Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000047)

(Analysis AN000080)

Metabolite	Structure	F1	F2	F3
diethyltoluamide	ME650379	0.44	0.48	3.59
3-Hydroxycapricacid	ME650220	2.02	0.64	0.39
Lidocaine	ME650491	2.36	0.53	0.11
DIALLYLSULFIDE	ME650374	1.09	0.93	NA
3-oxo-4-pentenoicacid+2.9779496	ME650231	1.45	0.60	0.96
p-Aminobenzoicacid+0.94484663	ME650565	1.50	0.59	0.84
8-Amino-7-oxononanoate+4.7958198	ME650266	1.49	0.65	0.66
L-Glutamicaciddibutylester	ME650486	1.54	0.51	0.59
4^-Hydroxyminoxidil	ME650238	0.97	0.73	1.15
bicyclo-PGE2	ME650321	1.04	0.77	1.22
L-Alaninen-butylester	ME650471	1.01	0.72	1.23
Tranexamicacid	ME650631	1.00	0.73	1.28
Zalcitabine	ME650667	0.90	0.79	1.34
N2-Succinyl-L-ornithine	ME650534	0.90	0.82	1.31
Netilmicin	ME650545	0.87	0.81	1.31
Carteolol	ME650339	0.85	0.81	1.22
Indoleacrylicacid+4.1127377	ME650457	0.85	0.81	1.27
3-(3-Indolyl)-2-oxopropanoicacid	ME650209	0.89	0.92	1.18
Acetoin+3.357173	ME650285	0.90	0.92	1.18
6-Formylindolo[3,2-B]carbazole	ME650255	0.84	0.94	1.22
4-Hydroxypyridine+1.6993763	ME650240	0.86	0.88	1.21
GluGlu	ME650424	0.83	0.90	1.23
D-Proline	ME650400	0.98	0.82	1.24
7,8-Didehydroastaxanthin	ME650259	0.94	0.84	1.21
Desmethyldoxepine	ME650366	0.93	0.84	1.17
Benzylmalicacid	ME650317	0.92	0.82	1.19
S-(p-Azidophenacyl)glutathione	ME650619	0.93	0.83	1.19
Flucytosine+0.99118036	ME650412	0.96	0.89	1.16
GlnSerHis	ME650421	0.97	0.89	1.14
Valine	ME650659	0.96	0.86	1.18
Valine+1.1798357	ME650660	0.98	0.86	1.16
Phenytoin-N-glucuronide	ME650582	0.64	0.94	1.33
Biotinamide	ME650323	0.69	0.88	1.41
Tyrosine+1.775995	ME650642	0.74	0.89	1.38
p-Coumaricacid	ME650567	0.70	0.86	1.32
C17Sphinganine	ME650329	0.77	0.91	1.30
Caffeine	ME650333	0.71	0.93	1.34
Isoniazid	ME650463	0.73	0.94	1.31
Proline+2.1935194	ME650598	0.69	0.75	1.46
3E,5E-tridecadienoicacid	ME650219	0.78	0.77	1.43
Homoserine	ME650446	0.78	0.80	1.43
D-Glucose+3.6962345	ME650371	0.82	0.80	1.39
Triparanol	ME650636	0.83	0.78	1.35
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oicAcid	ME650214	1.20	0.71	1.10
13E,17-octadecadienoicacid	ME650136	1.26	0.71	1.05
Bifemelane(M4)	ME650322	1.25	0.75	1.05
8R-hydroxy-9Z-octadecenoicacid+12.146298	ME650273	1.23	0.81	0.91
L-gamma-Cyano-gamma-aminobutyricacid	ME650483	1.27	0.83	0.92
2-Aminopropanol	ME650180	1.29	0.74	0.96
Indospicine	ME650458	1.36	0.77	0.93
DIBENZOTHIOPHENE+1.2266107	ME650376	1.44	0.88	0.78
Proline	ME650595	1.18	0.91	0.73
6,8-dihydroxy-octanoicacid	ME650252	1.26	1.00	0.80
Docosanedioicacid	ME650395	1.20	0.91	0.81
Homocysteine	ME650445	1.26	0.92	0.86
TyrPro	ME650643	1.24	0.90	0.86
Histidine	ME650440	1.32	0.86	0.82
Oxybutynin	ME650563	1.25	0.84	0.81
Homoarginine	ME650444	1.15	0.85	0.97
2-Pyrrolidinone+2.8932798	ME650205	1.16	0.88	0.97
Acetoin+3.1608412	ME650284	1.18	0.88	0.96
Desethylchloroquine	ME650365	1.15	0.93	0.91
8-AminoCaprylicacid	ME650268	1.18	0.89	0.92
ProPheArg	ME650600	1.17	0.90	0.93
Vanillacticacid	ME650663	1.08	0.88	1.04
Pinacidil	ME650587	1.07	0.90	1.03
Asymmetricdimethylarginine	ME650311	1.08	0.90	1.02
Triparanol+3.4729714	ME650639	1.08	0.90	1.02
1a,1b-dihomo-15-deoxy-delta-12,14-PGD2	ME650143	1.11	0.88	1.03
GuanidinosuccinicAcid	ME650436	1.09	0.88	1.01
C18-Cerebroside	ME650330	1.13	0.87	1.05
D-Leucicacid+3.3511949	ME650390	1.09	0.86	1.06
4-Pyridoxicacid	ME650241	1.12	0.89	0.99
Norpropoxyphene	ME650556	1.12	0.90	0.98
