Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Identification of altered metabolic pathways in Alzheimer's disease, mild cognitive impairment and cognitively normals using Metabolomics (CSF) (Study ST000047)

MS negative ion mode/C18 (Analysis AN000082)

Metabolite	Structure	F1	F2	F3
1-Hydroxy-2-naphthoicacid-1.5557164	ME651177	1.59	0.63	0.31
beta-hydroxybutyrate	ME651253	1.43	1.18	0.44
Phenol-3.8949444	ME651375	1.31	0.82	0.62
Phenylsulfate-3.894887	ME651377	1.55	0.89	0.63
cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylicacid	ME651264	1.03	1.50	0.58
Pyruvicacid	ME651393	0.82	1.58	0.59
MethoxsalenMetabolite	ME651350	0.76	0.75	1.43
ISOEUGENITOL	ME651329	0.89	0.65	1.58
Lipoamide	ME651342	0.89	0.69	1.49
Succinicanhydride-1.0287684	ME651406	1.10	0.37	1.55
2-Furoicacid-1.0400704	ME651187	0.93	0.55	1.27
threo-Isocitricacid-1.0347548	ME651411	1.00	0.53	1.47
Citraconicacid	ME651267	0.95	0.49	1.45
Pyruvicacid-1.0026177	ME651394	0.98	0.48	1.45
Pyroglutamicacid-1.3865262	ME651391	0.59	1.04	1.35
Imidazolone	ME651323	0.56	1.21	0.87
Pyruvicacid-1.127027	ME651395	1.14	0.46	1.00
beta-Alanine	ME651248	1.16	0.65	1.11
N-Didesethylquinagolide	ME651361	1.16	0.67	1.16
beta-D-Glucopyranosiduronicacid,2-(1H-indol-4-yloxy)-1-[[(1-methylethyl)amino]methyl]ethyl-10.241287	ME651252	1.13	0.76	1.09
Ribonicacid-3.0933578	ME651400	1.18	0.74	1.05
(S)-2-Hydroxyglutarate	ME651169	1.36	0.81	0.94
4-Hydroxytacrine	ME651209	1.15	0.88	0.94
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine	ME651362	1.19	0.88	0.93
3-(a-Naphthoxy)lacticacid	ME651199	1.20	0.78	0.96
OSTHOL	ME651365	1.26	0.83	0.95
PYROGALLIN	ME651389	1.13	1.11	0.63
DICHLORODIPHENYLTRICHLOROETHANE	ME651284	1.08	1.14	0.74
AspAsp	ME651238	1.07	1.13	0.78
S-Succinyldihydrolipoamide	ME651404	1.08	1.12	0.80
3-Dehydroquinicacid	ME651202	1.11	1.08	0.72
PURPUROGALLIN	ME651386	1.15	1.15	0.71
2H-1-Benzopyran-6-aceticacid,7-hydroxy-8-methoxy-2-oxo-	ME651189	1.16	1.12	0.74
Glucoheptonicacid	ME651302	1.14	1.11	0.73
Diacetyl-1.2288649	ME651283	0.98	1.20	0.83
Melphalan	ME651348	1.01	1.18	0.79
SM(d18:0/16:0)	ME651403	1.03	1.08	0.86
ethylmalonicacid	ME651298	0.99	1.11	0.84
Pyroglutamicacid	ME651390	1.02	1.14	0.83
4-Methylumbelliferylbeta-D-glucuronide	ME651210	0.96	1.07	0.84
AsnGlnGln	ME651237	0.95	1.10	0.91
1-Hydroxy-2-naphthoicacid-1.3924078	ME651176	0.99	1.10	0.88
BENZANTHRONE	ME651242	0.97	1.11	0.89
cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylicacid-0.9427811	ME651265	0.87	1.23	0.78
