Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001781)

Reversed phase UNSPECIFIED ION MODE (Analysis AN002892)

Metabolite	Structure	F1	F2	F3	F4	F5
Promazine 5-sulfoxide	ME412483	0.22	0.58	0.14	3.92	0.14
Demonomethylchlorpromazine	ME412330	0.00	0.19	0.00	4.80	0.00
Chlorpromazine	ME412312	0.00	0.49	0.01	4.50	0.00
Promazine	ME412482	0.04	0.57	0.05	4.30	0.03
Inosinic acid	ME412393	0.08	0.08	4.63	0.09	0.12
Adenosine monophosphate	ME412286	0.06	0.13	3.63	0.55	0.62
11,12-Epoxyeicosatrienoic acid	ME412198	0.09	0.32	3.98	0.29	0.33
Eicosapentaenoic acid	ME412350	0.16	0.33	3.97	0.32	0.23
8-hydroxy-deoxyguanosine	ME412281	1.05	0.04	3.15	0.05	0.71
Guanine	ME412375	0.94	0.10	2.97	0.13	0.86
Arabinosylhypoxanthine	ME412294	0.62	0.02	2.96	0.21	1.20
Hypoxanthine	ME412387	0.62	0.03	2.52	0.22	1.61
6-Methoxyquinoline	ME412278	0.53	0.13	2.67	0.34	1.32
Serotonin	ME412499	0.53	0.13	2.64	0.34	1.36
Threonylphenylalanine	ME412516	0.27	0.49	1.83	1.43	0.98
4-Nitroaniline	ME412270	0.42	1.32	1.87	0.81	0.57
Spermine	ME412503	1.01	0.59	2.21	0.45	0.74
Glycocholic acid	ME412369	3.67	0.33	0.30	0.32	0.38
Retinyl beta-glucuronide	ME412493	3.14	0.43	0.34	0.54	0.56
Taurochenodeoxycholic acid	ME412510	3.33	0.31	0.25	0.35	0.77
Gibberellin A53	ME412361	2.67	0.27	1.02	0.22	0.81
3-Hydroxytetradecanedioic acid	ME412246	2.75	0.68	0.45	0.40	0.72
Oxybuprocaine	ME412462	2.49	0.34	0.46	0.61	1.10
Heptanoylcarnitine	ME412376	0.26	0.43	0.10	0.33	3.88
N-Acetylvanilalanine	ME412446	0.21	0.41	0.31	0.98	3.08
Adipic acid	ME412287	0.42	0.48	0.42	1.01	2.67
Xanthine	ME412544	0.42	0.21	0.76	1.09	2.52
Cannabidiolic acid	ME412310	0.07	3.99	0.06	0.81	0.07
3-Hydroxysebacic acid	ME412244	0.16	3.60	0.12	0.92	0.20
Dibutyl malate	ME412333	0.30	3.52	0.19	0.64	0.34
3-oxopalmitic acid	ME412255	0.16	2.50	0.24	1.74	0.35
Hexadecanedioic acid	ME412377	0.20	2.79	0.08	1.67	0.26
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate	ME412429	0.27	2.66	0.19	1.65	0.24
Valeroidine	ME412540	0.33	2.18	0.35	1.80	0.34
(R)-3-Hydroxy myristic acid	ME412189	0.21	2.25	0.32	1.78	0.44
trans-Hexadec-2-enoyl carnitine	ME412524	0.29	2.18	0.28	1.76	0.49
3-Hydroxyhexadecadienoylcarnitine	ME412242	0.27	2.31	0.24	1.88	0.31
Hexahomomethionine	ME412379	0.21	2.15	0.31	1.99	0.34
3-Hydroxyhexadecanoylcarnitine	ME412243	0.27	2.20	0.16	2.18	0.20
3-Hydroxytetradecanoyl carnitine	ME412247	0.20	2.43	0.11	2.12	0.14
3-Hydroxybutyric acid	ME412241	0.80	1.86	0.49	1.49	0.36
6-Oxo-pipecolinic acid	ME412279	0.64	2.12	0.48	1.39	0.37
