Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000047)

MS negative ion mode/HILIC (Analysis AN000083)

Metabolite	Structure	F1	F2	F3
5,6-Dihydrouridine	ME651477	1.08	0.97	0.95
Embelin-1.1001831	ME651573	1.02	1.02	0.96
Isoacitretin-2.0889266	ME651615	1.04	0.90	1.07
3-Furoicacid	ME651467	1.11	0.91	0.97
Dihydrolipoamide	ME651562	0.94	0.98	1.09
Procarbazine	ME651682	1.03	1.29	0.67
Catalpol	ME651527	0.89	1.06	0.94
dihydroxyacetonephosphate(DHAP)	ME651564	1.05	0.97	0.98
3E,5E-tridecadienoicacid	ME651466	1.01	1.19	0.80
Acetoaceticacid	ME651496	0.55	1.38	0.49
Embelin-0.8153355	ME651571	0.92	1.28	0.79
Embelin-0.9982194	ME651572	0.99	1.13	0.85
3D,7D,11D-Phytanicacid	ME651462	0.99	1.02	0.99
Embelin-1.9750104	ME651575	1.04	1.00	0.97
Fosfomycin	ME651580	1.07	0.92	1.05
METHYL7-DESHYDROXYPYROGALLIN-4-CARBOXYLATE	ME651645	0.70	1.28	0.78
Gemfibrozil	ME651584	1.01	1.15	0.84
2,3-Dioxogulonicacid	ME651431	1.05	0.86	1.07
Lauricacid	ME651628	1.08	0.98	0.92
ETHOPROPAZINE	ME651577	1.10	0.73	1.07
Oxazepam	ME651672	0.76	1.26	0.99
Indoxylsulfuricacid	ME651608	1.21	0.94	0.83
Erythrono-1,4-lactone	ME651576	0.29	0.43	2.29
Isoacitretin	ME651610	0.80	0.96	1.24
Uricacid-2.925639	ME651730	0.99	0.98	1.02
Dihydroxyfumarate	ME651565	0.79	1.00	1.18
Pyrazinoicacid	ME651691	0.89	1.08	1.04
SULBACTAM	ME651715	0.50	0.72	1.66
Inosine	ME651609	1.02	1.05	0.93
Pseudouridine	ME651687	1.10	0.94	0.97
Sulfadoxinesuflate	ME651716	1.00	0.98	1.02
threo-Isocitricacid	ME651723	1.20	0.82	0.99
1-Methylguanine	ME651429	1.02	0.97	1.01
Succinicanhydride-3.020823	ME651714	1.38	0.85	0.82
Pyrophosphate-4.160074	ME651697	1.03	1.03	0.95
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoicacid	ME651441	0.56	1.28	0.83
GlnTrpGln	ME651586	0.98	1.04	0.98
3-Hydroxyphenytoin	ME651470	0.83	1.31	0.96
D1-2-Hydroxymethylethisterone-1.2925578	ME651545	1.01	0.91	1.07
1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dihydroxy-24-oxocholecalciferol	ME651426	1.02	1.03	0.95
Isoleucine	ME651618	0.96	0.94	1.10
Citraconicacid	ME651529	1.19	0.86	0.94
2-Hydroxyethanesulfonate	ME651442	0.96	1.05	0.99
Isoacitretin-1.9727861	ME651614	1.04	0.96	1.00
2-Hydroxyethinylestradiol	ME651443	0.80	0.99	1.21
LysPhe	ME651641	0.84	1.10	1.06
L-Fucose1-phosphate	ME651632	1.00	1.09	0.92
Purine	ME651688	0.95	1.08	0.97
a-hydroxybutyrate	ME651505	0.92	1.11	0.96
PantothenicAcid	ME651674	0.89	0.95	1.16
Citraconicacid-1.722686	ME651530	0.96	0.88	1.16
GluSer	ME651588	0.92	1.19	0.92
2-Amino-4-chloro-6-methylpyrimidine	ME651435	1.04	1.01	0.94
