Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002283)

HILIC NEGATIVE ION MODE (Analysis AN003729)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
"3-[(2-Chloro-6-fluoroanilino)methylidene]pentane-2,4-dione"	ME547162	0.01	0.05	0.01	0.01	0.01	0.01	0.01	7.90
8-Iso-15-keto-prostaglandin-F2beta	ME547149	0.14	0.21	0.29	0.05	0.14	0.17	0.12	6.87
DL-Mandelic acid	ME547137	0.12	0.05	0.72	0.23	1.44	0.63	0.04	4.77
alpha-Lactose	ME547093	0.07	0.79	0.04	0.28	0.73	0.35	0.26	5.47
Sucrose	ME547104	0.06	0.77	0.03	0.27	0.78	0.36	0.27	5.46
3-Hydroxydecanoic acid	ME547160	0.30	0.01	0.09	4.40	0.74	2.15	0.20	0.11
D-(-)-Mannitol	ME547140	0.04	0.06	0.02	6.73	0.03	1.08	0.02	0.02
Monobutyl phthalate	ME547123	0.28	0.11	0.17	6.59	0.31	0.16	0.16	0.22
Salicylic acid	ME547106	0.20	0.18	0.29	6.02	0.75	0.22	0.12	0.21
12-Oxo leukotriene B4	ME547171	1.12	0.01	0.70	0.10	1.21	4.00	0.84	0.02
Azelaic acid	ME547144	0.44	0.38	1.07	0.67	0.52	3.95	0.37	0.60
16-Hydroxyhexadecanoic acid	ME547166	0.44	0.17	0.98	0.46	0.93	4.86	0.14	0.03
Palmitic acid	ME547115	0.58	0.39	1.04	0.47	0.62	4.49	0.31	0.09
trans-10-Heptadecenoic acid	ME547100	0.36	0.06	1.04	0.14	0.65	5.49	0.20	0.07
alpha-Eleostearic acid	ME547094	0.10	0.01	1.29	0.02	0.13	6.34	0.09	0.02
Linoleic acid	ME547126	0.22	0.01	1.44	0.03	0.11	6.08	0.10	0.01
Phenylacetic acid	ME547108	0.09	0.05	1.80	0.07	0.37	5.56	0.03	0.02
Oleic acid	ME547117	0.21	0.01	1.74	0.06	0.18	5.71	0.07	0.01
trans-Petroselinic acid	ME547099	0.20	0.01	1.63	0.06	0.18	5.82	0.09	0.01
"11(Z),14(Z)-Eicosadienoic acid"	ME547176	0.13	0.02	1.62	0.19	0.12	5.81	0.09	0.02
11(Z)-Eicosenoic acid	ME547175	0.11	0.03	1.51	0.16	0.14	5.95	0.07	0.02
Adrenic acid	ME547146	0.14	0.01	2.55	0.10	0.09	4.93	0.16	0.01
Docosahexaenoic acid	ME547135	0.22	0.00	2.75	0.01	0.08	4.76	0.18	0.01
15-OxoEDE	ME547167	0.77	0.01	1.51	0.17	0.55	4.61	0.38	0.01
"CP 47,497-C8-Homolog C-8-hydroxy metabolite"	ME547141	0.34	0.01	2.00	0.27	0.41	4.50	0.48	0.01
Palmitoleic acid	ME547114	0.39	0.06	1.99	0.07	0.37	5.00	0.09	0.03
L-(-)-Arabitol	ME547128	0.04	1.68	0.02	0.05	0.02	6.14	0.03	0.01
13(S)-HpOTrE	ME547170	0.17	0.02	0.20	0.04	0.18	7.26	0.12	0.01
10-Nitrolinoleate	ME547177	0.01	0.01	0.04	0.01	0.07	7.84	0.01	0.00
N-Acetyl-4-aminosalicylic acid	ME547120	0.02	0.03	0.01	0.04	0.02	7.85	0.01	0.01
12-Hydroxydodecanoic acid	ME547172	0.06	0.03	0.03	0.29	0.08	7.46	0.03	0.02
Hydrocinnamic acid	ME547131	0.06	0.03	0.03	0.22	0.02	7.61	0.02	0.01
Tetradecanedioic acid	ME547102	0.07	0.03	0.02	0.13	0.15	7.54	0.02	0.03
Labdanolic acid	ME547127	0.35	0.02	0.53	0.17	0.46	6.28	0.18	0.01
Myristic acid	ME547122	0.25	0.15	0.91	0.23	0.23	6.06	0.13	0.04
N-Isovalerylglycine	ME547118	0.46	0.13	0.13	0.20	0.41	6.45	0.17	0.05
"13,14-dihydro Prostaglandin F1alpha"	ME547169	0.31	0.01	0.20	0.04	0.68	6.62	0.14	0.01
"2,3-Dinor prostaglandin E1"	ME547164	0.35	0.02	0.17	0.04	0.70	6.49	0.22	0.02
10-Hydroxydecanoic acid	ME547178	0.14	0.11	0.15	0.36	0.80	6.29	0.08	0.07
Kynurenic acid	ME547129	0.10	0.06	0.21	0.24	0.53	6.52	0.08	0.27
Hexadecanedioic acid	ME547132	0.67	0.09	0.25	0.10	1.02	5.77	0.07	0.03
Dodecanedioic acid	ME547134	0.32	0.02	0.08	0.04	1.04	6.32	0.15	0.02
Corchorifatty acid F	ME547142	0.45	0.02	0.33	0.05	0.90	6.00	0.23	0.02