3,4-Methyleneazelaic acid	ME412237	0.43	2.31	0.39	1.27	0.60
3-Hydroxysuberic acid	ME412245	0.48	2.16	0.28	1.42	0.66
cis-4-Decenedioic acid	ME412316	0.40	2.18	0.36	1.34	0.71
Lauroyl diethanolamide	ME412402	0.39	2.23	0.18	1.63	0.57
Tetradecanedioic acid	ME412512	0.31	2.34	0.21	1.59	0.55
12-Hydroxydodecanoic acid	ME412201	0.24	2.40	0.36	1.57	0.44
Guaifenesin	ME412374	0.39	2.40	0.32	1.44	0.45
Linoleyl carnitine	ME412410	0.30	2.30	0.33	1.49	0.58
(R)-3-Hydroxydecanoic acid	ME412191	0.47	1.92	0.49	1.42	0.71
(2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid	ME412186	0.34	2.13	0.58	1.44	0.50
Timonacic	ME412521	0.33	2.19	0.57	1.45	0.47
2,6-Di-tert-butyl-1,4-benzenediol	ME412216	0.63	2.36	0.63	0.81	0.58
Prohydrojasmon	ME412480	0.49	2.52	0.67	0.74	0.58
olivetolic acid	ME412457	0.32	2.70	0.53	1.14	0.31
Butopyronoxyl	ME412308	0.30	2.84	0.33	1.06	0.47
(S)-9-Hydroxy-10-undecenoic acid	ME412192	0.37	2.69	0.26	1.24	0.45
Traumatic acid	ME412525	0.39	2.69	0.28	0.94	0.70
Trepibutone	ME412527	0.62	2.52	0.32	0.85	0.69
19,20-DiHDPA	ME412205	0.38	2.47	0.31	1.17	0.67
N-Acetyl-L-tyrosine	ME412445	0.37	2.36	0.31	1.03	0.93
Avocadene 1-acetate	ME412298	0.56	2.89	0.36	0.82	0.38
cis-3-Hexenyl phenylacetate	ME412315	0.41	2.92	0.35	0.90	0.42
Alantolactone	ME412288	0.36	3.14	0.37	0.70	0.42
Leukotriene B4	ME412405	0.46	3.14	0.22	0.66	0.51
10(S)-HPODE	ME412196	0.26	3.23	0.15	0.99	0.37
Ubiquinone-2	ME412536	0.25	3.11	0.22	1.09	0.33
3-hydroxytridecanoic acid	ME412248	0.28	3.19	0.16	1.23	0.14
3-Oxotetradecanoic acid	ME412256	0.17	3.08	0.13	1.44	0.18
12-Hydroxystearic acid	ME412202	0.20	0.54	0.47	3.34	0.44
Dethiobiotin	ME412331	0.44	0.63	0.44	3.04	0.45
Hexanamide	ME412380	0.26	0.88	0.74	2.55	0.58
Pentahomomethionine	ME412468	0.27	1.30	0.20	2.64	0.59
5-Hydroxyindolepyruvate	ME412272	0.62	0.28	0.44	1.87	1.79
N1-Acetylspermidine	ME412436	0.47	0.54	0.48	2.62	0.89
Butabarbital	ME412307	0.25	0.64	0.39	2.60	1.12
Tetrahydrocortisol	ME412513	0.41	0.54	0.46	2.50	1.10
3-Methylglutarylcarnitine	ME412251	0.38	0.78	0.44	2.20	1.21
Gaboxadol	ME412358	0.56	0.65	0.60	2.18	1.01
Apronal	ME412293	0.48	0.60	0.80	2.04	1.09
Aspartyl-L-proline	ME412295	0.67	0.45	0.80	1.99	1.09
7-Mercaptoheptanoylthreonine	ME412280	1.35	0.94	1.37	0.67	0.66
(±)-Furaneol	ME412185	1.36	0.96	0.98	1.09	0.60
Tridecanoylglycine	ME412530	1.68	0.79	0.82	0.82	0.88
3-Hydroxybenzoic acid	ME412240	1.51	0.75	0.97	0.66	1.11
Butyl lactate	ME412309	1.44	0.74	1.14	0.72	0.95
Tetrahydrocortisone	ME412514	1.70	0.34	1.33	0.50	1.13
2,2^-Iminodipropanol	ME412213	1.41	0.46	1.39	0.54	1.20