n-HexanoicAcid	ME651664	1.12	0.89	0.99
Pyruvicacid-2.0019042	ME651703	1.21	0.94	0.85
12-oxo-10Z-dodecenoicacid	ME651423	0.98	1.14	0.85
Acetoin-1.7186093	ME651499	0.75	1.14	1.06
COTARNINE	ME651538	1.42	1.01	0.92
Mannitol	ME651642	0.86	1.11	1.03
Glutaconicacid	ME651589	1.05	0.94	1.01
Methylglyoxal-1.6264697	ME651649	1.05	0.88	1.02
AlaMetLys	ME651509	0.95	1.12	0.90
clavuloneIII	ME651534	0.94	0.96	1.10
L-Galactose	ME651633	0.86	1.18	0.97
5-Hydroxyindol-2-carboxylicacid	ME651480	0.91	0.97	1.12
Mono-N-depropylprobenecid	ME651653	0.87	1.13	0.99
Imidazolone-0.8470633	ME651602	0.92	1.10	1.00
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonide	ME651484	0.97	0.94	1.08
Allantoin	ME651511	1.02	0.87	1.10
Clorazepate	ME651537	0.99	1.08	0.93
9-hydroxy-5Z-nonenoicacid	ME651494	1.01	0.91	1.09
Imidazolone-5.591784	ME651606	1.13	0.95	0.93
Uridine	ME651731	0.89	1.02	1.09
DIBENZOTHIOPHENE	ME651560	0.98	1.13	0.88
O-BENZYL-l-SERINE	ME651666	0.71	1.36	0.95
Dehydroascorbicacid-2.9501877	ME651552	1.32	0.69	0.99
Dehydroascorbicacid-2.0140483	ME651551	1.28	0.79	0.96
Succinicanhydride	ME651711	1.11	1.21	0.69
a-hydroxybutyrate-1.537142	ME651506	0.98	0.86	1.16
Xanthine	ME651735	1.00	1.00	1.00
Pyrophosphate	ME651696	1.00	0.94	1.06
DL-erythronicacid	ME651566	0.93	1.05	1.02
alpha-ketoglutarate	ME651514	0.69	1.47	0.42
Naproxen-3.0620813	ME651662	1.16	1.04	0.81
Acetoaceticacid-2.7565882	ME651497	0.87	1.04	1.09
(22E,24E)-1alpha,25-dihydroxy-22,23,24,24a-tetradehydro-24a-homovitaminD3/(22E,24E)-1alpha,25-dih	ME651420	0.50	2.42	0.30
Ellagicacid	ME651569	1.08	0.93	0.99
GENKWANIN	ME651585	0.77	1.13	1.16
Stearicacid	ME651709	0.96	1.05	0.98
Pyrrole-2-carboxylicacid-1.9725019	ME651700	0.96	1.06	0.98
2-Hydroxyethinylestradiol-2.8964827	ME651448	1.02	0.92	1.06
2-Propylglutaricacid	ME651455	0.91	1.05	1.04
(+)-6-methylcaprylicacid	ME651418	0.99	0.88	1.10
LUPININE	ME651640	0.77	1.02	1.24
Bilirubin	ME651524	0.84	1.17	1.02
O-Desmethylquinidine	ME651670	0.92	1.09	1.03
clavuloneI	ME651533	0.98	0.94	1.08
KOBUSONE	ME651620	0.94	1.21	0.81
TUBAICACID	ME651728	0.91	1.19	0.91
Acrylicacid-2.8973038	ME651503	0.99	1.20	0.90
14-pentadecynoicacid	ME651425	1.09	0.92	1.07
2,3-Dihydroxy-3-methylvalericacid	ME651430	0.89	1.06	1.07
Veratricacid	ME651733	1.03	1.11	0.89
KOBUSONE-1.0965811	ME651621	0.99	0.97	1.04
2H-1-Benzopyran-6-aceticacid,7-hydroxy-8-methoxy-2-oxo-	ME651439	0.98	0.89	1.09
Citraconicacid-2.040095	ME651531	1.18	0.84	0.97
B-ureidoisobutyricacid	ME651525	0.66	1.36	0.98
Isoacitretin-1.1998972	ME651612	1.00	0.95	1.05