D1-2-Hydroxymethylethisterone-11.336955	ME651273	0.93	1.30	0.80
Isoacitretin	ME651325	0.77	1.25	0.91
Gummiferol	ME651320	0.85	1.26	0.91
Pyroglutamicacid-1.5248408	ME651392	0.82	1.23	0.94
Atovaquone	ME651241	0.94	1.29	0.92
ProHisTrp	ME651381	0.95	1.18	0.93
2,5-Dimethoxycinnamicacid	ME651183	0.96	1.18	0.90
Acetoin	ME651223	0.93	1.17	0.90
beta-D-Glucopyranosiduronicacid,2-(1H-indol-4-yloxy)-1-[[(1-methylethyl)amino]methyl]ethyl	ME651251	0.88	1.18	0.93
altretamine	ME651234	0.89	1.21	0.92
PenicillinG	ME651373	0.89	1.21	0.90
3-Methylpimelicacid	ME651204	1.14	0.89	1.03
AlaPheArg	ME651230	1.09	0.90	1.01
D1-2-Hydroxymethylethisterone-11.481426	ME651274	1.04	0.92	1.04
4,4-Bis(p-fluorophenyl)butyricacid	ME651206	1.07	0.91	1.02
Isoacitretin-10.681391	ME651326	1.06	0.92	1.01
2,4-DINITROPHENOL	ME651182	1.05	0.93	1.02
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl-Pentanoicacid(GemfibrozilM4)	ME651212	1.06	0.93	1.02
Taurine	ME651408	1.08	0.84	1.04
D1-2-Hydroxymethylethisterone	ME651272	1.06	0.88	1.06
Zalcitabine	ME651417	1.05	0.87	1.09
m-Salicylicacid	ME651357	1.08	1.01	0.93
OXOLINICACID	ME651370	1.07	1.00	0.92
Pseudouridine	ME651385	1.07	0.97	0.95
Deoxyribose	ME651277	1.08	0.98	0.94
Ellagicacid	ME651291	1.07	0.99	0.95
5,6-Dihydrouridine	ME651211	1.09	0.93	0.98
Dihydromyricetin	ME651285	1.08	0.95	0.97
Acipimox	ME651226	1.10	0.96	0.94
CerP(d18:1/22:0)	ME651260	1.09	0.94	0.92
Diacetyl-1.0001581	ME651282	1.09	0.94	0.94
alpha-hydroxyisobutyrate-2.5388858	ME651233	1.11	1.00	0.89
Iridotrialglucoside	ME651324	1.10	1.00	0.86
TrpProHis-10.745563	ME651414	1.17	0.96	0.88
1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine	ME651171	1.15	0.99	0.85
Acetoaceticacid-1.2563984	ME651222	1.16	0.98	0.85
Diphenylmethylphosphineoxide	ME651290	0.83	1.16	1.02
(R)-3-Methyl-2-oxobutanoate	ME651168	0.84	1.07	0.96
BENZANTHRONE-2.6784797	ME651243	0.88	1.12	1.00
Glutaconicacid-1.6951267	ME651305	0.90	1.11	0.99
Lactaldehyde-2.5392027	ME651335	0.90	1.12	0.99
N-Acetyl-L-Histidine	ME651360	0.89	1.15	0.96
AspAsp-0.9946096	ME651239	0.91	1.14	0.98
Glutamicacidg-semialdehyde	ME651308	0.91	1.14	0.97
GPSer(18:1(9Z)/18:2(9Z,12Z))[U]	ME651318	0.91	1.12	1.03
Pyruvicacid-3.0151846	ME651397	0.89	1.08	1.06
a-hydroxybutyrate	ME651227	0.89	1.08	1.03
Glutaconicacid-1.7573386	ME651306	0.88	1.10	1.04
ProLysPro	ME651382	0.86	1.05	1.06
TacrolimusmetaboliteM-IV	ME651407	0.84	1.07	1.02
MetGluLys	ME651349	0.95	1.05	1.00