Spermidine	ME412502	1.52	0.52	1.26	0.55	1.15
Baicalin	ME412301	1.46	0.60	0.98	0.56	1.40
Daidzein	ME412328	1.28	0.36	1.24	0.65	1.47
Nabilone	ME412439	1.35	1.08	0.21	0.57	1.79
Cholic acid	ME412313	1.61	0.99	0.20	0.52	1.67
o-Methoxyphenyl sulfate	ME412458	1.64	1.16	0.18	0.34	1.68
3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid	ME412235	1.86	0.83	0.48	0.53	1.30
Inulicin	ME412394	2.00	0.64	0.55	0.78	1.03
Ophthalmic acid	ME412459	1.99	0.35	0.65	0.81	1.20
11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol	ME412200	1.96	0.63	0.85	0.21	1.36
Propionylcarnitine	ME412484	1.68	0.49	0.69	0.24	1.90
Midodrine	ME412433	0.86	0.49	1.32	1.54	0.80
Serratanidine	ME412500	0.81	0.86	1.28	1.48	0.57
1-Methylhistamine	ME412208	0.44	0.40	1.42	1.38	1.36
Phenylhydrazine	ME412473	0.49	0.44	1.37	1.36	1.33
(+)-Calycanthine	ME412184	0.50	0.59	1.08	1.64	1.19
Lotaustralin	ME412416	0.25	1.01	1.05	1.51	1.18
Imidazoleacetic acid	ME412388	0.54	0.88	1.04	1.30	1.24
Leucylproline	ME412404	0.42	0.79	1.12	1.37	1.29
2-Deoxyhexopyranose	ME412220	0.67	0.88	0.83	1.84	0.78
Ly-290411	ME412422	0.70	0.75	0.85	1.91	0.80
N-Lauroylglycine	ME412450	0.73	1.02	0.53	1.86	0.87
Valproic acid glucuronide	ME412542	0.87	0.95	0.63	1.68	0.87
Allantoin	ME412290	0.45	1.01	0.86	1.54	1.15
Asymmetric dimethylarginine	ME412297	0.58	0.99	0.83	1.65	0.95
Gluconic acid	ME412363	0.34	1.11	0.66	1.96	0.92
Glycyl-Threonine	ME412373	0.53	1.05	0.58	1.80	1.04
Methohexital	ME412428	1.00	0.53	0.91	1.51	1.06
1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine	ME412207	0.86	1.06	0.87	1.34	0.86
Cytosine	ME412325	0.75	0.90	0.73	1.51	1.10
Glycerol	ME412366	0.74	0.93	0.69	1.48	1.17
5-Methylcytosine	ME412274	0.74	1.01	0.84	1.36	1.04
Homocitrulline	ME412384	0.80	0.90	0.87	1.40	1.03
N4-Acetylcytidine	ME412438	0.94	0.77	0.68	1.53	1.07
Cytidine	ME412324	0.81	0.85	0.56	1.44	1.34
Boc-Asn	ME412306	0.88	0.89	0.63	1.38	1.23
Glycylproline	ME412372	0.87	0.79	0.75	1.37	1.21
Secoisolariciresinol	ME412498	1.24	1.08	0.56	1.16	0.97
Tranexamic Acid	ME412522	1.54	0.88	0.37	1.11	1.10
4-(Trimethylammonio)butanoate	ME412259	0.86	1.12	0.97	0.55	1.50
4-Guanidinobutanoic acid	ME412261	0.91	0.84	0.91	0.65	1.69
Glutamylmethionine	ME412365	1.02	0.88	0.79	0.81	1.50
Sphinganine 1-phosphate	ME412505	0.84	0.98	0.67	0.85	1.65
Pantothenic acid	ME412465	1.21	0.56	0.77	0.86	1.61
Pyrogallol-2-O-glucuronide	ME412489	0.91	0.41	1.05	1.11	1.51
Tiglylglycine	ME412520	0.71	1.39	0.40	1.20	1.30
3-Methyladipic acid	ME412250	0.90	1.39	0.46	1.10	1.15