7-hydroxyTetranorIloprost	ME651492	0.54	1.67	0.78
TrpTyrGlu	ME651726	1.01	0.86	1.10
beta-Alanine-6.9398165	ME651523	0.83	1.18	0.99
Isoacitretin-2.8948605	ME651616	1.07	0.92	1.01
Uricacid	ME651729	0.96	1.08	0.96
ThrGly	ME651724	0.85	1.09	1.09
Taurine	ME651718	0.87	1.11	1.02
Pirenzepine	ME651681	0.85	1.31	0.84
pentanamide	ME651676	1.03	0.91	1.06
Methylglyoxal	ME651647	0.87	1.47	0.66
methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	ME651646	1.33	0.96	0.60
13-ethyl-2,17-dihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one	ME651424	1.02	0.95	1.05
2-Hydroxyethinylestradiol-1.1476005	ME651444	0.70	0.78	1.52
myo-Inositol-2.6662457	ME651656	0.99	1.14	0.85
Xanthosine	ME651736	1.03	1.06	0.91
20-ethyl-PGE2	ME651434	1.19	0.92	0.89
PheArgSer	ME651677	1.10	0.93	0.97
3-Hydroxy-2-methyl-[R-(R,S)]-butanoicacid	ME651468	0.99	1.02	0.98
Diacetyl-2.955511	ME651559	0.96	1.31	0.76
D1-2-Hydroxymethylethisterone-2.898744	ME651548	1.06	0.93	1.01
Lactaldehyde-1.8849502	ME651623	0.25	0.33	2.60
SerLysMet	ME651708	0.98	1.02	1.00
O-Desmethylnaproxen-1.3967192	ME651668	0.80	1.23	0.96
Purine-1.994147	ME651690	0.95	1.02	1.03
Lactate-5.7357388	ME651626	0.87	1.18	0.93
m-Salicylicacid	ME651654	1.14	1.36	0.65
2-Furoylglycine	ME651438	0.88	1.30	0.59
AspAsp	ME651517	0.93	1.08	0.99
Lactaldehyde	ME651622	0.93	1.09	0.98
AspGlu	ME651518	0.84	1.09	1.00
Embelin	ME651570	1.03	1.03	0.95
Tryptophan	ME651727	1.02	0.95	1.02
5-Acetyl-4-methylthiazole	ME651479	1.09	0.97	0.95
3,4,5-Trihydroxystilbene	ME651459	1.05	0.97	0.96
N-Acetyl-5-hydroxysulfapyridine	ME651658	0.99	0.94	1.10
Losartan	ME651639	0.99	0.93	1.08
Propanoicacid,2-hydroxy-3-[(4-hydroxy-1-naphthalenyl)oxy]-	ME651684	1.12	0.78	1.40
2-propyl-tridecanoicacid	ME651456	0.96	1.05	0.99
Lorazepam-2.8873434	ME651638	1.10	1.14	0.70
2-BENZOYL-5-METHOXYBENZOQUINONE	ME651436	0.84	1.03	1.11
Pyrrole-2-carboxylicacid-2.172489	ME651701	1.13	0.95	0.91
Diacetyl	ME651556	1.15	0.78	1.07
Adriamycinone	ME651504	1.03	0.80	1.12
Pyruvicacid	ME651702	0.94	0.89	1.15
Imidazolone-1.0847108	ME651603	0.99	0.98	1.03
Methylglyoxal-1.3239123	ME651648	0.82	1.15	0.97
4-hydroxypelargonicacid	ME651475	1.02	0.92	1.07
Phenylalanine	ME651678	0.97	1.04	0.99
AspThr	ME651519	0.90	1.07	1.03
Creatine	ME651539	0.82	1.02	1.11
3-(a-Naphthoxy)lacticacid	ME651458	0.97	1.04	0.99
Creatinine	ME651540	1.06	0.95	0.99
2^-Deoxyuridine5^-diphosphate(dUDP)	ME651437	1.17	0.97	0.96
Succinicanhydride-1.1389956	ME651712	1.14	0.98	0.89
Imidazolone-5.7556376	ME651607	1.11	1.04	0.88
