Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004189)

(Analysis AN007233)

Metabolite	Structure	F1	F2	F3
Salicyluric acid	ME1189610	0.76	0.08	2.15
Hesperetin	ME1189740	0.55	2.47	0.18
Hydroxybutyrylcarnitine(AcCa(4:0-OH)	ME1189683	0.27	2.35	0.63
Pantothenol	ME1189623	0.16	2.44	0.69
Leu-Leu	ME1189672	0.35	2.50	0.40
Ile-Leu	ME1189670	0.41	2.33	0.49
Ile-Phe	ME1189710	0.33	2.40	0.51
M1X-RT114MZ180	ME1189590	0.78	2.03	0.31
Sphingosine	ME1189735	0.70	2.09	0.35
Leu-Phe	ME1189711	0.54	1.99	0.65
Thiamine	ME1189700	0.60	2.05	0.51
N^-Formylkynurenine	ME1189656	0.44	2.19	0.57
Ser-Leu	ME1189632	0.40	2.23	0.59
Pregnanediol	ME1189723	0.36	2.07	0.79
L-Kynurenine	ME1189625	0.44	2.06	0.71
Val-Leu	ME1189653	0.45	2.04	0.70
Methylglutarylcarnitine(AcCa(iso6:0-DC)	ME1189729	0.45	1.87	0.87
Octanoylcarnitine(AcCa(8:0)	ME1189727	0.46	1.90	0.82
Propionylcarnitine(AcCa(3:0)	ME1189631	0.46	1.78	0.94
L-Acetylcarnitine	ME1189620	0.43	1.77	0.99
Tetradecaethylene glycol(PEG-14)	ME1189788	0.45	1.77	0.97
M1X-RT337MZ595	ME1189787	0.42	1.86	0.92
N-Hexosyl Phenylalanine	ME1189759	0.40	1.83	0.97
N(6)-Methyllysine	ME1189569	0.66	1.73	0.74
N-Acetylcadaverine	ME1189547	0.65	1.79	0.70
Trp-Leu	ME1189755	0.61	1.85	0.68
3-Hydroxykynurenine	ME1189639	0.56	1.84	0.76
Genistein	ME1189704	0.56	1.83	0.77
Gly-Leu	ME1189598	0.53	1.91	0.72
Spermine	ME1189619	0.55	1.87	0.75
Valerylcarnitine(AcCa(5:0)	ME1189674	0.55	1.88	0.73
Metformine	ME1189534	1.86	0.59	0.32
N-Acetylhistamine	ME1189561	1.82	0.69	0.28
Undecanoylcarnitine(AcCa(11:0)	ME1189761	1.31	1.13	0.50
M1X-RT236MZ281	ME1189717	1.65	0.92	0.28
Creatine	ME1189536	1.44	0.90	0.55
Decadienoylcarnitine(AcCa(10:2)	ME1189749	1.44	0.81	0.64
M1X-RT64MZ202	ME1189616	1.40	0.85	0.65
Nonanoylcarnitine(AcCa(9:0)	ME1189738	1.59	0.69	0.56
Octanoylcarnitine(AcCa(8:0) isomer1	ME1189725	1.51	0.74	0.61
Octanoylcarnitine(AcCa(8:0) isomer2	ME1189726	1.66	0.73	0.43
Cotinine	ME1189587	1.54	0.89	0.43
Decanoylcarnitine(AcCa(10:0) isomers	ME1189751	1.55	0.84	0.48
Deoxyadenosine	ME1189689	1.58	0.81	0.46
M1X-RT233MZ252	ME1189688	1.72	0.48	0.60
M1X-RT455MZ318	ME1189756	1.66	0.57	0.59
Theophylline	ME1189594	1.85	0.36	0.56
M1X-RT226MZ252	ME1189687	1.83	0.43	0.50
Trigonelline	ME1189542	1.79	0.47	0.52
2-oxindole-3-acetic acid	ME1189603	1.50	0.45	0.90
M2X-RT231MZ146	ME1189548	1.51	0.44	0.90
N-Acetylproline	ME1189562	1.55	0.49	0.80
Phenylacetylglycine	ME1189607	1.54	0.46	0.85
Theobromine	ME1189593	1.72	0.26	0.81
