Cer(d18:1_22:0)+HCOO	ME548035	0.97	0.71	1.31	1.17	1.08	1.22	1.31	0.22
Cer(t18:1_22:0)+HCOO	ME548097	0.94	0.81	1.07	1.01	0.93	1.38	1.17	0.69
Cer(t18:1_16:0)+HCOO	ME548096	0.91	0.84	0.99	1.27	1.07	1.42	1.01	0.48
Cer(d15:0_26:3)+HCOO	ME548012	1.00	0.41	1.41	0.86	1.07	1.39	1.59	0.29
LPC(19:0)+HCOO	ME548122	1.18	0.02	0.72	NA	1.04	0.81	1.71	0.05
Cer(m17:1_25:0)+HCOO	ME548063	1.19	0.12	2.50	0.25	0.92	1.04	1.80	0.18
Cer(t18:0_24:0)+HCOO	ME548087	0.26	2.68	0.27	1.48	0.23	1.04	0.24	1.79
LPC(15:0)+HCOO	ME548114	2.36	2.07	0.32	0.02	0.64	0.34	2.16	0.08
LPE(16:0)-H	ME548124	2.58	0.06	1.42	0.07	0.38	0.84	2.37	0.27
LPE(18:0)-H	ME548126	1.92	0.00	3.84	0.00	0.31	0.10	1.82	0.01
Cer(d18:1_22:0)-H	ME548036	1.00	0.71	1.24	1.19	1.14	1.28	1.21	0.23
Cer(d18:1_23:0)+HCOO	ME548037	0.84	0.69	1.24	1.29	1.06	1.29	1.31	0.28
LPE(16:1e)-H	ME548125	1.38	0.03	4.30	0.05	0.33	0.31	1.59	0.00
LPC(17:0)+HCOO	ME548118	2.05	0.01	1.15	0.01	1.35	0.95	2.24	0.01
Cer(t20:0_25:0)+HCOO	ME548102	1.37	2.00	0.87	0.59	0.97	0.70	0.69	0.81
Hex1Cer(d18:1_22:0)+HCOO	ME548106	0.90	0.53	1.40	0.98	1.33	1.44	1.04	0.37
Hex2Cer(d18:1_24:1)+HCOO	ME548112	1.00	0.49	1.12	1.00	1.43	1.52	1.30	0.13
LPC(14:0)+HCOO	ME548113	2.47	1.82	0.19	0.01	0.24	0.13	1.01	NA
LPE(18:2e)-H	ME548130	1.05	0.01	4.26	0.03	0.26	0.24	1.53	0.00

Factors:

F1	Age:61 \| PMI:2-10 \| Deposition:Pre deposition \| State:Fresh
F2	Age:61 \| PMI:834 \| Deposition:Burial \| State:Skeletonised
F3	Age:67 \| PMI:2-10 \| Deposition:Pre deposition \| State:Fresh
F4	Age:67 \| PMI:790 \| Deposition:Burial \| State:Skeletonised
F5	Age:77 \| PMI:2-10 \| Deposition:Pre deposition \| State:Fresh
F6	Age:77 \| PMI:872 \| Deposition:Open pit \| State:Skeletonised
F7	Age:91 \| PMI:2-10 \| Deposition:Pre deposition \| State:Fresh
F8	Age:91 \| PMI:219 \| Deposition:Open pit \| State:Skeletonised

Data matrix