PD-128042	ME412466	0.95	1.29	0.34	1.15	1.27
2-Hydroxycaproic acid	ME412222	0.62	1.10	1.02	1.03	1.24
Galactitol	ME412359	0.54	1.19	1.01	0.95	1.32
L-Histidine	ME412408	0.82	1.09	0.75	1.27	1.07
1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine	ME412194	0.73	1.12	0.85	1.21	1.10
13-HODE	ME412203	0.68	1.21	0.79	1.23	1.09
Isotetrandrine	ME412396	0.62	1.09	0.91	1.18	1.20
Indole-3-acetic acid	ME412390	0.73	1.07	0.84	1.04	1.32
235BBF3K97	ME412218	0.73	0.95	0.87	1.22	1.24
Diacetyl	ME412332	0.73	0.97	0.88	1.13	1.29
Bardoxolone	ME412302	0.72	1.53	0.71	0.79	1.25
Traumatin	ME412526	0.86	1.51	0.62	0.83	1.17
4-Hydroxybenzenesulfonic acid	ME412263	0.69	1.56	0.62	1.07	1.05
(R)-3-hydroxybutyrylcarnitine	ME412190	0.74	1.59	0.54	1.00	1.13
Tridecanedioic acid	ME412529	0.79	1.39	0.80	1.06	0.96
Niacinamide	ME412449	0.67	1.38	0.84	1.06	1.06
Acetaminophen	ME412284	0.65	1.35	0.81	1.15	1.05
L-Prolinamide	ME412418	0.72	1.37	0.77	1.11	1.04
Lysine	ME412423	0.68	1.40	0.78	1.11	1.03
2-Methylcitric acid	ME412227	0.57	1.46	0.69	1.11	1.17
Threonic acid	ME412515	0.62	1.51	0.75	1.10	1.03
Betaine	ME412305	0.94	1.36	0.83	0.95	0.92
L-Norleucine	ME412415	0.91	1.43	0.67	0.97	1.02
Phenylacetylglycine	ME412471	0.97	1.38	0.70	0.83	1.11
Lexibulin	ME412407	1.01	1.16	0.86	0.91	1.07
LysoPC(16:1(9Z)/0:0)	ME412424	1.03	1.20	0.75	0.86	1.16
L-Valine	ME412421	0.81	1.27	0.83	0.99	1.10
2-Hydroxycinnamic acid	ME412223	0.92	1.20	0.79	0.97	1.12
DL-TYROSINE	ME412339	0.92	1.20	0.79	0.96	1.13
2,4,6-Octatriyn-1-ol	ME412214	0.85	1.25	0.80	0.99	1.12
Benzoic acid	ME412304	0.88	1.23	0.80	0.97	1.12
Acetophenone	ME412285	0.87	1.16	0.76	0.97	1.24
Coumarin	ME412319	0.80	1.24	0.77	1.00	1.20
Kynurenine	ME412399	0.79	1.18	0.91	1.01	1.11
2-Methylthiazolidine	ME412228	0.77	1.23	0.90	0.88	1.21
3-Methylsulfolene	ME412253	0.83	1.21	0.87	0.91	1.19
L-Methionine	ME412414	0.83	1.21	0.87	0.91	1.18
Platelet-activating factor	ME412478	0.93	1.07	0.80	1.10	1.09
3-(4-Methyl-3-pentenyl)thiophene	ME412232	0.91	1.19	0.74	1.06	1.10
Phenylalanine	ME412472	0.92	1.18	0.74	1.08	1.08
Benzaldehyde	ME412303	0.85	1.31	0.71	1.06	1.07
Vigabatrin	ME412543	0.78	1.23	0.73	1.11	1.15
L-Threonine	ME412420	0.81	1.24	1.03	0.98	0.93
Bafetinib	ME412300	0.85	1.08	1.03	0.92	1.13
N2-Acetylornithine	ME412437	0.81	1.11	0.99	0.99	1.09
2-Ketobutyric acid	ME412225	0.76	1.06	1.03	1.12	1.03
3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile	ME412257	0.80	1.04	1.10	1.10	0.96
Purine	ME412486	0.85	1.08	1.04	1.08	0.94
D-Mannose	ME412341	0.72	1.07	1.20	1.02	0.99