M1X-RT284MZ247	ME1189676	1.71	0.35	0.73
M1X-RT164MZ148	ME1189553	1.64	0.40	0.77
M1X-RT230MZ231	ME1189652	1.64	0.42	0.75
Cinnamoylglycine	ME1189622	1.67	0.33	0.80
M1X-RT222MZ231	ME1189651	1.66	0.36	0.78
M1X-RT433MZ303	ME1189742	2.25	0.16	0.24
Biotin	ME1189668	1.95	0.35	0.43
Caffeine	ME1189608	2.02	0.28	0.42
1-Methoxyindole-3-carboxylic acid	ME1189604	2.03	0.08	0.59
M1X-RT166MZ175	ME1189582	1.97	0.17	0.58
M1X-RT166MZ237	ME1189659	1.93	0.20	0.60
M1X-RT300MZ281	ME1189718	1.94	0.23	0.56
Nicotine	ME1189572	1.33	1.44	0.18
Coproporphyrin I	ME1189789	0.38	1.43	1.36
Pyridoxolactone	ME1189575	0.34	1.44	1.40
4-Trimethylammoniobutanoic acid	ME1189550	0.32	1.64	1.24
L-Carnitine	ME1189571	0.35	1.66	1.18
Indole-3-propionic acid	ME1189601	0.61	1.00	1.48
Phe-Ile	ME1189709	0.61	1.00	1.48
Fluvoxamine	ME1189758	0.49	1.14	1.49
M1X-RT426MZ591	ME1189785	0.46	1.19	1.49
3-Aminobutanoic acid	ME1189522	0.82	0.91	1.30
N,N,N-trimethyl-5-aminovaleric acid	ME1189565	0.74	0.96	1.36
Tetradecanoylcarnitine(AcCa(14:0)	ME1189773	0.75	0.93	1.37
Hydroxyhexanoylcarnitine(AcCa(6:0-OH)	ME1189707	0.76	1.18	1.13
Valine+Betaine	ME1189526	0.66	1.16	1.27
Adipoylcarnitine(AcCa(6:0-DC)	ME1189730	0.58	1.38	1.16
Glu-Trp	ME1189762	0.51	1.50	1.14
M1X-RT337MZ591	ME1189784	0.54	1.49	1.11
gamma-Glu-Tyr	ME1189748	0.58	1.51	1.04
M1X-RT337MZ593	ME1189786	0.59	1.45	1.08
L-Lysine	ME1189552	0.54	1.71	0.90
Tetradecenoylcarnitine(AcCa(14:1)	ME1189771	0.56	1.66	0.92
Decanoylcarnitine(AcCa(10:0)	ME1189752	0.56	1.63	0.96
gamma-Glu-Leu	ME1189696	0.58	1.61	0.95
Ile-Trp	ME1189754	0.74	1.55	0.81
Trp-Ile	ME1189753	0.72	1.56	0.82
Hexadecadienoylcarnitine(AcCa(16:2)	ME1189777	0.69	1.49	0.92
Hexanoylcarnitine(AcCa(6:0)	ME1189694	0.70	1.51	0.89
Gly-Phe	ME1189637	0.65	1.62	0.85
Dodecenoylcarnitine(AcCa(12:1)	ME1189763	0.65	1.57	0.91
Butenylcarnitine isomer(AcCa(4:1)	ME1189649	0.66	1.58	0.88
Tetradecadiencarnitine(AcCa(14:2)	ME1189770	0.65	1.59	0.88
4-Hydroxyhippuric acid	ME1189609	1.07	1.36	0.58
5-Methyltetrahydrofolic acid	ME1189780	0.98	1.47	0.58
Tetradecadiencarnitine(AcCa(14:2) isomer 1	ME1189769	1.01	1.41	0.60
M1X-RT136MZ160	ME1189564	0.87	1.52	0.68
Pro-Trp	ME1189736	0.84	1.58	0.66
2-Piperidinone	ME1189521	0.87	1.45	0.74
Butenylcarnitine(AcCa(4:1)	ME1189648	0.85	1.42	0.80
Dimethyllysine	ME1189583	0.85	1.43	0.78
2,6-Dihydroxyquinoline	ME1189570	0.82	1.46	0.79
Riboflavin	ME1189774	0.81	1.45	0.81
Dodecaethylene glycol(PEG-12)	ME1189783	0.67	1.41	1.03