Cilastatin	ME651263	0.94	1.05	1.01
Erythromycin	ME651297	0.94	1.05	1.00
Deoxyuridinemonophosphate(dUMP)	ME651279	0.98	1.05	0.97
Acetylaminodantrolene	ME651225	0.96	1.07	0.98
BENZANTHRONE-3.5734656	ME651246	0.96	1.06	0.98
ISOLIQUIRITIGENIN	ME651330	0.96	1.04	1.00
Glycolicacid	ME651314	0.96	1.05	0.99
Creatine	ME651269	0.97	1.05	0.98
2-Pyrrolidinone	ME651198	0.97	1.04	0.99
Glycolaldehyde	ME651313	0.97	1.04	0.99
Acetazolamide	ME651220	0.92	1.05	0.97
Threonate	ME651412	0.92	1.09	1.00
BENZANTHRONE-3.7885036	ME651247	0.93	1.07	1.00
Parahydroxyphenylaceticacid	ME651372	0.92	1.07	1.01
8-hydroxymianseringlucuronide	ME651218	0.93	1.12	0.95
B-ureidoisobutyricacid	ME651257	0.94	1.11	0.95
BENZANTHRONE-3.2888675	ME651244	0.94	1.09	0.97
EPIAFZELECHIN(2R,3R)(-)	ME651296	0.94	1.08	0.97
beta-Alanine-0.95868075	ME651249	0.96	1.09	0.95
Glycericacid	ME651311	0.95	1.09	0.96
Methylglyoxal	ME651352	1.01	1.09	0.91
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonide	ME651214	0.99	1.10	0.95
Phenol	ME651374	0.99	1.09	0.94
1-Hydroxy-2-naphthoicacid-3.249221	ME651179	0.98	1.07	0.95
1-Hydroxy-2-naphthoicacid	ME651175	0.99	1.06	0.95
Methylglyoxal-1.2867774	ME651354	0.99	1.06	0.94
Lipoamide-0.91015834	ME651343	1.04	1.01	0.94
N-Lignoceroylsphingosine	ME651363	1.03	1.01	0.95
Creatinine	ME651270	1.04	0.99	0.96
Tetrahydrofuran	ME651409	1.05	1.00	0.95
1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol	ME651172	1.04	1.00	0.98
Embelin-9.5837	ME651295	1.02	1.00	0.98
6-Hydroxynicotinicacid	ME651215	1.02	1.01	0.97
clavuloneI	ME651268	1.01	1.01	0.98
Dihydroxyacetone(glycerone)-1.2817216	ME651287	1.01	1.05	0.94
2-Keto-glutaramicacid	ME651194	1.01	1.04	0.96
Fenofibrate	ME651299	1.02	1.03	0.95
Hydroxythiopental	ME651322	1.03	1.03	0.95
GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ME651317	1.04	1.03	0.93
Oxipurinol-1.6297603	ME651369	1.03	1.03	0.93
Arginine	ME651236	1.04	1.06	0.91
alpha-hydroxyisobutyrate-1.2596271	ME651232	1.03	1.05	0.93
GlyTyrAsn	ME651316	1.03	1.06	0.92
Sedoheptulose	ME651402	1.01	0.98	1.03
L-gamma-Cyano-gamma-aminobutyricacid	ME651341	1.01	0.97	1.02
Chloralhydrate	ME651261	1.01	0.98	1.02
Bromopyruvicacid	ME651256	1.01	0.98	1.01
glyceraldehyde	ME651310	1.01	0.98	1.01
1-Hydroxy-2-naphthoicacid-2.9663975	ME651178	1.03	0.97	1.00
3-Methylsubericacid	ME651205	1.02	0.97	1.00
AspGlu	ME651240	1.02	0.97	1.01
LysTrpArg	ME651345	1.03	0.97	1.01
L-Asparticacidb-semialdehyde-1.218115	ME651338	1.03	0.99	1.00