DL-Arginine	ME412335	0.80	1.10	1.16	0.94	0.99
methadone-d9	ME412426	0.84	1.03	1.16	1.00	0.97
Trifluoroacetic acid	ME412532	0.86	1.05	1.09	1.01	1.00
2-Hydroxyvaleric acid	ME412224	0.62	1.00	1.30	1.08	1.00
Creatinine	ME412321	0.61	0.80	1.27	1.32	1.00
N-methyl-L-glutamic Acid	ME412451	0.76	0.93	1.13	1.20	0.99
Creatine	ME412320	0.71	0.87	1.24	1.19	1.00
D-1,5-Anhydrofructose	ME412326	0.67	0.86	1.22	1.21	1.04
4-Aminobenzoic acid	ME412260	0.63	1.02	0.95	1.44	0.96
Furfural	ME412357	0.66	0.98	1.03	1.34	0.99
Trimethadione	ME412533	0.68	0.90	1.13	1.31	0.98
4-Methylene-2-oxoglutarate	ME412268	0.93	0.87	1.02	1.26	0.92
Olanzapine	ME412456	0.80	0.92	1.00	1.20	1.07
Levocarnitine	ME412406	0.88	1.17	1.10	0.69	1.16
1-Arachidonoyl-sn-glycero-3-phosphocholine	ME412206	1.00	1.35	0.81	0.67	1.17
3-Mercaptohexyl butyrate	ME412249	1.08	1.08	0.86	0.71	1.28
Hydroxyacetylaminofluorene	ME412386	1.18	1.00	0.87	0.66	1.30
2-Oleoyl-sn-glycero-3-phosphocholine	ME412230	1.18	1.10	0.88	0.74	1.10
L-Acetylcarnitine	ME412183	1.09	1.24	0.96	0.64	1.07
Leucyl-Glutamate	ME412403	0.86	0.94	0.95	0.97	1.29
Phe-glu	ME412469	0.97	0.78	0.98	1.01	1.26
tyr-glu	ME412535	0.90	0.75	1.09	0.98	1.28
val-glu	ME412541	0.91	0.84	1.05	0.97	1.23
(Hydroxyethyl)methacrylate	ME412188	0.90	0.77	1.29	0.88	1.17
Phytosphingosine	ME412475	1.00	0.89	1.11	0.82	1.19
D-Tryptophan	ME412347	1.08	0.83	1.15	0.69	1.24
Indole-3-acrylic acid	ME412391	1.08	0.83	1.15	0.69	1.24
Indole	ME412389	1.05	0.86	1.19	0.67	1.24
2-Aminonaphthalene	ME412219	1.03	0.82	1.21	0.70	1.25
3-Methylindole	ME412252	1.04	0.83	1.19	0.71	1.24
L-Serine	ME412419	0.86	1.05	0.62	1.09	1.37
Pyroglutamic acid	ME412491	0.96	0.98	0.58	1.16	1.31
DL-Glutamine	ME412337	0.96	1.00	0.66	1.11	1.27
Ribothymidine	ME412494	0.90	0.96	0.69	1.12	1.33
D-Proline	ME412345	1.08	0.93	0.91	0.88	1.19
DL-Glutamate	ME412336	1.07	0.97	0.72	1.00	1.24
gamma-Glu-gln	ME412360	1.00	0.94	0.70	1.02	1.33
Proline	ME412481	1.01	0.92	0.84	0.98	1.25
Thymopentin	ME412518	1.06	0.86	0.80	1.08	1.20
Sphinganine	ME412504	1.09	0.79	1.17	1.01	0.95
Citrinin	ME412318	1.15	0.98	0.91	0.98	0.97
DL-Ornithine	ME412338	1.21	0.99	0.88	0.92	1.01
Linolenelaidic acid	ME412409	1.09	1.11	0.88	0.96	0.97
Triethyl citrate	ME412531	1.12	1.03	0.82	0.99	1.04
1,5-Anhydrosorbitol	ME412195	0.97	0.97	0.92	1.01	1.13
Glu-Gly	ME412364	0.96	1.02	0.85	0.97	1.19
1-Octadecanoyl-sn-glycero-3-phosphoethanolamine	ME412209	0.98	0.99	0.96	1.04	1.03
Equol	ME412351	0.99	1.00	0.92	1.08	1.01
N-Gluconyl ethanolamine	ME412448	1.06	0.96	0.89	1.03	1.05
