Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002283)

(Analysis AN003728)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
"3-(4-Butylphenyl)-4-(4-fluorophenyl)-1,3-oxazol-2(3H)-one"	ME546988	0.09	7.41	0.07	0.09	0.08	0.10	0.08	0.08
Methylimidazoleacetic acid	ME547044	0.06	6.76	0.03	0.54	0.44	0.04	0.02	0.11
2-Naphthylamine	ME546986	0.07	0.12	0.68	6.03	0.05	0.86	0.05	0.14
Prolylglycine	ME547075	0.02	0.54	0.02	7.07	0.02	0.01	0.02	0.29
DL-Stachydrine	ME547031	0.03	1.69	0.08	0.95	0.16	4.74	0.04	0.30
"N,N-Diethylethanolamine"	ME547045	0.06	3.07	0.08	0.85	0.05	3.45	0.07	0.38
12-Aminododecanoic acid	ME546975	0.20	0.12	0.12	0.14	0.21	6.93	0.14	0.13
Cafestol	ME547013	0.18	0.03	0.40	0.03	0.38	6.81	0.14	0.03
"9-Oxo-10(E),12(E)-octadecadienoic acid"	ME546998	0.23	0.01	0.25	0.03	0.40	6.97	0.10	0.01
Pinolenic acid	ME547073	0.19	0.05	0.27	0.10	0.24	6.99	0.10	0.04
12-Oxo phytodienoic acid	ME546976	0.26	0.10	0.12	0.10	0.64	6.54	0.14	0.10
"N-{4-[(2R,3R)-3-(Hydroxymethyl)-5-oxo-2-morpholinyl]phenyl}-3-methylbutanamide"	ME547049	0.26	0.16	0.18	0.25	0.24	6.41	0.28	0.21
Penbutolol	ME547072	0.19	0.20	0.18	0.31	0.15	6.72	0.14	0.11
Prostaglandin B1	ME547077	0.20	0.15	0.19	0.18	0.38	6.62	0.17	0.11
Palmitoyl ethanolamide	ME547059	0.03	0.11	0.01	0.55	0.02	7.17	0.02	0.09
Tramadol N-Oxide	ME547082	0.09	0.13	0.08	0.06	0.11	7.23	0.16	0.13
10-Nitrolinoleate	ME546972	0.02	0.02	0.05	0.02	0.07	7.80	0.01	0.01
Caffeine	ME547014	0.10	0.07	0.08	0.06	0.08	7.44	0.09	0.07
"2-Methoxy-N-[(3S,3aS,8S,9S,9aS,9bS)-3,5a,9-trimethyl-2-oxododecahydronaphtho[1,2-b]furan-8-yl]acetamide"	ME546985	0.05	0.06	0.05	0.06	0.06	7.59	0.07	0.05
alpha-Eleostearic acid	ME547091	0.09	0.05	0.04	0.03	0.13	7.56	0.06	0.05
CUDA	ME547021	0.28	0.03	0.07	0.05	1.09	6.42	0.03	0.03
"15(R),19(R)-hydroxy Prostaglandin E1"	ME546978	0.30	0.11	0.21	0.15	1.09	5.85	0.17	0.12
"2,3-Dinor-8-epi-prostaglandin F2alpha"	ME546981	0.46	0.08	0.13	0.08	1.15	5.83	0.20	0.08
Acetophenone	ME547001	0.18	0.47	0.88	0.43	0.09	5.84	0.06	0.06
Ethyl palmitoleate	ME547035	0.10	0.25	0.88	0.59	0.10	5.87	0.10	0.09
"5(Z),8(Z),11(Z)-Eicosatrienoic acid ethanolamide"	ME546992	0.21	0.18	0.18	0.78	0.16	6.19	0.15	0.15
10-Nitrooleate	ME546973	0.28	0.26	0.29	0.33	0.32	6.05	0.26	0.21