1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1^-rac-glycerol)	ME650156	1.11	0.90	1.00
Uricacid	ME650655	1.10	0.90	1.00
5,6-Dihydrouridine	ME650244	1.11	0.91	0.99
Pyridoxamine	ME650606	1.10	0.91	0.98
RETUSOQUINONE+11.520966	ME650617	1.11	0.91	0.94
6,8-dihydroxy-octanoicacid+4.223625	ME650253	1.12	0.91	0.95
(6RS)-22-oxo-23,24,25,26,27-pentanorvitaminD36,19-sulfurdioxideadduct/(6RS)-22-oxo-23,24,25,26	ME650122	1.11	0.91	0.95
2,4,6,8,10-dodecapentaenal	ME650171	1.10	0.93	0.96
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)+2.8463671	ME650553	1.12	0.93	0.97
CysSer	ME650358	1.11	0.91	0.97
N2,N2-Dimethylguanosine	ME650533	1.11	0.92	0.97
4-Hydroxy-L-threonine	ME650237	1.12	0.96	1.01
8,13-dihydroxy-9,11-octadecadienoicacid	ME650264	1.15	0.95	0.98
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine	ME650547	1.12	0.82	1.07
Propionylglycinemethylester	ME650601	1.12	0.82	1.09
D-Glucose	ME650370	1.14	0.77	1.10
3-O-Methyldobutamine	ME650227	1.14	0.79	1.08
ALPRENOLOL	ME650296	1.13	0.79	1.07
L-Glutamicaciddibutylester+5.3399	ME650489	1.17	0.78	1.04
clavirinI	ME650349	1.11	0.78	1.01
5-Hydroxytryptophan	ME650250	1.15	0.78	1.00
Glucosylceramide(d18:1/20:0)	ME650423	1.14	0.81	0.99
Mebeverine	ME650504	1.13	0.81	1.02
L-gamma-Cyano-gamma-aminobutyricacid+2.6655388	ME650485	1.07	0.77	1.13
5-(hydroxymethyl)-2-Furancarboxylicacid+1.1827083	ME650243	1.01	0.85	1.05
Leucine	ME650474	1.02	0.83	1.15
o-Hydroxyaniline	ME650560	1.01	0.83	1.10
3-Aminopropanal	ME650217	1.03	0.83	1.12
p-Coumaricacid+1.7897145	ME650568	1.01	0.81	1.12
Ne-Methyl-L-lysine	ME650544	1.04	0.84	1.09
Triparanol+1.2402513	ME650638	1.03	0.86	1.11
GPIns(16:0/18:1(9Z))	ME650433	1.05	0.86	1.09
Desmethylthioridazine	ME650368	1.03	0.87	1.09
D-Leucicacid+4.228268	ME650394	1.04	0.87	1.10
GABOXADOL+1.0597433	ME650417	1.06	0.81	1.07
MetHisLys+9.580145	ME650513	1.08	0.82	1.10
Acyclovir	ME650292	1.07	0.83	1.09
Phenylalanine	ME650579	1.06	0.84	1.09
2-Furoicacid	ME650185	0.86	0.99	1.13
2-Pyrrolidinone+2.5081131	ME650204	0.90	1.00	1.11
pipecolicacid	ME650590	0.88	1.01	1.12
ESTRADIOLCYPIONATE	ME650405	0.85	1.01	1.06
2,3-Dioxogulonicacid	ME650170	0.88	1.04	1.08
Cytarabine	ME650359	0.88	1.04	1.07
6,9-hexadecadienoicacid	ME650254	0.89	1.02	1.07
epinephrylborateopthalmicsolution	ME650403	0.90	1.03	1.07
Desmethyldoxepine+8.275158	ME650367	0.96	0.90	1.09
N-Acetyl-D-mannosamine	ME650538	0.95	0.91	1.12
3-DeoxyvitaminD3	ME650218	0.97	0.93	1.10
1-Methyladenosine+1.7661844	ME650163	0.95	0.93	1.12
Indoleacrylicacid	ME650456	0.96	0.93	1.11
(E)-2-Methylglutaconicacid	ME650123	0.93	0.97	1.13
PEUCENIN	ME650575	0.93	0.98	1.13
PantothenicAcid	ME650566	0.91	0.98	1.12
LysGluVal	ME650497	0.92	0.97	1.10
Pinacidil+4.4089837	ME650588	0.92	0.98	1.11
PISCIDICACID	ME650591	0.94	0.95	1.11
Inosine	ME650459	0.94	0.95	1.12
ISOLIQUIRITIGENIN	ME650462	0.95	0.95	1.12
Propionylglycinemethylester+2.9428074	ME650602	0.93	0.94	1.10
8R-hydroxy-9Z-octadecenoicacid	ME650271	0.94	0.96	1.10
(-)N-(1R-methyl-propyl)arachidonoylamine	ME650114	0.94	0.95	1.09
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol	ME650119	0.94	0.98	1.10
AspLeu	ME650310	0.95	0.97	1.08
N-methyl-Gabapentin	ME650555	0.96	1.00	1.04
LeuProIle	ME650479	0.96	1.00	1.03
16,16-dimethyl-PGF2beta	ME650140	0.97	1.00	1.03
9,13-dihydroxy-11-octadecenoicacid	ME650278	0.97	1.00	1.03
Quinestrol	ME650612	0.97	1.00	1.05
1-Methylinosine	ME650166	0.97	0.98	1.04