N1-Acetylspermidine	ME1189596	0.70	1.44	0.96
Choline	ME1189523	0.70	1.32	1.07
Malonylcarnitine	ME1189682	0.78	1.29	1.00
3-Hydroxyanthranilic acid	ME1189560	0.77	1.34	0.97
M1X-RT180MZ295	ME1189733	0.77	1.37	0.94
gamma-Glu-Val	ME1189677	0.88	1.24	0.92
Phe-Glu	ME1189731	0.83	1.32	0.92
M1X-RT248MZ179	ME1189588	0.85	1.27	0.93
Heptaethylene Glycol(PEG-7)	ME1189764	0.84	1.28	0.94
Tryptophan betaine	ME1189681	0.84	1.27	0.95
M1X-RT155MZ281	ME1189713	0.90	1.27	0.86
1-Methylhistamine	ME1189531	0.90	1.28	0.87
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	ME1189621	0.90	1.28	0.86
1-Methyladenine	ME1189556	0.86	1.35	0.84
L-Isoleucine	ME1189537	0.85	1.34	0.87
L-Leucine	ME1189538	0.85	1.34	0.87
Leu-Pro	ME1189647	0.83	1.34	0.89
Tridecanoylcarnitine(AcCa(13:0)	ME1189766	0.83	1.35	0.89
M1X-RT166MZ208	ME1189624	1.00	1.27	0.75
Leu-Ile	ME1189671	0.94	1.31	0.78
Dodecanoylcarnitine(AcCa(12:0)	ME1189765	0.90	1.34	0.80
Spermidine	ME1189551	0.92	1.34	0.78
M1X-RT525MZ370	ME1189772	0.84	0.64	1.53
M1X-RT250MZ229	ME1189643	1.17	0.37	1.37
5^-Deoxyadenosine	ME1189690	0.99	0.70	1.29
N6-Methyladenosine	ME1189720	1.03	0.64	1.30
M1X-RT201MZ234	ME1189655	1.10	0.52	1.33
Carnosine	ME1189641	1.11	0.66	1.19
M1X-RT96MZ290	ME1189728	1.17	0.55	1.21
2-Octenoylcarnitine(AcCa(8:1)	ME1189724	0.93	1.02	1.07
Pipecolic acid	ME1189533	0.87	1.05	1.12
M1X-RT343MZ200	ME1189615	0.88	1.07	1.08
S-(2-carboxypropyl)-Cysteamine	ME1189574	0.89	1.07	1.07
N,N,N-Trimethyl-alanyl-proline betaine	ME1189645	0.85	1.18	1.02
N-Phenylacetylglutamic acid	ME1189701	0.85	1.19	1.01
Coproporphyrin III	ME1189790	0.86	1.23	0.96
Cortisol	ME1189768	0.84	1.22	0.99
Decaethylene Glycol(PEG-10)	ME1189782	0.85	1.22	0.98
Asp-Pro	ME1189650	0.88	1.13	1.02
Gly-Pro	ME1189579	0.89	1.11	1.03
M1X-RT240MZ238	ME1189662	0.90	1.16	0.98
M1X-RT283MZ197	ME1189611	0.92	1.14	0.96
5-Hydroxyindoleacetaldehyde	ME1189584	1.09	1.08	0.82
4-Guanidinobutanoic acid	ME1189549	1.08	1.04	0.86
M1X-RT160MZ238	ME1189661	1.08	1.04	0.86
Ile-Pro	ME1189646	1.05	1.09	0.86
5-Methylcytosine	ME1189530	1.03	1.09	0.88
Biopterin	ME1189660	1.01	1.11	0.88
Adenosine	ME1189703	1.04	1.05	0.90
Succinyladenosine	ME1189775	1.03	1.06	0.91
Glutarylcarnitine(AcCa(5:0-DC) isomer	ME1189705	1.06	1.03	0.91
M1X-RT86MZ180	ME1189589	1.03	1.04	0.93
M1X-RT164MZ180	ME1189591	1.03	1.02	0.94
N2-Methylguanine	ME1189576	1.04	1.02	0.92
Phenyllactic acid	ME1189577	1.02	0.99	0.99