4^-N-desmethylolanzapine	ME412269	1.01	1.00	0.86	1.04	1.08
Ethyl glucuronide	ME412353	1.01	1.01	0.87	1.07	1.05
11-Aminoundecanoic acid	ME412199	1.06	1.01	0.93	1.04	0.96
Pipazethate	ME412476	1.03	0.99	1.03	1.01	0.94
N-Undecanoylglycine	ME412454	1.33	0.90	0.92	0.88	0.97
Triacetin	ME412528	1.17	0.94	1.06	0.80	1.03
Salbutamol	ME412497	0.60	1.59	0.98	1.07	0.76
1-Phenyl-1-pentanone	ME412210	0.68	1.49	1.16	0.86	0.81
Ethyl 4-ethoxybenzoate	ME412352	0.55	1.42	1.10	0.97	0.96
Juliflorine	ME412398	0.71	0.96	1.52	0.91	0.89
5-Hydroxy-L-tryptophan	ME412273	0.72	1.30	1.37	0.68	0.92
Glycerophosphocholine	ME412368	0.78	1.22	1.54	0.66	0.80
Ferulic acid 4-O-sulfate	ME412354	0.54	0.86	0.51	0.53	2.57
Hexanoylcarnitine	ME412381	0.74	0.72	0.28	0.46	2.80
Ectoine	ME412349	0.38	1.42	0.41	0.43	2.36
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid	ME412212	0.62	1.07	0.50	0.63	2.19
Hippuric acid	ME412383	0.50	1.19	0.61	0.57	2.13
Pyridoxal 5^-phosphate	ME412487	0.43	1.01	0.29	1.05	2.22
2-((4-Nitrophenoxy)methyl)oxirane	ME412211	0.51	0.93	0.47	0.94	2.16
3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl	ME412233	0.53	0.91	0.62	0.88	2.06
Alanylglutamine	ME412289	0.52	0.89	0.64	0.85	2.11
D-Phenyllactic acid	ME412344	0.45	0.90	0.97	0.95	1.73
4-Indolecarbaldehyde	ME412266	0.43	0.83	1.01	1.12	1.61
Mevalonic acid	ME412431	0.33	0.82	1.01	1.19	1.65
5-Sulfosalicylic acid	ME412275	0.58	0.90	1.13	0.81	1.58
4-Hydroxy-5-(3^,4^-dihydroxyphenyl)-valeric acid-O-glucuronide	ME412262	0.27	1.10	1.05	0.80	1.78
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole	ME412435	0.36	1.07	1.01	0.78	1.78
4-Hydroxycinnamic acid	ME412264	0.31	1.03	1.10	0.78	1.77
Homovanillic acid	ME412385	0.33	1.02	1.06	0.79	1.79
6-Hydroxyindoleacetic acid	ME412276	0.22	1.57	0.31	1.16	1.74
L-Leucine	ME412413	0.49	1.35	0.52	1.05	1.58
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid	ME412221	0.34	1.29	0.48	1.21	1.68
Citric acid	ME412317	0.38	1.25	0.56	1.23	1.58
Amidosulfonic acid	ME412291	0.30	1.35	0.84	0.95	1.56
Cycloserine	ME412323	0.30	1.32	0.80	1.04	1.54
DEHYDROASCORBIC ACID	ME412329	0.39	1.35	0.60	1.18	1.48
2,5-Furandicarboxylic acid	ME412215	0.29	1.44	0.68	1.13	1.46
5-Hydroxy-2-furoic acid	ME412271	0.30	1.42	0.76	1.15	1.37
4-methoxy-3-(sulfooxy)benzoic acid	ME412267	0.42	1.20	0.49	0.89	2.01
Tryptophol	ME412534	0.38	1.38	0.63	0.81	1.80
3,4-Dihydroxybenzenesulfonic acid	ME412236	0.62	1.23	0.59	0.89	1.68
N-Acetyl-L-aspartic acid	ME412441	0.54	1.21	0.54	1.00	1.72
Cinnamoylglycine	ME412314	0.42	1.16	0.59	1.01	1.82