3-DESMETHYL-5-DESHYDROXYSCLEROIN	ME651464	0.81	0.86	1.40
D1-2-Hydroxymethylethisterone	ME651543	0.87	0.93	1.20
7E-decen-1-ol	ME651489	0.65	1.18	0.97
Isoacitretin-1.3034887	ME651613	0.92	0.92	1.17
L-DOPA	ME651629	1.00	0.85	1.14
Succinicanhydride-1.6393243	ME651713	1.23	0.90	0.87
KINETIN	ME651619	0.99	1.08	0.91
ClonidineMetabolite3-3.0479238	ME651536	1.07	0.91	1.03
5-Hydroxymethyluracil	ME651483	0.87	1.18	0.95
Naltrexone-3-glucuronide	ME651660	1.03	0.87	1.05
Imidazolone-1.1732987	ME651604	1.01	0.96	1.03
Carboxyltolmetin	ME651526	0.95	1.00	1.09
Lactate	ME651624	1.00	1.05	0.95
ethylmalonicacid	ME651578	0.87	0.90	1.25
1,3-Glyceryldinitrate	ME651422	0.78	1.32	0.98
Crotonicacid	ME651541	1.04	1.19	0.73
Phosphatidylglycerol	ME651680	0.73	1.10	1.17
Thioguanine	ME651722	0.91	1.09	0.95
Nicorandil	ME651665	0.97	0.94	1.10
Purine-1.0687234	ME651689	0.94	1.10	0.95
Acrylicacid	ME651502	1.11	0.91	0.97
Pyrrole-2-carboxylicacid	ME651699	0.89	1.01	1.08
ProTyrTrp	ME651686	1.05	0.89	1.05
3-Methylsubericacid	ME651471	0.89	0.83	1.40
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl-Pentanoicacid(GemfibrozilM4)	ME651478	1.05	0.92	1.02
aminohippuricacid	ME651515	1.08	1.02	0.91
Diacetyl-1.7367859	ME651557	0.83	0.97	1.20
Ribothymidine	ME651705	0.96	1.02	1.02
Mitotane	ME651652	0.51	0.45	1.90
Propionylglycinemethylester	ME651685	1.03	0.90	1.07
Methylglyoxal-2.3959143	ME651650	0.90	0.94	1.15
Allantoin-2.1088858	ME651512	0.86	1.23	0.97
Lorazepam	ME651635	0.85	1.24	0.93
3alpha-HYDROXY-3-DEOXYANGOLENSICACIDMETHYLESTER	ME651460	1.06	0.94	0.97
CEFTIBUTEN	ME651528	1.01	1.10	0.89
Tetracaine	ME651721	1.07	0.93	0.96
2-ISOPROPYL-3-METHOXYCINNAMICACID	ME651449	1.32	0.76	0.87
2-Oxo-4-methylthiobutanoicacid	ME651454	0.96	0.98	1.07
Pyrocatecholsulfate	ME651693	0.95	0.92	1.13
alpha-hydroxyisobutyrate	ME651513	1.00	1.03	0.97
Lorazepam-2.4245577	ME651636	0.91	1.08	1.01
9-lauroleicacid	ME651495	1.16	1.12	0.71
Alfentanil	ME651510	0.79	1.23	0.99
HisLeuLys	ME651598	1.20	0.91	0.89
Glucosylgalactosylhydroxylysine	ME651587	1.08	0.93	0.94
FUMARPROTOCETRARICACID	ME651582	0.95	0.98	1.06
Valine	ME651732	0.88	1.05	1.08
2-Hydroxyethinylestradiol-2.0906997	ME651447	1.05	0.89	1.06
Diacetyl-1.9789566	ME651558	0.80	0.99	1.20
3-oxo-dodecanoicacid	ME651472	1.09	1.00	0.96
2,4-DINITROPHENOL	ME651432	1.03	0.96	1.00
HisCys	ME651597	0.97	1.03	0.99
Acetoin-1.7995661	ME651500	0.88	1.22	0.96
Oroticacid	ME651671	0.80	1.09	1.14
2-Hydroxyethinylestradiol-1.9728087	ME651446	1.05	0.95	1.00
a-hydroxyisovalerate	ME651507	0.99	1.01	1.01