2-Pyrrolidinone+2.9543996	ME650206	0.97	0.99	1.04
N-Acetylputrescine	ME650541	0.97	0.96	1.06
L-Serine	ME650494	0.96	0.97	1.06
C16Sulfatide	ME650328	0.97	0.97	1.05
Limonene-1,2-epoxide	ME650492	0.97	0.97	1.06
ThrHisGln	ME650630	0.97	0.97	1.06
AsnHisSer	ME650308	0.99	0.97	1.04
MYCOPHENOLICACID+4.000977	ME650525	0.99	0.96	1.04
Demissidine	ME650364	0.98	0.96	1.05
1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol	ME650154	0.99	0.97	1.05
1-hexadecanoyl-sn-glycerol	ME650157	0.98	0.97	1.05
GlnSerThr	ME650422	0.92	0.99	1.09
N-Acetyl-L-Histidine	ME650539	0.92	1.00	1.09
2-METHOXYRESORCINOL	ME650193	0.92	1.01	1.08
Histidine+0.8661965	ME650441	0.91	1.01	1.08
3-Hydroxycapricacid+5.362054	ME650222	0.91	1.00	1.08
Hypoxanthine+1.5465705	ME650449	0.91	1.00	1.09
22:1Cholesterylester	ME650175	0.95	0.99	1.07
2-Amino-2-methyl-1-propanol	ME650176	0.94	0.99	1.07
3,4-dihydroxymandelate	ME650212	0.96	0.99	1.07
2-Deoxyglucose	ME650184	0.95	0.99	1.06
Carboxyprimaquine	ME650338	0.96	0.99	1.06
trans-Aconitate	ME650634	0.92	1.02	1.06
Dihydropteridine	ME650384	0.95	1.00	1.05
2-KetoglutaricAcid	ME650192	0.93	1.01	1.06
Furan2,5-dicarboxylicacid	ME650414	0.94	1.01	1.05
URETHANE+2.1131146	ME650654	1.01	0.89	1.09
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituricacid	ME650248	1.00	0.91	1.10
LysCysHis	ME650496	1.01	0.90	1.11
Spermidine	ME650623	1.02	0.90	1.10
C22Sulfatide	ME650331	1.05	0.90	1.02
L-Glutamicacidn-butylester	ME650490	1.05	0.92	1.03
Cephradine	ME650341	1.05	0.93	1.03
Cholest-5-ene	ME650346	1.04	0.93	1.03
L-Glutamicaciddibutylester+5.1181326	ME650487	1.05	0.92	1.05
Isopentenyladenine	ME650465	1.05	0.92	1.04
Delphinidin	ME650363	1.05	0.91	1.04
GlnProLys	ME650420	1.05	0.91	1.04
2-Amino-3-methyl-1-butanol	ME650178	1.03	0.89	1.08
Bis(2-hydroxypropyl)amine+1.6169006	ME650325	1.05	0.89	1.07
Acetoaceticacid	ME650282	1.03	0.90	1.07
1-Hydroxytetrahydrocannabinol	ME650160	1.04	0.90	1.07
6-methyltetrahydropterin	ME650256	1.04	0.90	1.06
Desmethylthioridazine+10.251241	ME650369	1.04	0.90	1.06
ROFECOXIB	ME650618	1.05	0.87	1.06
AlanineDimer	ME650294	1.06	0.89	1.05
D-Leucicacid+3.683157	ME650392	1.06	0.89	1.06
1-Hexadecylamine+10.330298	ME650159	1.02	0.94	1.01
Dihydromyricetin	ME650383	1.02	0.95	1.03
1-Methyladenosine	ME650162	1.01	0.96	1.03
Tyrosine	ME650641	1.02	0.96	1.03
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid+13.396578	ME650116	1.02	0.96	1.03
Oleamide	ME650561	1.02	0.96	1.03
Urea+1.1698138	ME650650	1.00	0.96	1.03
(E)-2-Methylglutaconicacid+1.2437595	ME650125	1.01	0.95	1.04
2-decylenicacid	ME650183	1.00	0.96	1.04
3-ketopalmiticacid	ME650224	1.01	0.96	1.04
Lysine	ME650500	1.03	0.94	1.04
Acetoin+3.7338545	ME650287	1.03	0.94	1.02
13,14-dihydro-19(R)-hydroxyPGE1	ME650135	1.02	0.94	1.03
Acetoin+3.4380774	ME650286	1.03	0.94	1.03
N-(2-hydroxyethyl)stearamide	ME650530	1.03	0.94	1.03
Perindopril	ME650573	1.00	0.94	1.04
Diethanolamine	ME650378	1.01	0.94	1.04
Dimercaprol	ME650386	1.02	0.94	1.04
DIHYDROSPATHELIACHROMENE	ME650385	0.99	0.95	1.06
8R-hydroxy-9Z-octadecenoicacid+12.259173	ME650274	1.00	0.94	1.06
octadecanamide	ME650558	1.00	0.93	1.06
D-Leucicacid+3.991298	ME650393	0.99	0.93	1.08
Vigabatrin	ME650664	0.97	0.94	1.07
5-(hydroxymethyl)-2-Furancarboxylicacid	ME650242	0.98	0.94	1.07
Cytosine	ME650360	0.98	0.94	1.08
p-HYDROXYCINNAMALDEHYDE	ME650585	1.00	0.92	1.08
