Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001782)

Reversed phase UNSPECIFIED ION MODE (Analysis AN002893)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
11,12-Epoxyeicosatrienoic acid	ME412565	0.14	0.28	6.27	0.09	0.42	0.09	0.06	0.65
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose	ME412562	0.86	0.79	1.22	0.50	1.35	1.04	1.16	1.08
CID 134693179	ME412652	0.66	4.49	0.05	0.13	0.58	0.20	0.16	1.73
10-Nitrolinoleic acid	ME412564	0.98	0.86	1.15	1.14	0.69	1.11	1.04	1.02
Dihydromethysticin	ME412673	0.67	1.31	1.76	0.56	0.38	0.67	0.67	2.00
10-HDA	ME412563	1.50	2.32	0.65	0.80	0.53	0.90	0.66	0.64
Bisoprolol	ME412642	0.55	1.58	0.34	1.82	0.89	1.47	0.85	0.49
13-HODE	ME412573	0.97	1.29	0.92	0.97	0.75	1.13	1.09	0.87
(±)-2-Hydroxy-4-(methylthio)butanoic acid	ME412552	1.06	0.84	1.06	1.26	0.89	0.85	1.03	1.02
Chenodeoxycholic acid	ME412646	0.40	2.00	0.40	0.77	0.67	0.64	0.67	2.46
3-Hydroxysebacic acid	ME412603	1.21	0.86	0.94	1.12	0.85	1.15	0.91	0.95
Astilbin	ME412637	1.36	1.09	0.58	0.74	1.02	1.78	0.45	0.97
Diethyl pyrocarbonate	ME412671	0.91	0.64	1.15	1.00	1.14	1.07	1.22	0.88
12(S)-HPETE	ME412568	0.78	0.84	2.29	0.89	0.93	0.89	0.76	0.61
2-Ketobutyric acid	ME412592	1.05	1.02	0.99	0.70	1.11	0.85	1.08	1.20
1-Aminocyclopropanecarboxylic acid	ME412576	1.13	1.20	0.84	0.59	1.27	0.60	1.04	1.32
Daidzein	ME412665	1.70	0.48	1.03	0.52	1.44	0.95	0.65	1.24
1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine	ME412578	0.99	1.06	0.92	0.97	1.04	1.01	1.15	0.86
Bevenopran	ME412640	1.05	1.37	0.65	0.86	1.19	1.01	0.51	1.37
2,2^-Iminodipropanol	ME412581	0.50	1.16	1.07	0.66	0.71	1.39	0.71	1.80
11-Aminoundecanoic acid	ME412566	1.15	0.78	0.91	1.11	0.82	1.12	1.17	0.94
3-Tert-Butyladipic acid	ME412610	0.66	1.25	0.54	1.41	1.19	0.76	1.19	1.00
Citric acid	ME412656	0.47	0.81	0.60	0.96	1.31	0.80	1.58	1.47
1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol	ME412561	0.73	1.30	1.54	0.62	0.52	0.71	0.65	1.95
16-Hydroxy hexadecanoic acid	ME412574	0.24	1.10	0.35	2.17	1.02	1.68	0.97	0.47
Artemether	ME412633	0.43	0.55	0.41	0.46	3.27	1.05	1.11	0.73
2-Ethyl-4,5-dimethylthiazole	ME412588	1.53	0.38	0.24	1.23	1.73	0.73	1.68	0.48
2,6-Di-tert-butyl-1,4-benzenediol	ME412583	0.81	1.31	0.57	1.96	1.01	0.85	0.96	0.54
Cinnamoylglycine	ME412653	0.90	0.99	0.58	0.62	1.25	1.09	1.05	1.51
Azelnidipine	ME412639	1.18	0.27	0.32	1.53	1.43	1.47	0.94	0.86
1-Methylhistamine	ME412579	1.36	0.34	1.85	0.35	1.42	0.42	0.51	1.75
(+)-Calycanthine	ME412550	0.13	0.70	0.82	1.34	1.43	1.04	1.75	0.79