Urea	ME1189528	1.01	1.00	0.99
M1X-RT214MZ130	ME1189532	1.01	0.97	1.02
Linoleamide	ME1189712	1.00	0.99	1.01
Octadecanamide	ME1189722	1.00	0.98	1.01
M1X-RT410MZ193	ME1189606	1.02	0.94	1.02
Palmitic amide	ME1189691	1.03	0.97	0.99
M1X-RT211MZ247	ME1189675	1.04	0.95	1.00
Oleamide	ME1189721	1.04	0.96	0.99
Stearoylethanolamide	ME1189760	1.01	1.02	0.97
Pro-Hyp	ME1189644	1.00	1.04	0.97
N-Methylhydantoin	ME1189524	1.01	1.04	0.95
Pro-Pro	ME1189628	1.01	1.04	0.95
Decatrienoylcarnitine(AcCa(10:3)	ME1189747	0.96	1.04	1.01
Phe-Gly	ME1189636	0.98	1.02	1.00
Pimelylcarnitine(AcCa(7:0-DC)	ME1189744	0.98	1.03	0.99
Uridine+Pseudouridine	ME1189667	0.98	1.03	0.99
1-Methylinosine	ME1189558	0.99	1.03	0.98
ADMA+SDMA	ME1189618	0.98	1.04	0.98
2-Pyrrolidinone	ME1189793	0.99	1.07	0.94
Hydroxyisovaleroyl carnitine(AcCa(5:0-OH)	ME1189699	1.00	1.07	0.93
Phytosphingosine	ME1189757	0.95	1.10	0.97
M1X-RT272MZ200	ME1189612	0.97	1.08	0.97
N-Acetylputrescine	ME1189535	0.97	1.07	0.96
M1X-RT143MZ221	ME1189635	1.12	1.13	0.73
1-Methylhistidine	ME1189578	1.05	1.17	0.78
3-Methoxytyrosine	ME1189626	1.07	1.13	0.79
Niacinamide	ME1189529	1.00	1.19	0.83
M1X-RT214MZ161	ME1189568	1.00	1.19	0.81
Isovalerylcarnitine(AcCa(iso5:0)	ME1189673	0.99	1.20	0.82
L-Methionine	ME1189555	1.00	1.21	0.81
gamma-Glu-Ile	ME1189695	1.00	1.17	0.84
Tryptamine	ME1189545	1.02	1.16	0.83
M1X-RT265MZ238	ME1189663	1.00	1.14	0.87
1-Methylnicotinamide	ME1189541	0.97	1.19	0.87
L-Asparagine	ME1189539	0.98	1.17	0.86
Decenoylcarnitine(AcCa(10:1)	ME1189750	0.92	1.22	0.89
N-Acetyl-L-methionine	ME1189605	0.94	1.19	0.90
Tetrahydrobiopterin	ME1189665	0.95	1.18	0.89
N6-Acetyl-L-lysine	ME1189597	0.95	1.12	0.95
Butyrylcarnitine(AcCa(4:0)	ME1189654	0.94	1.14	0.94
N-Acetylisoleucine	ME1189581	0.96	1.14	0.93
N6,N6,N6-Trimethyl-L-lysine	ME1189600	0.97	1.15	0.90
N-(3-acetamidopropyl)pyrrolidin-2-one	ME1189595	0.97	1.11	0.93
M1X-RT86MZ221	ME1189634	0.99	1.11	0.91
Octaethylene glycol(PEG-8)	ME1189776	0.98	1.12	0.91
Asp-Phe	ME1189715	0.96	0.92	1.13
Aspartylphenylalanine isomer	ME1189716	0.94	0.88	1.18
Proline betaine	ME1189546	0.94	0.85	1.22
Ala-Ala	ME1189567	1.14	0.75	1.06
M1X-RT300MZ200	ME1189613	1.12	0.79	1.05
Asp-Ile	ME1189679	1.09	0.76	1.12
N-Acetyl-1-methylhistidine	ME1189627	1.10	0.77	1.09
M1X-RT160MZ247	ME1189678	1.07	0.82	1.09
M1X-RT351MZ237	ME1189658	1.05	0.80	1.13
Asp-Leu	ME1189680	1.01	0.86	1.11
gamma-Glu-Thr	ME1189684	1.04	0.87	1.08
M1X-RT241MZ214	ME1189629	1.08	0.90	0.99