Tramadol	ME547081	0.29	0.32	0.23	0.20	0.28	6.08	0.35	0.25
9-Nitrooleate	ME546997	0.25	0.26	0.38	0.27	0.34	5.80	0.37	0.34
Venlafaxine	ME547088	0.23	0.30	0.33	0.35	0.38	5.52	0.50	0.40
"13,14-Dihydro-15-keto Prostaglandin A2"	ME546977	0.51	0.13	0.61	0.15	1.17	4.82	0.49	0.11
9-Oxo-ODE	ME546999	0.61	0.09	0.66	0.11	1.35	4.84	0.25	0.09
"9S,13R-12-Oxophytodienoic acid"	ME547000	0.66	0.15	0.40	0.17	1.41	4.85	0.23	0.13
Urocanic acid	ME547087	0.69	0.22	0.80	0.40	0.71	4.73	0.34	0.11
Erucamide	ME547034	0.76	0.75	0.34	0.23	0.75	4.75	0.26	0.17
Sedanolide	ME547078	0.44	0.41	0.42	0.38	0.60	4.85	0.36	0.54
11-alpha-Hydroxy-17-methyltestosterone	ME546974	0.86	0.34	0.48	0.26	1.41	3.79	0.68	0.19
6-Ketoprostaglandin F1alpha	ME546994	0.96	0.05	0.34	0.05	2.24	3.73	0.59	0.04
Cyclo(leucylprolyl)	ME547022	0.15	0.10	0.17	0.11	0.27	3.13	0.06	4.00
N6-Acetyl-L-lysine	ME547050	0.05	0.49	2.63	0.24	0.22	0.04	0.03	4.30
"1,3-di-o-Tolylguanidine"	ME546971	1.41	0.24	0.12	0.11	0.54	0.24	0.07	5.27
Zolazepam	ME547090	0.10	0.13	0.11	0.10	0.10	0.10	0.10	7.26
Alanyltyrosine	ME547008	0.61	0.22	0.15	1.94	4.78	0.11	0.14	0.04
Desthiobiotin	ME547026	0.70	0.12	0.09	0.07	6.29	0.05	0.64	0.05
N-Acetylhistamine	ME547052	0.32	0.42	5.14	0.22	0.34	1.40	0.07	0.08
N8-Acetylspermidine	ME547051	1.09	0.02	5.03	0.11	0.33	0.29	1.12	0.01
Adenine	ME547006	1.53	0.60	4.26	0.31	0.81	0.11	0.23	0.13
Palmitoyl sphingomyelin	ME547060	0.58	0.22	3.85	0.63	1.28	0.64	0.76	0.03
Nicotinamide	ME547053	2.87	0.28	0.22	0.20	0.40	0.29	3.55	0.19
Tetrakis(2-hydroxypropyl)ethylenediamine	ME547080	3.19	0.25	0.08	0.08	0.55	0.02	3.63	0.18
Acetyl-L-carnitine	ME547004	1.73	0.57	0.03	1.03	0.28	1.12	3.13	0.11
"2,2,6,6-Tetramethyl-4-piperidinol"	ME546980	1.10	0.96	0.97	0.74	0.55	0.49	2.66	0.53
Bis(4-ethylbenzylidene)sorbitol	ME547012	0.54	0.54	0.60	1.02	0.59	0.84	3.43	0.44
DL-Carnitine	ME547029	1.16	0.19	1.00	1.29	0.45	0.28	3.40	0.22
N-Phenylacetylglutamine	ME547058	0.33	0.05	1.57	0.20	0.79	0.11	4.91	0.05
Ecgonine	ME547033	0.29	0.04	0.69	0.11	1.10	0.60	5.10	0.06
Tribufos	ME547083	0.39	0.42	0.84	0.44	0.32	0.29	5.09	0.22
Creatine	ME547019	0.67	0.01	2.11	0.01	1.62	0.06	3.53	0.00
Taurine	ME547079	1.33	0.02	0.53	0.02	1.54	0.56	3.99	0.02
Acetylcholine	ME547003	0.28	0.31	0.61	1.87	0.19	2.51	1.56	0.67