1-Methylguanosine	ME650165	1.01	0.92	1.07
Loroxanthinester/Loroxanthindodecenoate	ME650493	1.01	0.92	1.07
3-Hydroxycapricacid+4.517981	ME650221	1.04	0.93	1.06
13,14-dihydro-15-keto-PGF2alpha	ME650134	1.03	0.92	1.05
Succinoadenosine	ME650625	1.02	0.93	1.06
(2-Chlorophenyl)diphenylmethane	ME650120	1.02	0.93	1.05
Isoleucine	ME650461	1.02	0.93	1.05
Methylglyoxal	ME650519	0.99	0.98	1.02
TRIACETIN	ME650635	1.00	0.98	1.02
D-Leucicacid	ME650389	1.00	0.98	1.02
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	ME650517	1.00	0.98	1.02
methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	ME650518	1.01	0.97	1.02
Quinone	ME650613	1.00	0.97	1.02
N-Acetyl-a-neuraminicacid	ME650535	1.00	0.98	1.01
9-lauroleicacid+12.430359	ME650281	1.00	0.99	1.01
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitaminD3/1alpha,25-dihydroxy-26,27-dimethyl-24+13.434656	ME650147	1.00	0.99	1.01
1-Hexadecylamine	ME650158	1.00	0.99	1.01
Octocrylene	ME650559	1.01	0.98	1.00
Hydroxyhydroquinone	ME650447	1.01	0.97	1.01
BENZYLBUTYLPHTHALATE	ME650316	1.01	0.98	1.01
7,8-Diaminononanoate	ME650257	1.01	0.98	1.01
7,8-Diaminononanoate+0.86831826	ME650258	1.01	0.98	1.01
(E)-2-Methylglutaconicacid+0.8921491	ME650124	0.98	0.99	1.03
1-octadecanoyl-rac-glycerol	ME650168	0.99	0.99	1.03
N-(2-hydroxyethyl)oleamide	ME650529	0.99	0.98	1.03
LysVal	ME650502	0.99	0.98	1.03
Histidine+1.047004	ME650442	0.99	0.98	1.03
2-Methylbutyrylglycine+3.9581158	ME650196	0.99	0.98	1.03
,4-Dihydroxyphenylpropionicacid	ME650127	0.99	0.98	1.03
LysLysLys	ME650501	0.99	1.00	1.01
N1-Acetylspermidine	ME650532	0.99	0.99	1.02
GPIns(16:0/18:1(9Z))+11.922863	ME650434	0.99	0.99	1.02
ISOSAFROLE+11.260149	ME650467	0.99	0.99	1.02
ValLysTyr	ME650662	0.99	1.00	1.02
SerSer	ME650621	0.98	1.00	1.02
8-hydroxy-17-octadecene-10,12-diynoicacid	ME650269	0.98	1.00	1.02
LysIle	ME650499	0.98	1.00	1.02
cyclandelate+11.3055525	ME650354	1.01	1.00	0.98
avobenzone+13.0102	ME650314	1.02	1.00	0.99
1alpha-hydroxy-22-(3-hydroxyphenyl)-23,24,25,26,27-pentanorvitaminD3/1alpha-hydroxy-22-(3-hydroxy	ME650150	1.01	1.00	0.99
Meradimate+9.747628	ME650508	1.01	1.00	0.99
7-hydroxy-10E,16-heptadecadien-8-ynoicacid	ME650262	1.03	1.00	0.98
Pinacidil-N-Oxide	ME650589	1.02	1.00	0.98
PhthalicacidMono-2-ethylhexylEster+11.684327	ME650584	1.02	1.00	0.98
13E,17-octadecadienoicacid+12.351626	ME650138	1.02	1.00	0.98
7-DEACETOXY-7-OXOKHIVORIN	ME650261	1.02	1.00	0.98
CARBETAPENTANE	ME650337	1.02	0.99	0.99
Meradimate	ME650506	1.02	0.99	0.99
ISOSAFROLE+7.876791	ME650470	1.02	0.99	0.98
Penbutolol	ME650570	1.02	0.99	0.98
TRANILAST	ME650633	1.02	0.98	1.00
CysAlaGly	ME650356	1.02	0.98	1.00
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitaminD3/1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c	ME650153	1.02	0.98	1.00
2-amino-tetradecanoicacid	ME650181	1.02	0.98	1.00
Creatinine	ME650351	1.02	0.99	1.00
N-(2-hydroxyethyl)icosanamide	ME650528	1.02	0.99	1.00
PGE1alcohol	ME650577	1.01	0.99	0.99
2R-aminohexadecanoicacid	ME650207	1.01	1.00	1.00
cis-11-Hexadecenal	ME650347	1.01	0.99	1.00
beta-Alanine	ME650318	1.01	0.99	1.00
1,2-di-(9Z,12Z-heptadecadienoyl)-3-octadecanoyl-sn-glycerol	ME650128	1.01	0.99	1.00
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)c	ME650148	1.01	0.99	1.00
Vigabatrin+11.291644	ME650665	1.00	0.99	1.00
n-HexanoicAcid	ME650548	1.00	1.00	1.01
URETHANE+1.9081365	ME650653	1.00	1.00	1.00