N-a-Acetyl-L-arginine	ME1189630	1.05	0.90	1.03
Prolinamide	ME1189525	1.06	0.89	1.03
M1X-RT205MZ295	ME1189734	1.07	0.85	1.05
M1X-RT72MZ262	ME1189697	1.08	0.86	1.03
7-Methyladenine	ME1189557	1.10	0.94	0.94
1-Methyladenosine	ME1189719	1.08	0.95	0.95
Serotonin	ME1189563	1.08	0.94	0.96
Trp-Pro	ME1189737	1.09	0.98	0.90
3-Methoxytyramine	ME1189559	1.13	0.92	0.91
Deoxycytidine	ME1189642	1.14	0.95	0.88
Tiglylcarnitine(AcCa(5:1)	ME1189666	1.12	0.95	0.90
Homo-L-arginine	ME1189599	1.21	0.88	0.85
Citrulline	ME1189586	1.17	0.92	0.86
M1X-RT511MZ302	ME1189739	1.17	0.93	0.85
Glutarylcarnitine(AcCa(5:0-DC)	ME1189706	1.17	0.88	0.90
M1X-RT317MZ303	ME1189741	1.17	0.89	0.89
Pterin	ME1189573	1.12	0.89	0.95
Cortisone	ME1189767	1.15	0.88	0.93
Succinylcarnitine(AcCa(4:0-DC)	ME1189698	1.14	0.89	0.92
Dopamine	ME1189540	1.24	0.83	0.87
Indoleacetic acid	ME1189585	1.18	0.84	0.92
M1X-RT61MZ86	ME1189792	1.18	0.85	0.91
Hexanoylcarnitine(AcCa(6:0) isomers	ME1189693	1.20	0.82	0.91
M1X-RT199MZ279	ME1189708	1.20	0.83	0.91
7,8-Dihydrobiopterin	ME1189664	1.20	0.84	0.90
Hyp-Leu	ME1189669	1.21	0.83	0.90
Indoleacetylglutamine	ME1189743	1.21	0.95	0.79
Trimethylamine N-oxide	ME1189791	1.21	0.95	0.78
M1X-RT187MZ181	ME1189592	1.17	0.99	0.80
M1X-RT230MZ220	ME1189633	1.14	1.02	0.81
M1X-RT375MZ405	ME1189778	1.24	1.07	0.64
Tyramine	ME1189527	1.19	1.05	0.72
M1X-RT323MZ464	ME1189781	1.39	0.41	1.06
Indole-3-acetylglutamic acid	ME1189745	1.32	0.86	0.74
M1X-RT169MZ281	ME1189714	1.40	0.70	0.78
Methylimidazoleacetic acid	ME1189544	1.40	0.71	0.78
2-Oxoarginine	ME1189580	1.36	0.75	0.79
N-Lactoylvaline	ME1189602	1.33	0.80	0.78
Hexenoylcarnitine(AcCa(6:1)	ME1189692	1.23	0.70	0.99
M1X-RT368MZ224	ME1189638	1.23	0.71	0.99
M1X-RT278MZ425	ME1189779	1.21	0.77	0.95
M1X-RT446MZ251	ME1189686	1.17	0.80	0.97
Porphobilinogen	ME1189640	1.32	0.73	0.86
M1X-RT386MZ251	ME1189685	1.34	0.71	0.85
Succinyl-phenylalanine	ME1189702	1.34	0.71	0.85
M1X-RT175MZ295	ME1189732	1.28	0.75	0.89
2-Aminonicotinic acid	ME1189543	1.29	0.70	0.92
Succinyl-tryptophan	ME1189746	1.31	0.70	0.90
2-Aminooctanoic acid	ME1189566	1.33	0.64	0.93
M1X-RT232MZ149	ME1189554	1.30	0.64	0.96
M1X-RT337MZ202	ME1189617	1.31	0.64	0.95
M1X-RT270MZ237	ME1189657	1.39	0.64	0.86
M1X-RT308MZ200	ME1189614	1.38	0.61	0.90

Factors:

F1	Sample source:Urine \| Factor:Health
F2	Sample source:Urine \| Factor:Liver-Gallbladder Damp-Heat
F3	Sample source:Urine \| Factor:Liver Qi Stagnation

Data matrix