DL-Metanephrine	ME547030	0.16	0.51	0.11	3.56	0.27	3.11	0.10	0.19
2-Phenylacetohydrazide	ME546987	1.21	1.66	0.35	0.63	0.71	0.10	0.33	3.00
Adenosine	ME547007	0.50	0.81	0.22	1.14	0.54	0.76	0.41	3.63
alpha-Lactose	ME547092	0.06	0.21	0.18	0.07	2.09	0.47	2.48	2.43
D-(+)-Maltose	ME547024	0.07	0.48	0.23	0.18	2.47	0.64	1.06	2.87
Cytosine	ME547023	1.37	0.89	0.50	0.63	2.68	1.63	0.18	0.12
Victoria Pure Blue BO	ME547089	0.23	0.47	0.23	0.37	3.70	2.27	0.44	0.28
Creatinine	ME547020	1.23	0.13	1.28	0.07	2.44	0.09	2.73	0.02
Caprolactam	ME547015	1.24	0.48	0.65	0.52	3.02	0.63	1.15	0.32
Choline	ME547016	1.73	0.24	1.01	0.35	2.43	0.16	2.00	0.08
"N,N^-Diphenylguanidine"	ME547047	1.53	0.82	0.88	0.28	2.19	0.22	1.52	0.55
D-Panthenol	ME547032	2.58	0.85	0.67	0.09	1.41	0.17	2.13	0.10
6-Methylnicotinamide	ME546995	2.37	0.04	1.68	0.03	1.43	0.02	2.41	0.02
Hypoxanthine	ME547039	1.75	0.09	2.11	0.16	1.74	0.13	1.97	0.03
Nootkatone	ME547056	2.00	0.31	1.61	0.25	1.79	0.45	1.41	0.18
L-Norleucine	ME547042	1.77	0.42	1.44	0.30	2.12	0.65	0.45	0.85
L-Phenylalanine	ME547043	1.76	0.21	2.08	0.29	1.60	1.36	0.59	0.12
N-Methylhydantoin	ME547054	3.03	2.00	0.24	0.40	1.70	0.24	0.29	0.09
Triethanolamine	ME547084	2.93	1.07	1.19	0.29	1.04	0.35	0.75	0.38
2-Aminonicotinic acid	ME546984	1.95	1.31	0.49	0.40	2.06	0.71	0.72	0.35
D-(+)-Proline	ME547025	2.53	0.77	1.05	0.50	2.17	0.28	0.55	0.14
Histamine	ME547038	2.24	3.78	0.17	0.48	0.86	0.01	0.19	0.26
N-Methylnicotinamide	ME547055	1.89	2.34	0.47	1.08	1.25	0.19	0.56	0.22
Prolinamide	ME547074	1.87	2.68	0.59	1.08	0.85	0.20	0.59	0.14
Trimethoprim impurity C	ME547086	1.58	2.74	0.56	1.23	1.04	0.20	0.50	0.15
"2,6,10-Trimethyl-2,6,10-triazaundecane"	ME546983	1.15	1.09	0.74	1.07	0.86	2.05	0.90	0.15
"N-{4-[(2R,3R)-3-(Hydroxymethyl)-4-isobutyl-5-oxo-2-morpholinyl]phenyl}-2-methoxyacetamide"	ME547048	0.77	0.72	1.46	0.91	0.73	1.99	0.80	0.62
"2-(3-{[3-(Tetrahydro-2H-pyran-4-ylamino)-3-oxetanyl]methyl}-1,2-oxazol-5-yl)ethanol"	ME546979	0.73	0.83	2.14	0.68	0.71	1.22	0.77	0.91
Bis(2-ethylhexyl) amine	ME547011	1.28	1.60	1.43	0.44	0.67	1.47	0.41	0.69
4-Piperidinecarboxamide	ME546991	1.14	2.14	0.50	0.93	0.76	0.20	0.40	1.92
Irgafos 168	ME547040	0.61	1.79	0.78	1.44	0.98	0.22	0.68	1.50