Phenobarbital	ME412470	0.46	1.29	0.47	0.99	1.80
Sphingosine 1-phosphate	ME412506	0.78	1.28	0.61	0.90	1.43
9-Decenoylcarnitine	ME412283	0.52	1.28	0.76	0.87	1.57
THREO-SPHINGOSINE, (-)-	ME412517	0.59	1.48	0.69	0.73	1.51
Oxoglutaric acid	ME412461	0.88	0.29	0.66	1.04	2.13
Fumaric acid	ME412355	0.69	0.56	0.49	1.09	2.17
D-2-Hydroxyglutaric acid	ME412327	0.67	0.55	0.81	1.05	1.91
N-Acetyl-L-glutamic acid	ME412442	0.71	0.56	0.74	1.03	1.96
Glycyl-L-leucine	ME412370	0.53	0.90	0.67	1.45	1.44
Porphobilinogen	ME412479	0.45	1.02	0.59	1.46	1.48
Aspartylphenylalanine	ME412296	0.34	0.84	0.51	1.56	1.77
Pivagabine	ME412477	0.48	0.96	0.40	1.55	1.62
Tetraacetylethylenediamine	ME412511	0.48	0.90	0.51	1.49	1.62
Xanthurenic acid	ME412545	0.64	0.66	0.85	1.17	1.67
L-Asparagine	ME412401	0.59	0.72	0.61	1.41	1.66
Sakacin P	ME412496	0.62	0.77	0.72	1.34	1.55
L-Alanine	ME412400	0.80	0.94	0.60	1.06	1.60
Oxidized glutathione	ME412460	0.83	0.95	0.52	1.14	1.56
Glycerol 3-phosphate	ME412367	0.77	0.88	0.67	1.23	1.46
Metharbital	ME412427	0.73	0.80	0.71	1.18	1.58
Indolelactic acid	ME412392	0.47	0.88	0.68	1.25	1.73
Rizatriptan	ME412495	0.55	0.99	0.62	1.06	1.77
L-Lactic acid	ME412412	0.67	0.94	0.71	1.04	1.63
N-Acetyl-L-methionine	ME412443	0.57	0.93	0.71	1.14	1.65
Uracil	ME412537	0.66	0.83	0.22	1.47	1.81
N-Acetyl-L-phenylalanine	ME412444	0.64	1.05	0.33	1.01	1.97
Isobutyrylglycine	ME412395	0.64	0.97	0.18	1.23	1.99
Uric acid	ME412538	0.59	0.99	0.41	1.16	1.86
Isovalerylglycine	ME412397	0.76	0.86	0.30	1.23	1.84
Uridine	ME412539	0.71	0.98	0.31	1.21	1.79
Succinic acid	ME412508	0.44	0.66	0.09	1.63	2.18
D-Malic acid	ME412340	0.47	0.63	0.42	1.43	2.05
Pyruvic acid	ME412492	0.55	0.76	0.35	1.30	2.04
Malic acid	ME412425	0.48	0.70	0.26	1.27	2.28
Methylsuccinic acid	ME412430	0.62	0.62	0.17	1.38	2.22
15-HETE	ME412204	0.18	1.41	1.53	1.52	0.37
Docosahexaenoic acid	ME412342	0.29	1.26	1.06	1.76	0.63
Furcatin	ME412356	0.49	1.30	1.01	1.37	0.83
Hexadecanedioic acid mono-L-carnitine ester	ME412378	0.38	1.85	0.23	2.08	0.46
Myristic acid	ME412434	0.43	1.62	0.27	2.40	0.29
Pentadecanoylcarnitine	ME412467	0.44	1.57	0.28	2.29	0.43
Cyclohexanecarboxylic acid	ME412322	0.54	2.00	0.33	1.61	0.53
L-Palmitoylcarnitine	ME412417	0.44	1.87	0.34	1.81	0.54
Ginkgoic acid	ME412362	0.25	1.57	0.51	1.98	0.69
O-heptadecanoylcarnitine	ME412455	0.57	1.59	0.43	1.92	0.49
Palmitic acid	ME412464	0.47	1.69	0.44	1.81	0.58
Cerulenin	ME412311	0.66	1.54	0.06	1.92	0.83
trans-2-Dodecenoylcarnitine	ME412523	0.70	1.17	0.37	2.14	0.62