1alpha,25-dihydroxy-11beta-methoxyvitaminD3/1alpha,25-dihydroxy-11beta-methoxycholecalciferol	ME650145	1.00	1.00	1.00
p-HYDROXYCINNAMALDEHYDE+6.348544	ME650586	1.00	1.00	1.00
Acetoin	ME650283	1.02	0.98	1.01
CysProIle	ME650357	1.02	0.97	1.01
3-methyl-tetradecanedioicacid	ME650226	1.02	0.97	1.01
3-Amino-2-piperidone	ME650216	1.02	0.97	1.01
1,3-Propanediamine	ME650129	1.02	0.97	1.01
2-ISOPROPYL-3-METHOXYCINNAMICACID+11.305641	ME650191	1.02	0.97	1.01
Hypoxanthine	ME650448	1.02	0.96	1.02
N-AcetylCilastatin	ME650537	1.02	0.97	1.02
Urocanicacid	ME650657	1.02	0.97	1.02
GPEtn(O-18:0/22:0)[U]	ME650432	1.03	0.96	1.00
12-oxo-9-octadecynoicacid	ME650133	1.03	0.96	0.99
CARBADOX+3.2040133	ME650336	1.04	0.96	0.99
2-Hydroxyadipicacid+0.9071934	ME650188	1.03	0.96	1.01
2-Pyrrolidinone	ME650201	1.03	0.96	1.01
avobenzone	ME650313	1.03	0.97	1.01
EthylOxalacetate	ME650410	1.03	0.97	1.01
Purine+0.7625763	ME650605	1.04	0.97	1.00
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline+3.4088924	ME650235	1.03	0.98	1.00
PenicillinV	ME650571	1.03	0.97	1.00
4,12-dihydroxy-hexadecanoicacid	ME650233	1.03	0.97	1.00
16beta-Hydroxystanozolol	ME650142	1.03	0.97	1.00
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oicacid	ME650215	1.03	0.97	1.00
5-oxo-7-decynoicacid	ME650251	1.03	0.97	0.97
1-Methylguanine	ME650164	1.04	0.97	0.99
2-ISOPROPYL-3-METHOXYCINNAMICACID	ME650190	1.04	0.97	0.99
2,4-octadienal	ME650174	1.04	0.98	0.99
ProProPhe	ME650603	1.04	0.98	0.99
SerHisSer	ME650620	1.03	0.98	0.98
p-Coumaricacid+8.976108	ME650569	1.03	0.97	0.99
Phenoperidine	ME650578	1.03	0.98	0.99
C16Sphinganine	ME650327	1.03	0.98	0.99
PEUCENIN+7.86186	ME650576	1.03	0.98	0.99
temazepam	ME650627	0.99	1.02	1.00
(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitaminD33-oxide/(5Z)-(3S)-1alpha,25-dihydroxy-3-deo	ME650121	0.98	1.02	1.00
METHYLTHIOURACIL	ME650522	0.98	1.02	1.00
Urea+0.91156	ME650649	0.99	1.01	1.00
Pyroglutamicacid	ME650608	0.99	1.01	1.00
ISOSAFROLE+7.781458	ME650469	0.99	1.01	1.00
HisLeuSer	ME650439	0.99	1.01	1.00
Diphenoxylicacid(DPA)	ME650388	0.99	1.01	1.00
dodecanamide+10.117273	ME650397	0.99	1.01	1.00
3^-Hydroxytrimethoprim	ME650223	0.99	1.01	0.99
3-Methylamino-1,2-propandiol	ME650225	0.99	1.02	0.99
Meradimate+9.5246935	ME650507	0.98	1.03	0.99
GUVACINE	ME650437	0.96	1.03	1.00
Creatine	ME650350	0.97	1.04	1.00
2-Hydroxyfelbamate	ME650189	0.98	1.03	1.00
dodecanamide+10.603764	ME650398	0.97	1.03	1.00
3-(2,5-dimethoxyphenyl)propanoicacid	ME650208	0.97	1.03	1.00
DIBENZOTHIOPHENE+1.3471979	ME650377	0.97	1.03	1.00
Oxaloglutarate	ME650562	0.96	1.01	1.00
URETHANE+1.6414638	ME650652	0.96	1.02	1.01
Methyljasmonate	ME650520	0.97	1.02	1.01
RETUSOQUINONE+11.308531	ME650616	0.97	1.02	1.01
Pyridoxine(VitaminB6)	ME650607	0.98	1.01	1.01
8R-hydroxy-9Z-octadecenoicacid+12.002578	ME650272	0.97	1.01	1.02
Ubiquinone	ME650645	0.97	1.01	1.02
N-Acetyl-beta-D-mannosamine	ME650536	0.99	1.05	0.96
3-O-Methyldobutamine+9.681883	ME650228	0.99	1.05	0.97
Niacinamide+1.0467085	ME650551	0.99	1.05	0.97
2,4-DICHLOROPHENOXYACETICACID	ME650173	1.02	1.02	0.97
Diflunisalacylglucuronide	ME650380	1.02	1.02	0.97
Glutaral(Glutaraldehyde)	ME650425	1.01	1.03	0.96
Pentazocinetransacid	ME650572	1.01	1.02	0.96
RETUSOQUINONE	ME650615	1.00	1.01	0.98
Uridine	ME650656	1.00	1.01	0.98
Nadolol	ME650543	1.01	1.02	0.98
8R-hydroxy-9Z-octadecenoicacid+12.398762	ME650275	1.00	1.02	0.98