3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile	ME412609	0.00	0.01	0.02	0.01	0.01	7.91	0.02	0.01
1-Arachidonoyl-sn-glycero-3-phosphocholine	ME412577	1.09	1.51	0.84	0.96	0.99	0.89	0.74	0.98
4-Hydroxybenzenesulfonic acid	ME412613	0.16	2.02	0.82	0.00	1.65	0.37	1.31	1.65
(±)-2,6-Dimethyl-5-heptenal	ME412551	1.39	1.18	0.93	0.51	1.16	0.87	0.87	1.09
Creatine	ME412660	1.32	0.78	1.34	0.56	1.35	0.57	1.01	1.07
2,4,6-Octatriyn-1-ol	ME412582	1.15	0.98	1.57	0.50	1.15	0.57	0.91	1.16
2-Keto-6-acetamidocaproate	ME412591	0.70	0.73	0.63	0.74	1.77	0.84	1.21	1.38
1-Octadecanoyl-sn-glycero-3-phosphoethanolamine	ME412580	0.99	1.15	0.76	0.94	1.06	1.06	1.20	0.84
20-Hydroxyeicosatetraenoic acid	ME412584	0.40	3.63	0.62	1.03	0.43	0.67	0.52	0.68
Cytosine	ME412662	0.77	0.69	0.71	1.54	1.11	0.91	1.38	0.89
2-Hexenoylcarnitine	ME412590	0.71	0.65	0.72	1.70	1.23	0.64	1.67	0.68
12(S)-Leukotriene B4	ME412569	0.28	2.65	0.34	2.17	0.41	0.45	0.74	0.97
Cascarillin	ME412644	0.92	1.16	1.33	0.79	0.46	0.98	0.85	1.52
Cedefingol	ME412645	1.02	1.13	0.72	0.79	1.07	0.93	0.96	1.38
Creatinine	ME412661	0.68	0.58	1.46	1.07	1.03	1.00	1.02	1.16
2-Dodecylbenzenesulfonic acid	ME412587	0.81	0.94	0.94	1.17	0.90	1.05	1.28	0.91
4-Hydroxy-5-methyl-3(2H)-thiophenone	ME412612	0.81	0.96	0.91	1.04	1.43	1.12	0.92	0.81
Butopyronoxyl	ME412643	0.38	2.00	0.39	2.00	0.74	0.60	1.46	0.45
4-Indolecarbaldehyde	ME412615	0.80	1.08	0.72	0.60	1.17	0.93	0.98	1.73
Deoxyuridine	ME412666	1.32	0.54	0.90	1.08	1.18	0.98	1.26	0.74
cis-4-Decenedioic acid	ME412654	0.47	1.60	0.33	1.63	0.99	0.75	1.53	0.70
11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol	ME412567	0.17	0.78	0.58	0.70	1.45	1.20	1.13	1.99
(±)-Camphoric acid	ME412553	0.21	1.12	0.23	3.33	0.76	0.70	1.25	0.39
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1^,2^,3^-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin	ME412586	0.55	1.28	1.69	0.57	0.44	0.73	0.65	2.08
4-Hydroxycinnamic acid	ME412614	1.15	1.13	0.94	0.69	1.34	0.66	1.08	1.03
12,13-DiHODE	ME412570	0.71	1.61	0.66	1.24	0.86	1.13	1.03	0.76
2-Tetrahydrothiopheneacetic acid	ME412597	0.39	0.42	0.47	2.04	1.58	0.58	1.57	0.96
5-Sulfosalicylic acid	ME412621	0.81	0.91	1.25	1.06	0.74	1.00	0.81	1.41
2-Furoic acid	ME412589	0.41	0.78	0.54	1.00	1.39	0.77	1.59	1.51
Chlorpromazine	ME412647	0.00	0.00	0.01	0.09	7.88	0.00	0.00	0.01
3-Carboxy-4-methyl-5-propyl-2-furanpropionate	ME412600	1.86	0.29	0.19	0.83	1.48	1.18	1.74	0.42