3-Deoxy-D-glycero-D-galacto-2-nonulosonicacid	ME651203	1.01	0.98	1.00
2-Hydroxyethinylestradiol-10.332443	ME651193	1.02	0.98	1.00
methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	ME651351	1.02	0.98	1.00
cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylicacid-1.3130308	ME651266	1.01	0.99	1.00
Embelin-14.146105	ME651294	1.02	0.99	1.00
Gulonicacid	ME651319	1.05	0.95	1.00
Isoacitretin-10.914413	ME651327	1.04	0.96	1.00
6-Methoxy-2-naphthylaceticacid	ME651216	1.05	0.98	0.97
a-hydroxyisovalerate-3.5743096	ME651229	1.05	0.98	0.98
ANABASAMINE	ME651235	1.05	0.97	0.98
Uricacid	ME651416	1.05	0.96	0.98
beta-Alanine-2.1040177	ME651250	0.97	0.98	1.05
4-Amino-7-chloroquinoline	ME651208	0.98	0.98	1.04
p-HYDROXYCINNAMALDEHYDE	ME651379	0.98	0.98	1.03
D-Homoserine	ME651280	1.01	0.96	1.03
Chlorogenicacid	ME651262	0.99	0.97	1.04
Histidine	ME651321	1.00	0.97	1.03
D-Biotin	ME651275	0.94	1.02	1.03
LysTrpArg-12.785133	ME651346	0.96	1.02	1.03
MetLysSer	ME651355	0.96	1.03	1.01
Deoxyribose-2.4220703	ME651278	0.96	1.03	1.01
Glyoxylicacid	ME651315	0.96	1.03	1.01
Glycine	ME651312	0.95	1.03	1.02
N-Acetyl-a-neuraminicacid	ME651358	0.95	1.03	1.02
2-amino-4^-hydroxy-Propiophenone	ME651185	0.96	1.01	1.02
2-Hydroxyethanesulfonate	ME651191	0.97	1.01	1.02
threo-Isocitricacid	ME651410	0.97	1.01	1.01
Oxaloglutarate	ME651367	0.97	1.02	1.01
2H-Indol-2-one,4-[2-(dipropylamino)ethyl]-1,3-dihydro-7-hydroxy-glucuronide	ME651190	0.97	1.02	1.01
Metyrosine	ME651356	0.97	1.02	1.01
Embelin	ME651292	1.00	1.00	1.00
1-Aminocyclopropane-1-carboxylicacid	ME651174	0.99	1.00	1.00
ORTHOTHYMOTINICACID	ME651364	0.99	1.00	1.01
Ceramide(d18:1/26:1(17Z))	ME651259	0.99	1.00	1.01
9(S)-HODE-d4	ME651219	0.99	1.00	1.01
BENZANTHRONE-3.462548	ME651245	0.99	1.00	1.01
2-propyl-tridecanoicacid	ME651197	1.00	0.99	1.01
Lauricacid	ME651339	0.99	0.99	1.01
Dihydroxyacetone(glycerone)	ME651286	0.99	0.99	1.03
Embelin-10.833458	ME651293	0.99	0.99	1.02
Acetoin-3.5720763	ME651224	0.98	1.01	1.02
4,8-dimethyl-dodecanoicacid	ME651207	0.99	1.00	1.02
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyaceticacid	ME651180	0.98	1.00	1.02
7-hydroxy-10E,16-heptadecadien-8-ynoicacid	ME651217	0.98	1.00	1.02
Procarbazine	ME651380	0.99	1.03	0.98
Propionylglycinemethylester	ME651383	1.00	1.03	0.98
L-arabitol	ME651336	0.98	1.02	1.00
Mannitol	ME651347	0.98	1.02	0.99
Phenylsulfate	ME651376	0.99	1.02	0.99
1alpha,25-dihydroxy-11alpha-phenylvitaminD3/1alpha,25-dihydroxy-11alpha-phenylcholecalciferol	ME651173	0.99	1.02	0.99