fluoxymesterone	ME650413	1.00	1.02	0.98
beta-vinylacrylicacid	ME650319	0.99	1.03	0.97
2,4,6,8,10-dodecapentaenal+1.227618	ME650172	1.00	1.03	0.97
3,3,45-Tetrahydroxystilbene	ME650211	1.00	1.03	0.97
3,5-dichlorosalicylicacid	ME650213	0.99	1.04	0.98
Shikimicacid	ME650622	0.99	1.03	0.98
URETHANE	ME650651	0.99	1.03	0.98
LeuProPro	ME650480	1.10	0.93	0.99
ResolvinD1	ME650614	1.08	0.92	0.99
(23R,25R)-25-hydroxyvitaminD326,23-lactone/(23R,25R)-25-hydroxycholecalciferol26,23-lactone	ME650117	1.09	0.91	1.00
Diacetyl	ME650373	1.08	0.91	1.01
8-Amino-7-oxononanoate	ME650265	1.08	0.94	0.98
HECOGENINACETATE	ME650438	1.08	0.94	0.98
AspAspPro	ME650309	1.07	0.94	0.99
CerebrosideC	ME650343	1.07	0.94	0.99
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitaminD3/1alpha,25-dihydroxy-26,27-dimethyl-24	ME650146	1.06	0.91	1.00
GPEtn(18:1(11Z)/18:1(9Z))[U]+11.980686	ME650430	1.06	0.91	1.00
VitaminD3glucosiduronate	ME650666	1.06	0.93	0.99
Fusidicacid	ME650415	1.06	0.93	1.01
C24:1-OHSulfatide	ME650332	1.07	0.93	1.00
1-Aminocyclopropane-1-carboxylicacid+1.2266328	ME650152	1.06	0.93	1.00
L-Cysteinesulfonicacid	ME650473	1.06	0.93	1.00
Chloralhydrate	ME650344	1.08	0.96	0.96
9-lauroleicacid	ME650280	1.07	0.97	0.95
3-(a-Naphthoxy)lacticacidglucuronide	ME650210	1.07	0.97	0.96
Glycine	ME650426	1.07	0.97	0.96
7-palmitoleicacid	ME650263	1.06	0.96	0.98
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid	ME650115	1.06	0.96	0.97
ISOSAFROLE+11.294703	ME650468	1.06	0.96	0.97
CDP-DG(12:0/12:0)	ME650340	1.06	0.97	0.97
TG(16:1(9Z)/20:0/22:3(10Z,13Z,16Z))[iso6]	ME650629	1.06	0.98	0.97
Embelin	ME650402	1.05	0.95	1.00
N-acetyl-LTE4	ME650540	1.04	0.95	1.00
2-Oxovalericacid+1.0467923	ME650200	1.04	0.95	1.01
8-hydroxy-17-octadecene-10,12-diynoicacid+13.171953	ME650270	1.04	0.94	1.01
Bis(2-hydroxypropyl)amine+2.961494	ME650326	1.05	0.94	1.01
LysAsnPro	ME650495	1.05	0.95	1.01
Sulfacetamide	ME650626	1.06	0.95	1.00
QH2	ME650611	1.06	0.95	0.99
Leucine+3.3912697	ME650475	1.06	0.95	0.99
n-Pentadecylamine	ME650557	1.06	0.95	0.99
IleAla	ME650453	1.05	0.97	0.98
LeuHisLeu	ME650476	1.05	0.96	0.99
MetHisLys+9.225381	ME650512	1.05	0.96	0.99
2-Amino-2-methyl-1-propanol+3.3926477	ME650177	1.05	0.96	0.98
8-Amino-7-oxononanoate+5.501855	ME650267	1.05	0.95	0.98
Camptothecin	ME650334	1.07	0.99	0.94
Mebeverinemetabolite(Veratricacidglucuronide)	ME650505	1.07	0.99	0.95
dodecanamide	ME650396	1.06	0.99	0.95
Doxapram	ME650399	1.06	1.00	0.95
Urea+0.6992776	ME650647	1.06	0.98	0.93
2-Oxovalericacid	ME650199	1.07	1.00	0.92
LEVULINICACID,3-BENZYLIDENYL-	ME650481	1.07	0.99	0.92
5,7-nonadienoicacid	ME650245	1.04	0.97	0.94
GPEtn(18:1(11Z)/18:1(9Z))[U]	ME650429	1.05	1.01	0.94
2-Pyrrolidinone,1-ethyl-4-[2-[(2-hydroxyethyl)amino]ethyl]-3,3-diphenyl-(7CI,8CI,9CI)	ME650202	1.03	1.01	0.95
Purine	ME650604	1.04	1.01	0.95
Acetyl-farnesyl-cysteine	ME650291	1.03	1.00	0.97
ISOSAFROLE	ME650466	1.04	1.00	0.96
cyclandelate	ME650353	1.04	0.98	0.97
Ecgonine	ME650401	1.04	0.99	0.97
GibberellinA9	ME650419	1.05	0.98	0.96
5a-Tetrahydrocorticosterone	ME650247	1.05	0.99	0.96
D-Homoserine	ME650372	1.04	0.99	0.96
Methylphenidate	ME650521	1.08	0.96	0.89
epsilon-Caprolactam	ME650404	1.11	0.94	0.95
Proline+0.86503255	ME650596	1.11	0.95	0.94
2-Pyrrolidinone+1.6404546	ME650203	1.09	0.95	0.95
GPP(18:1(9Z)/18:1(9Z))	ME650435	1.09	0.96	0.94
1-Pyrrolidinepropanol,a-(4-hydroxycyclohexyl)-a-phenyl-,trans-	ME650169	1.10	0.96	0.94