MethoxsalenMetabolite	ME651644	0.51	1.48	0.82
CysCysTyr	ME651542	0.84	1.14	1.02
5-Hydroxyindoleaceticacid-1.9673504	ME651482	1.42	0.92	0.65
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoicacid(GemfibrozilM1)	ME651476	1.03	1.41	0.56
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine	ME651663	0.99	1.02	0.99
O-Desmethylnaproxen	ME651667	0.98	1.14	0.88
MERBROMIN	ME651643	0.91	1.09	0.99
Dodecanedioicacid	ME651568	0.99	1.03	0.98
Lactate-5.6089334	ME651625	0.96	1.07	0.97
3-Dehydroquinicacid	ME651463	0.98	1.17	0.78
Naproxen	ME651661	0.99	1.08	0.93
beta-Alanine	ME651522	1.01	0.94	1.05
GluTyrThr	ME651592	0.99	0.96	1.06
D-Glucose	ME651554	1.00	1.02	0.97
Loratadine	ME651634	0.97	0.80	1.34
MetMetTrp	ME651651	1.00	0.99	1.02
Lorazepam-2.8229904	ME651637	1.02	0.84	1.15
(+)-Bornane-2,5-dione	ME651419	0.97	1.13	0.84
CITROPTEN	ME651532	0.83	1.31	0.86
desmethylnortriptylineglucuronide	ME651553	0.92	0.92	1.19
Glutamicacidg-semialdehyde	ME651590	1.00	0.95	1.05
ClonidineMetabolite3	ME651535	0.83	1.17	0.97
a-hydroxyisovalerate-2.912282	ME651508	1.12	1.06	0.81
myo-Inositol	ME651655	0.84	1.18	0.99
Dehydroascorbicacid-1.13851	ME651550	1.12	0.96	0.92
(22R)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epivitaminD3/(22R)-1alpha,22,2	ME651421	0.49	1.88	0.68
Fumaricacid	ME651581	0.91	1.47	0.61
2-Naphthaleneaceticacid,6-hydroxy-	ME651451	0.98	1.06	0.96
Benzaldehyde,p-amino-,thiosemicarbazone	ME651521	0.79	1.20	0.91
Glutaral(Glutaraldehyde)	ME651591	0.95	1.09	0.93
3-Hydroxydodecanedioicacid	ME651469	1.05	1.06	0.80
3-dodecynoicacid	ME651465	0.99	1.10	0.91
Sulfaphenazole	ME651717	1.01	1.07	0.93
Acetoin	ME651498	1.00	1.00	1.01
Dehydroascorbicacid	ME651549	1.45	0.63	0.90
Dihydroxyacetone(glycerone)	ME651563	0.82	0.97	1.18
Isoacitretin-1.116818	ME651611	1.21	0.87	0.95
EUGENITOL	ME651579	0.90	1.13	1.01
N,N-HEXAMETHYLENEAMILORIDE	ME651657	0.95	1.09	0.88
1beta,25-dihydroxy-3-deoxy-3-thiavitaminD3/1beta,25-dihydroxy-3-deoxy-3-thiacholecalciferol	ME651427	0.97	1.02	1.01
Pyruvicacid-3.3105016	ME651704	1.11	0.85	0.94
2-Naphthaleneaceticacid,6-hydroxy--3.1083467	ME651452	0.90	1.18	0.91
Gualenate(SodiumGualenate)	ME651596	0.84	1.34	0.77
Procarbazine-1.0827432	ME651683	0.87	1.20	0.91
D1-2-Hydroxymethylethisterone-1.9729636	ME651546	1.05	0.96	0.99
Embelin-1.2925849	ME651574	1.00	0.94	1.05
1-Hydroxy-2-naphthoicacid	ME651428	0.65	1.35	1.03
Oxipurinol	ME651673	1.01	0.97	1.02
D1-2-Hydroxymethylethisterone-1.0877049	ME651544	1.09	0.89	1.03