Cholic acid	ME412648	0.65	1.29	0.34	0.72	0.97	0.22	0.74	3.07
4-Oxo-L-proline	ME412617	0.79	1.02	1.35	0.71	1.19	0.62	1.02	1.31
4-Vinylphenol sulfate	ME412619	1.11	1.14	0.34	1.51	1.40	0.82	0.65	1.04
Choline	ME412649	0.71	1.02	0.60	0.87	1.44	0.68	1.16	1.52
2-Acetyl-4-methylpyridine	ME412585	1.09	1.04	1.32	0.53	1.30	0.57	0.97	1.19
dacisteine	ME412664	0.42	0.38	0.18	1.49	1.31	1.42	1.69	1.12
4-Methylene-L-glutamine	ME412616	1.38	0.87	0.94	0.69	1.18	0.84	1.02	1.07
DIBOA-Glc	ME412668	2.19	1.43	1.58	0.37	0.37	0.95	0.59	0.52
12-Hydroxydodecanoic acid	ME412571	0.13	4.20	0.28	0.90	0.74	0.72	0.67	0.36
2-Oxoglutaric acid	ME412595	0.91	0.12	0.51	1.04	1.22	1.26	1.76	1.19
2-Methyl-5-nitroaniline	ME412593	0.64	1.22	0.61	1.06	1.35	0.77	1.18	1.17
(2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid	ME412555	1.05	2.50	0.98	0.65	0.86	0.44	0.98	0.53
Aspartyl-L-proline	ME412636	0.70	0.34	0.52	0.93	2.36	0.77	1.39	0.99
Avocadene 1-acetate	ME412638	0.48	0.86	0.65	0.89	1.28	0.74	1.51	1.59
3-Methylcyclohexanethiol	ME412607	0.97	0.59	0.84	1.01	1.35	1.13	1.13	0.96
Alanylglycine	ME412628	0.94	0.93	0.58	0.85	1.24	0.72	1.46	1.27
Citrulline	ME412657	1.28	1.22	0.99	0.66	0.97	0.89	0.91	1.07
3-Hydroxymethylglutaric acid	ME412602	0.41	0.99	0.39	1.43	1.27	0.54	1.88	1.08
A-12(13)-EpODE	ME412624	0.80	2.53	0.66	1.09	0.63	0.93	0.75	0.62
Clozapine	ME412658	0.01	0.00	0.00	7.97	0.00	0.01	0.01	0.00
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid	ME412601	0.98	0.53	1.06	1.06	1.14	1.20	1.16	0.86
3-Mercaptohexyl butyrate	ME412606	1.50	1.41	0.96	1.10	0.53	0.62	0.69	1.18
3-Hydroxytetradecanedioic acid	ME412604	1.13	3.30	0.32	0.74	0.41	0.75	0.40	0.94
Ascorbic acid 2-sulfate	ME412635	0.46	1.18	0.59	1.15	1.04	0.80	1.12	1.67
19,20-DiHDPA	ME412575	0.27	3.06	0.32	0.79	0.64	0.40	1.53	0.99
2-Octanamidoacetic acid	ME412594	0.27	1.33	0.41	2.05	1.21	1.02	1.01	0.70
12-Hydroxystearic acid	ME412572	0.65	1.60	0.96	1.21	0.69	1.20	0.74	0.94
3,5-Dihydroxybenzoic acid	ME412599	0.92	1.07	0.84	0.66	1.16	1.33	0.66	1.36
Allantoin	ME412629	0.57	0.81	0.96	1.05	1.48	0.80	0.96	1.37
Amidosulfonic acid	ME412631	0.54	0.60	0.60	1.17	1.23	0.92	1.78	1.15
2-tert-Butyl-1,4-benzenediol	ME412596	0.89	1.22	0.57	1.46	1.06	1.20	1.03	0.57
3, 5-Tetradecadiencarnitine	ME412598	0.42	1.18	0.43	1.79	1.21	1.40	1.02	0.54
4-Trimethylammoniobutanoic acid	ME412618	1.58	1.12	1.10	0.55	0.65	0.55	0.61	1.82
6-Hydroxypseudooxynicotine	ME412622	0.73	1.27	1.44	0.66	0.50	0.84	0.70	1.87