LeuPro	ME650478	1.10	0.96	0.94
Inosine+2.9386847	ME650460	1.10	0.97	0.92
9,12,14-octadecatrienoicacid	ME650277	1.09	0.99	0.92
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)c+13.128956	ME650149	1.09	0.98	0.94
MetHisLys	ME650510	1.09	0.98	0.94
L-gamma-Cyano-gamma-aminobutyricacid+0.890694	ME650484	1.02	1.03	0.95
TyrCysThr	ME650640	1.02	1.04	0.95
Arginine	ME650305	1.03	1.04	0.93
Dacarbazine	ME650361	1.03	1.03	0.94
5-Hydroxymethylcimetidine	ME650249	1.05	1.03	0.92
Atenolol	ME650312	1.03	1.05	0.91
HisVal	ME650443	1.03	1.05	0.92
1-L-Leucyl-L-Proline	ME650161	1.07	1.03	0.89
beta-vinylacrylicacid+3.1429625	ME650320	1.06	1.06	0.88
N-Fluorenylacetamide	ME650546	1.06	1.06	0.91
3-O-Methyl-L-DOPA	ME650229	1.01	1.10	0.93
p-Aminobenzoicacid	ME650564	1.02	1.10	0.93
Creatinine+1.1800067	ME650352	0.99	1.10	0.93
Aminosalicylicacid+2.050458	ME650300	0.99	1.09	0.92
10-hydroxy-8E-Decene-2,4,6-triynoicacid	ME650130	1.00	1.09	0.91
DIBENZOTHIOPHENE	ME650375	1.00	1.09	0.91
9-dodecen-1-ol	ME650279	1.00	1.07	0.91
IleAlaVal	ME650454	1.00	1.08	0.93
Cer(d18:0/22:0)	ME650342	0.98	1.07	0.93
GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))[U]	ME650431	0.99	1.07	0.93
1-nonadecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol	ME650167	0.98	1.09	0.88
Ethosuximide+3.0564094	ME650408	0.97	1.11	0.92
Ethylenediamine-N,N^-di-a-butyricacid	ME650409	0.98	1.12	0.91
Pyroglutamicacid+1.2445769	ME650609	0.98	1.12	0.89
VALERYLSALYCILATE	ME650658	0.98	1.14	0.89
MYCOPHENOLICACID+5.9322114	ME650527	0.95	1.15	0.87
Acetoin+9.702633	ME650290	0.94	1.12	0.94
1-eicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol	ME650155	0.93	1.15	0.92
2-methylene-4-oxo-pentanedioicacid	ME650197	0.94	1.15	0.91
IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-dimethoxy-6-methyl-)	ME650450	0.83	1.15	1.02
2-Hydroxyadipicacid	ME650187	0.95	1.04	1.01
Aminosalicylicacid+1.590819	ME650298	0.95	1.05	1.02
5-aminosalicyluricacid	ME650246	0.96	1.05	1.00
MY-5445	ME650523	0.95	1.06	1.00
IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-dimethoxy-6-methyl-)+5.8371787	ME650452	0.92	1.03	1.02
ArgSerPro	ME650306	0.94	1.02	1.04
PhthalicacidMono-2-ethylhexylEster	ME650583	0.95	1.02	1.03
Flucytosine	ME650411	0.95	1.04	1.03
CARBADOX	ME650335	0.94	1.03	1.03
GlyValHis	ME650428	0.94	1.03	1.02
MYCOPHENOLICACID	ME650524	0.95	1.08	0.94
(24S)-1alpha,24,25-trihydroxy-22-oxavitaminD3/(24S)-1alpha,24,25-trihydroxy-22-oxacholecalciferol	ME650118	0.93	1.09	0.99
L-arabitol	ME650472	0.94	1.09	0.97
ProGluTyr	ME650593	0.93	1.09	0.97
Citrullinen-butylester	ME650348	0.96	1.08	0.97
LysHis	ME650498	0.95	1.07	0.98
13S-hydroxy-9E,11Z-octadecadienoicacid	ME650139	0.93	1.07	0.98
Proline+3.5784535	ME650599	0.94	1.07	0.98
Chloramphenicolalcohol	ME650345	0.90	1.11	1.00
Valine+3.1044893	ME650661	0.91	1.14	1.00
4-Aminobutyraldehyde	ME650236	0.90	1.14	0.94
Zopiclone	ME650669	0.90	1.13	0.97
2-Heptenedioicacid,4-oxo-	ME650186	0.93	1.07	1.01
GlyValGly	ME650427	0.90	1.06	1.02
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)+2.9480572	ME650554	0.90	1.06	1.02
IlePro	ME650455	0.91	1.09	1.02
MetHisLys+10.030071	ME650511	0.91	1.08	1.02
1a,1b-dihomo-15-deoxy-delta-12,14-PGD2+14.23761	ME650144	0.86	1.09	0.99
13E,17-octadecadienoicacid+12.112559	ME650137	0.85	1.11	1.04
8S-hydroxy-2-Decene-4,6-diynoicacid	ME650276	0.87	1.09	1.03
Aminosalicylicacid	ME650297	0.89	1.09	1.03