Acetyl-beta-methylcholine	ME547005	0.41	0.87	0.92	1.92	0.28	1.10	1.00	1.50
"6-Hydroxy-1-(hydroxymethyl)-5-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl propylcarbamate"	ME546993	0.60	1.30	0.67	1.08	1.18	1.00	0.41	1.75
"N,N-Diisopropylethylamine (DIPEA)"	ME547046	0.81	1.22	0.74	0.79	0.93	0.96	1.15	1.39
Dextromethorphan	ME547027	0.72	0.72	1.06	1.13	0.82	0.92	0.77	1.86
Norbutorphanol	ME547057	0.95	0.77	1.07	0.88	0.72	0.98	0.77	1.87
"8-Bromo-2-(3-pyridinylcarbonyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione"	ME546996	2.06	1.31	1.31	1.17	0.06	0.08	0.79	1.21
4-Acetamidobutanoic acid	ME546989	1.61	1.08	1.91	1.04	1.23	0.40	0.67	0.06
Didecyldimethylammonium	ME547028	2.15	0.56	0.77	1.74	0.80	0.56	0.80	0.63
Acetylarginine	ME547002	1.36	1.82	0.83	1.13	1.27	0.37	1.08	0.14
Coumatetralyl	ME547018	1.64	1.48	0.74	1.63	1.19	0.44	0.80	0.08
L-Alanyl-L-proline	ME547041	1.30	1.40	0.72	2.10	1.14	0.68	0.54	0.13
Prolylleucine	ME547076	1.09	1.52	0.88	1.92	1.01	0.64	0.73	0.20
Coniine	ME547017	0.88	1.56	1.32	0.52	0.55	0.84	1.52	0.80
Guanine	ME547037	1.09	1.18	1.04	0.90	0.93	0.24	1.73	0.89
Amphetamine	ME547009	1.82	0.86	0.72	0.81	0.91	1.01	1.43	0.44
PEG n14	ME547065	1.10	0.96	0.99	1.87	0.71	0.77	1.01	0.59
PEG n13	ME547064	1.06	0.90	1.02	1.83	0.75	0.75	1.05	0.64
PEG n15	ME547066	1.09	0.92	1.06	1.78	0.74	0.79	1.02	0.60
PEG n12	ME547063	1.14	0.94	1.01	1.60	0.81	0.73	1.05	0.71
PEG n16	ME547067	1.07	0.95	1.01	1.66	0.87	0.75	1.02	0.66
"2,4-Bis(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol"	ME546982	1.20	1.08	1.25	0.77	0.84	1.02	1.23	0.61
PEG n6	ME547069	1.33	0.87	1.09	0.93	0.93	0.66	1.18	1.01
PEG n8	ME547071	1.38	0.93	1.17	0.97	0.79	0.90	1.13	0.73
PEG n10	ME547061	1.32	0.99	1.11	1.13	0.82	0.72	1.14	0.77
PEG n7	ME547070	1.47	0.99	1.06	0.99	0.88	0.69	1.16	0.77
PEG n11	ME547062	1.19	1.04	1.02	1.29	0.81	0.74	1.09	0.83
PEG n5	ME547068	1.17	0.82	0.92	1.30	1.03	0.65	1.09	1.01
Betaine	ME547010	0.35	1.54	1.13	2.24	0.14	0.40	0.27	1.93
Triethylene glycol monobutyl ether	ME547085	0.58	0.62	0.59	3.96	0.44	0.37	0.69	0.75
4-Guanidinobutyric acid	ME546990	0.76	1.08	0.74	2.89	0.83	0.82	0.47	0.41
Glycylproline	ME547036	1.06	0.86	0.77	2.31	0.86	1.16	0.37	0.61

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