2-Methoxy-estradiol-17beta3-glucuronide	ME651450	1.03	0.89	1.07
Veratricacid-3.0931485	ME651734	0.97	0.96	1.08
2-Naphthaleneaceticacid,6-hydroxy--3.220013	ME651453	0.88	1.29	1.00
6-Hydroxynicotinicacid	ME651486	0.99	1.05	0.95
3-Amino-3-(4-hydroxyphenyl)propanoate	ME651461	0.84	1.00	1.15
griseorhodinA	ME651595	0.86	1.04	1.11
7-Aminonitrazepam	ME651488	0.97	1.10	0.92
Pyroglutamicacid	ME651695	0.81	1.12	1.07
D-Leucicacid	ME651567	0.99	0.98	1.03
2,5-Dimethoxycinnamicacid	ME651433	0.76	1.17	1.06
Stearicacid-1.975433	ME651710	1.17	0.97	0.86
Zalcitabinemonophosphate	ME651737	0.98	1.08	0.90
PYROGALLIN	ME651694	0.59	1.49	0.88
7-Hydroxyoctanoicacid	ME651491	0.93	0.94	1.14
O-Desmethylnaproxen-3.1314578	ME651669	0.86	1.14	1.02
Terephthalicacid	ME651719	0.86	1.23	1.12
Isobutyrylglycinemethylester	ME651617	0.96	0.93	1.11
2-Hydroxyethinylestradiol-1.305595	ME651445	0.99	0.97	1.04
gamma-Hydroxyphenylbutazoneglucuronide	ME651583	1.14	0.93	0.92
Imidazolone	ME651601	0.99	0.95	1.06
Leucine	ME651631	0.93	1.02	1.05
PenicillinG	ME651675	0.76	0.85	1.39
Phenylsulfate	ME651679	1.48	0.84	0.68
Acipimox	ME651501	1.09	0.94	0.97
7-Ethoxycoumarin	ME651490	0.91	0.78	1.49
Benazeprilat	ME651520	1.21	0.79	1.05
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonide-1.9632031	ME651485	0.66	1.28	1.06
D-Glucoside	ME651555	0.69	0.76	1.65
7-Acetamidonitrazepam	ME651487	0.98	0.99	1.04
N-Acetylgalactosamine4-sulphate	ME651659	0.91	1.07	1.02
Imidazolone-1.9679021	ME651605	1.03	1.03	0.94
Glycolate	ME651593	1.09	0.95	0.92
Lacticacid	ME651627	1.01	0.72	1.26
Pyrophosphate-6.828654	ME651698	0.90	1.06	0.95
4,8-dimethyl-dodecanoicacid	ME651473	1.17	0.98	0.86
9(S)-HODE-d4	ME651493	0.88	1.14	0.93
5-Hydroxyindoleaceticacid	ME651481	0.98	0.91	1.10
ArgCysCys	ME651516	0.77	1.20	0.99
D1-2-Hydroxymethylethisterone-2.0888731	ME651547	1.04	0.88	1.08
2-propyl-tridecanoicacid-1.9754443	ME651457	1.17	0.98	0.85
Lecanoricacid	ME651630	1.10	0.86	1.04
Sedoheptulose-2.968789	ME651707	0.83	1.10	1.08
Glyoxylicacid	ME651594	0.88	0.94	1.16
Hypoxanthine	ME651599	1.02	0.96	1.02
Dihydrokaempferol	ME651561	0.63	1.13	1.30
Zearalenone	ME651738	1.00	0.95	1.05
2-Heptenedioicacid,4-oxo-	ME651440	0.96	1.03	1.01
Sedoheptulose	ME651706	0.97	1.05	0.97
4-amino-4-cyano-butanoicacid	ME651474	1.02	0.94	1.02
Iduronicacid	ME651600	0.70	0.65	1.48
Testosteronesulfate	ME651720	1.01	1.25	0.73
Pyrimethamine	ME651692	0.80	1.31	0.90
Triprolidine	ME651725	0.83	0.94	1.30

Factors:

F1	Cognitive Status:AD
F2	Cognitive Status:CN
F3	Cognitive Status:MCI

Data matrix