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline	ME650234	1.08	1.26	0.66
Triparanol+1.0181272	ME650637	1.09	1.27	0.64
N(pai)-Methyl-L-histidine	ME650531	1.11	1.03	0.86
Phenylalanine+3.2762616	ME650581	1.12	1.04	0.86
Benzenepropanoicacid,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-(9CI)ASL8123	ME650315	1.11	1.05	0.83
Acetoin+4.037091	ME650289	1.09	1.06	0.85
LeuLeuAla	ME650477	1.09	1.06	0.86
D-Biotin	ME650362	1.07	1.06	0.80
Spermidine+0.7562499	ME650624	1.04	1.08	0.84
Aminosalicylicacid+1.660612	ME650299	1.06	1.09	0.86
Mannitol	ME650503	1.08	1.09	0.84
2-Methylbutyrylglycine+0.9057921	ME650195	1.07	1.08	0.83
MetHisLys+9.901607	ME650516	1.07	1.08	0.84
Bis(2-hydroxypropyl)amine	ME650324	1.12	0.99	0.89
D-Leucicacid+3.4208822	ME650391	1.12	1.00	0.89
4-(diaminomethylideneamino)butanoicacid	ME650232	1.14	0.98	0.86
Ethambutolaldehyde	ME650406	1.14	0.98	0.88
AsnGlySer	ME650307	1.13	0.99	0.83
TyrProArg	ME650644	1.12	1.01	0.83
1-Aminocyclopropane-1-carboxylicacid	ME650151	1.15	1.04	0.81
Dihydrolevobunolol	ME650382	1.17	1.02	0.81
dimethylsulfoxide	ME650387	1.07	1.16	0.77
16,16-dimethyl-PGF2beta+11.429014	ME650141	1.13	1.18	0.74
MYCOPHENOLICACID+5.6754255	ME650526	1.12	1.12	0.75
GABOXADOL	ME650416	1.23	1.06	0.70
7alpha-(Thiomethyl)spironolactone	ME650260	1.21	1.14	0.70
Phenylalanine+3.1124516	ME650580	1.17	1.10	0.69
MetHisLys+9.8822365	ME650515	0.92	1.35	0.75
2-Butanone,4-[6-(sulfooxy)-2-naphthalenyl]-	ME650182	0.88	1.23	0.91
Pyroglutamicacid+1.5233006	ME650610	0.90	1.18	0.91
Tetrahydrofuran	ME650628	0.97	1.22	0.82
Zalcitabine+1.1630843	ME650668	0.97	1.20	0.80
12-oxo-10Z-dodecenoicacid	ME650132	0.97	1.22	0.80
cyclohexylammonium	ME650355	0.98	1.21	0.80
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)	ME650552	0.95	1.19	0.85
ANETHOLE	ME650301	0.94	1.22	0.88
(R)-(+)-Citronellal	ME650126	0.92	1.22	0.85
alpha,alpha-Trehalose	ME650295	1.04	1.20	0.82
Niacinamide	ME650550	0.99	1.14	0.81
AlaAlaAsp	ME650293	1.00	1.15	0.84
Perindopril+13.513286	ME650574	1.00	1.13	0.85
4-Hydroxypyridine	ME650239	0.79	1.29	1.02
n-HexanoicAcid+3.6519935	ME650549	0.69	1.36	1.03
L-Glutamicaciddibutylester+5.189158	ME650488	0.58	1.08	1.21
12-amino-dodecanoicacid	ME650131	0.83	1.02	1.16
Urea+0.72563285	ME650648	0.86	1.03	1.20
LEVULINICACID,3-BENZYLIDENYL-+11.658154	ME650482	0.75	1.10	1.17
Isoniazid+3.4042652	ME650464	0.82	1.14	1.13
PISCIDICACID+0.9124123	ME650592	0.83	1.08	1.11
Urea	ME650646	0.83	1.10	1.12
2-Amino-3-methyl-1-butanol+1.045414	ME650179	0.58	0.77	1.68
Acetoin+3.9354725	ME650288	0.86	0.63	1.52
dihydro-alpha-ergocryptine	ME650381	0.77	0.59	1.63
3-oxo-4-pentenoicacid	ME650230	0.70	0.68	1.63
ProHis	ME650594	0.76	0.69	1.57
Proline+2.0194335	ME650597	1.13	0.58	1.16
Gamma-Glu-Leu	ME650418	1.25	0.59	1.18
N-Acetyltranylcypromine	ME650542	1.28	0.51	1.21
Ethosuximide	ME650407	0.98	0.52	1.44
ARECOLINE	ME650304	0.93	0.57	1.30
Methionine	ME650509	0.97	0.54	1.28
Anthracene	ME650303	0.44	1.42	1.34
IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-dimethoxy-6-methyl-)+5.7281647	ME650451	0.88	1.46	0.57
2-Methylindoline	ME650198	0.64	1.67	0.74
Tranexamicacid+3.9845319	ME650632	0.72	1.64	0.60
ANISOMYCIN	ME650302	0.87	1.64	0.81
2-Methylbutyrylglycine	ME650194	0.70	1.50	0.81
MetHisLys+9.714662	ME650514	0.80	1.45	0.81

Factors:

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

Data matrix