Ciclesonide	ME412650	1.31	0.75	0.69	1.16	0.88	1.09	1.40	0.73
9(S)-HPODE	ME412623	0.22	4.22	0.25	1.22	0.39	0.41	0.64	0.66
CID 12910457	ME412651	0.95	0.96	0.97	0.89	1.14	0.91	1.14	1.04
Adenosine monophosphate	ME412627	0.23	0.18	6.21	0.20	0.26	0.13	0.46	0.33
Dibutyl malate	ME412669	0.37	5.34	0.18	0.49	0.47	0.38	0.33	0.44
5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid	ME412620	0.04	2.62	1.43	0.03	0.60	0.17	0.59	2.52
cis-5-Tetradecenoylcarnitine	ME412655	0.21	1.36	0.28	1.89	1.40	1.28	1.11	0.46
Clozapine N-oxide	ME412659	0.01	0.01	0.02	7.90	0.01	0.01	0.02	0.01
3-Oxotetradecanoic acid	ME412608	0.09	3.53	0.22	1.41	0.78	0.87	0.73	0.37
Acetylglycine	ME412626	1.17	0.75	0.69	0.85	1.26	0.81	1.17	1.30
Dihydroroseoside	ME412674	0.83	0.81	0.66	1.66	1.31	1.51	0.71	0.51
Acetyl tributyl citrate	ME412625	0.46	2.43	0.48	1.34	0.73	1.08	0.68	0.81
3-Hydroxytetradecanoyl carnitine	ME412605	0.25	2.92	0.15	2.66	0.37	1.06	0.42	0.17
D-Glucuronic acid	ME412667	1.26	0.06	0.08	1.49	1.17	0.85	2.24	0.85
Bilirubin	ME412641	1.11	0.25	0.36	1.21	1.62	1.32	1.22	0.92
Dibutyl phthalate	ME412670	1.31	0.50	0.09	1.20	1.85	1.17	1.73	0.15
Dihexyverine	ME412672	0.82	0.91	0.88	0.84	1.04	0.86	1.56	1.10
Ascorbic acid	ME412634	1.33	0.05	0.06	1.25	1.36	0.72	2.45	0.77
4-Guanidinobutanoic acid	ME412611	1.55	0.71	0.68	0.41	0.74	0.47	1.05	2.39
all-trans-Retinoic acid	ME412630	1.19	0.91	0.79	1.08	0.92	1.06	1.21	0.83
Anethole	ME412632	0.63	1.31	1.73	0.55	0.41	0.73	0.50	2.15

Factors:

F1	Phenotype 1:Cervical dislocation \| Phenotype 2:Non-drug related death \| Phenotype 3:Non-drug related death
F2	Phenotype 1:Drowning \| Phenotype 2:Non-drug related death \| Phenotype 3:Non-drug related death
F3	Phenotype 1:Hemorrhagic shock \| Phenotype 2:Non-drug related death \| Phenotype 3:Non-drug related death
F4	Phenotype 1:Lethal CLO poisoning \| Phenotype 2:PER, OLA, CLO lethal poisoning \| Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning
F5	Phenotype 1:Lethal CPZ poisoning \| Phenotype 2:Lethal CPZ poisoning \| Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning
F6	Phenotype 1:Lethal OLA poisoning \| Phenotype 2:PER, OLA, CLO lethal poisoning \| Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning
F7	Phenotype 1:Lethal PER poisoning \| Phenotype 2:PER, OLA, CLO lethal poisoning \| Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning
F8	Phenotype 1:Mechanical asphyxia \| Phenotype 2:Non-drug related death \| Phenotype 3:Non-drug related death

Data matrix