KOBUSONE	ME651332	0.99	1.02	0.99
2-Furoicacid-1.418544	ME651188	0.93	0.92	1.13
Acetoaceticacid	ME651221	0.96	0.91	1.12
isoamylnitrite	ME651328	0.95	0.97	1.08
Ribulose	ME651401	0.95	0.95	1.10
Fenoterolsulfate	ME651300	1.01	0.94	1.06
Leucine	ME651340	0.97	0.94	1.09
Phosphatidylglycerol	ME651378	0.99	0.94	1.08
Tryptophan	ME651415	0.98	0.94	1.08
2-Amino-3-hydroxy-5-nitrobenzophenone	ME651184	0.90	0.96	1.12
Oxipurinol	ME651368	0.89	0.98	1.13
Dehydroascorbicacid	ME651276	0.91	0.99	1.10
ISOPIMPINELLIN	ME651331	0.92	0.96	1.10
Ribonicacid	ME651399	0.92	0.97	1.11
Glutaconicacid	ME651303	0.87	1.02	1.11
L-2-Aminoadipicacid	ME651333	0.88	0.99	1.09
Lactaldehyde	ME651334	0.91	1.04	1.02
Pyrocatecholsulfate	ME651388	0.92	1.04	1.03
N-Acetylgalactosamine4-sulphate	ME651359	0.93	1.04	1.04
Diacetyl	ME651281	0.92	1.04	1.04
Glutaral(Glutaraldehyde)	ME651309	0.92	1.05	1.04
2,3-Dioxogulonicacid	ME651181	0.90	1.03	1.07
2-Furoicacid	ME651186	0.90	1.02	1.08
Succinicanhydride	ME651405	0.91	1.03	1.05
L-Asparticacidb-semialdehyde	ME651337	0.90	1.05	1.06
PROTOVERATRINEA	ME651384	0.90	1.04	1.06
2-Hydroxyethinylestradiol	ME651192	0.95	0.99	1.06
TrpProHis	ME651413	0.95	0.98	1.06
L-Serine	ME651344	0.95	1.00	1.05
Pyruvicacid-1.2604657	ME651396	0.96	1.00	1.05
Biotinamide	ME651255	0.92	0.99	1.08
Glutaconicacid-1.257499	ME651304	0.93	1.00	1.07
Glutamate	ME651307	0.93	1.01	1.05
Furan2,5-dicarboxylicacid	ME651301	0.91	1.01	1.07
Oxalaceticacid	ME651366	0.92	1.02	1.06
2-Methyl-3-ketovalericacid-3.9406526	ME651196	1.04	0.72	1.24
Quinicacid	ME651398	1.00	0.88	1.10
2-Methyl-3-ketovalericacid	ME651195	1.02	0.84	1.15
alpha-hydroxyisobutyrate	ME651231	1.00	0.86	1.14
,4-Dihydroxyphenylpropionicacid	ME651170	0.94	0.89	1.19
6,7-DICHLORO-3-HYDROXY-2-QUINOXALINECARBOXYLICACID	ME651213	0.96	0.84	1.22
Dihydroxyacetone(glycerone)-1.4241207	ME651289	0.98	0.80	1.24
Methylglyoxal-1.0395479	ME651353	0.81	0.97	1.17
Cer(d18:0/18:0)	ME651258	0.85	0.98	1.19
PantothenicAcid	ME651371	0.87	0.97	1.15
Pyrocatechol	ME651387	0.87	0.97	1.17
3-Amino-3-(4-hydroxyphenyl)propanoate	ME651201	0.88	0.93	1.19
b-Glucose	ME651254	0.90	0.94	1.15
a-hydroxyisovalerate	ME651228	0.75	1.04	1.21
Dihydroxyacetone(glycerone)-1.3654007	ME651288	0.72	1.11	1.15
3-(Imidazol-4-yl)-2-oxopropylphosphate	ME651200	0.76	1.09	1.12
cysteine	ME651271	0.79	1.09	1.11

Factors:

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

Data matrix