Tetranor-12R-HETE	ME547101	0.41	0.03	0.23	0.06	0.88	6.16	0.19	0.03
4-Phenolsulfonic acid	ME547155	0.17	0.01	0.24	0.01	1.38	0.89	5.29	0.00
3-Hydroxybutyric acid	ME547161	0.15	0.05	2.58	0.08	0.41	0.56	4.14	0.04
Hypoxanthine	ME547130	1.68	0.05	2.19	0.10	1.74	0.07	2.14	0.02
Taurine	ME547103	1.46	0.03	0.76	0.01	1.56	0.88	3.27	0.03
Adenine	ME547147	0.85	0.36	5.85	0.19	0.46	0.04	0.12	0.13
Uric acid	ME547097	0.79	0.02	4.93	0.12	0.56	1.06	0.40	0.12
3-Indoxyl sulphate	ME547159	0.14	0.02	3.43	0.05	0.87	1.61	1.87	0.01
"11,12-Epoxy-(5Z,8Z,11Z)-icosatrienoic acid"	ME547174	0.34	0.02	4.28	0.02	0.32	2.60	0.38	0.05
Arachidonic acid	ME547145	0.60	0.00	3.24	0.02	0.31	3.39	0.43	0.01
"1-Methyl-3,6-(1H,2H)-pyridazinedione"	ME547165	0.92	0.11	3.48	0.05	2.95	0.42	0.06	0.01
Uracil	ME547098	1.25	0.20	3.01	0.30	2.23	0.21	0.76	0.03
Urocanic acid	ME547096	1.89	1.36	0.54	0.40	2.14	0.64	0.59	0.44
7-Methylxanthine	ME547152	0.83	0.64	0.99	0.69	1.00	1.00	1.07	1.78
4-Dodecylbenzenesulfonic acid	ME547158	1.76	0.76	1.20	0.60	1.50	0.75	0.73	0.71
Ostruthin	ME547116	1.58	0.81	1.27	0.65	1.56	0.70	0.76	0.68
Perfluorononanoic acid (PFNA)	ME547110	0.94	0.98	1.24	1.03	1.04	1.09	0.95	0.72
Perfluorooctanoic acid (PFOA)	ME547109	0.97	1.04	1.28	1.01	1.04	1.07	0.87	0.72
Perfluoroheptanoic acid	ME547112	1.08	1.05	0.99	0.95	1.01	1.07	1.07	0.78
Perfluorohexanoic acid	ME547111	0.93	1.02	1.15	0.94	1.01	0.99	1.12	0.85
4-Hydroxybenzaldehyde	ME547157	0.85	0.50	0.83	1.62	0.69	2.55	0.65	0.31
Methylmalonic acid	ME547125	0.80	0.71	1.15	0.92	0.76	2.32	0.59	0.75
"8-iso-13,14-dihydro-15-keto Prostaglandin F2alpha"	ME547150	1.51	0.01	1.33	0.03	1.84	1.87	1.39	0.02
Stearic acid	ME547105	1.28	0.23	1.24	0.82	1.67	1.97	0.53	0.26
"5-[(3Z)-5-Hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid"	ME547154	1.10	0.26	1.12	0.34	0.52	2.66	1.63	0.37
"8(S)-Hydroxy-(5Z,9E,11Z,14Z)-eicosatetraenoic acid"	ME547151	0.98	0.00	2.23	0.05	0.84	2.75	1.14	0.01
Xanthine	ME547095	1.12	0.15	2.72	0.15	1.44	2.07	0.22	0.14
4-Oxoproline	ME547156	1.67	0.34	2.34	0.89	0.86	0.68	1.08	0.15
Saccharin	ME547107	1.69	0.08	2.36	0.18	0.61	1.50	1.34	0.23
10-HDA	ME547179	1.33	0.03	0.09	0.05	4.94	1.16	0.38	0.02
1-(Carboxymethyl)cyclohexanecarboxylic acid	ME547180	1.83	0.01	0.02	0.01	5.37	0.13	0.63	0.00
Neopterin	ME547119	2.02	0.10	0.67	0.08	3.09	0.11	1.87	0.06
Acamprosate	ME547148	3.05	0.05	0.18	0.07	3.74	0.09	0.78	0.04
CAPSO	ME547143	3.00	0.05	0.20	0.05	3.60	0.08	0.99	0.03
Mono(2-ethylhexyl) phthalate (MEHP)	ME547124	6.97	0.01	0.40	0.02	0.50	0.01	0.09	0.01
11-Dehydro thromboxane B2	ME547173	5.75	0.18	0.08	0.06	0.33	0.08	1.45	0.07
"13,14-dihydro-15-keto-tetranor Prostaglandin D2"	ME547168	5.32	0.23	0.14	0.09	0.44	0.10	1.59	0.09
Dibutyl phthalate	ME547138	5.13	0.02	2.27	0.06	0.37	0.04	0.06	0.06
2-Naphthalenesulfonic acid	ME547163	2.70	0.37	1.64	0.30	1.56	0.58	0.42	0.43
5-Nitroindoline	ME547153	3.33	0.18	1.17	0.10	0.80	0.46	0.21	1.75
D-(+)-Galactose	ME547139	3.60	0.23	0.39	0.27	1.16	0.26	1.58	0.51
Panthenol	ME547113	2.81	0.37	0.87	0.10	1.45	0.15	2.17	0.10
DL-beta-Leucine	ME547136	3.97	0.04	0.89	0.27	1.81	0.51	0.50	0.02
Dodecyl sulfate	ME547133	4.63	0.25	0.90	0.15	0.59	0.33	1.02	0.13
Myristyl sulfate	ME547121	3.87	0.25	1.37	0.15	0.65	0.78	0.79	0.15

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