Glycyl-Lysine	ME412371	0.44	1.22	0.37	2.17	0.80
Pyrogallol-2-O-sulphate	ME412490	0.49	1.14	0.43	2.20	0.73
2,7-Oxepanedione	ME412217	0.90	1.30	0.61	1.46	0.74
Pyrogallol	ME412488	0.93	1.34	0.68	1.46	0.59
L-Isoleucine	ME412411	1.04	1.46	0.65	1.06	0.80
N-Formyl-L-methionine	ME412447	0.79	1.59	0.78	1.18	0.66
Dibutyl phthalate	ME412334	0.62	1.05	0.37	1.67	1.29
6-Hydroxypentadecanedioic acid	ME412277	0.22	1.39	0.30	1.72	1.37
N-Acetylglutamine	ME412440	0.40	1.42	0.38	1.48	1.32
Phosphoric acid	ME412474	0.58	1.35	0.35	1.51	1.20
4-Hydroxynonenal	ME412265	0.39	1.66	0.39	1.57	0.98
Palmitelaidic acid	ME412463	0.36	1.38	0.58	1.77	0.90
Aminoadipic acid	ME412292	0.49	1.47	0.44	1.65	0.95
Ecgonine	ME412348	0.47	1.49	0.45	1.74	0.85
3, 5-Tetradecadiencarnitine	ME412234	0.58	1.32	0.56	1.86	0.68
2-tert-Butyl-1,4-benzenediol	ME412231	0.54	1.49	0.66	1.64	0.67
3-Tert-Butyladipic acid	ME412258	0.62	1.63	0.59	1.54	0.62
N-Methylmescaline	ME412452	0.45	1.77	0.61	1.33	0.85
Propylparaben	ME412485	0.58	1.73	0.59	1.30	0.81
Tiglylcarnitine	ME412519	0.41	1.69	0.73	1.19	0.97
2-Methyl-5-nitroaniline	ME412226	0.47	1.64	0.55	1.28	1.06
3-Aminosalicylic acid	ME412238	0.42	1.64	0.57	1.35	1.02
N-Stearoyl tyrosine	ME412453	0.43	1.62	0.57	1.33	1.05
3-Dehydroquinic acid	ME412239	0.59	1.30	0.54	1.55	1.02
Hexanoylglycine	ME412382	0.61	1.27	0.54	1.46	1.12
2-Octanamidoacetic acid	ME412229	0.67	1.47	0.56	1.40	0.90
(9S,10S)-9,10-dihydroxyoctadecanoate	ME412187	0.61	1.36	0.71	1.40	0.92
[6]-Gingerdione	ME412193	1.26	1.71	0.40	0.91	0.72
10-HDA	ME412197	1.30	1.73	0.64	0.64	0.70
Azelaic acid	ME412299	1.21	1.57	0.67	0.66	0.90
Dodecanedioic acid	ME412343	0.39	1.94	0.23	1.07	1.36
Drostanolone propionate	ME412346	0.83	1.85	0.28	1.06	0.97
MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0)	ME412432	0.89	1.80	0.23	1.07	1.00
3-oxo-C12-HSL	ME412254	0.57	2.02	0.46	1.15	0.79
Suberic acid	ME412507	0.76	1.97	0.43	1.10	0.73
8-Hydroxyoctanoate	ME412282	0.78	1.79	0.59	0.85	1.00
Taurine	ME412509	0.59	1.95	0.68	0.94	0.84
Sorbitan laurate	ME412501	0.53	2.83	0.13	0.51	1.00
xi-8-Hydroxyhexadecanedioic acid	ME412546	1.04	2.22	0.21	0.44	1.10

Factors:

F1	Phenotype 1:Cervical dislocation \| Phenotype 2:Non-drug related death
F2	Phenotype 1:Drowning \| Phenotype 2:Non-drug related death
F3	Phenotype 1:Hemorrhagic shock \| Phenotype 2:Non-drug related death
F4	Phenotype 1:Lethal chlorpromazine poisoning \| Phenotype 2:Lethal chlorpromazine poisoning
F5	Phenotype 1:Mechanical asphyxia \| Phenotype 2:Non-drug related death

Data matrix