Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000046)

MS positive ion mode/HILIC (Analysis AN000077)

Metabolite	Structure	F1	F2	F3
(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitaminD3/(24S)-1alpha,24-dihydroxy-22-oxa-20-epicholecalc	ME648816	0.27	0.35	6.42
2-Methylbutyrylglycine+6.5558777	ME648898	1.89	0.81	0.48
Azatadine	ME649009	2.00	0.13	0.80
8-Amino-7-oxononanoate	ME648973	2.77	0.25	0.19
ACECLIDINE	ME648984	2.46	0.33	0.26
N-HISTIDYL-2-AMINONAPHTHALENE(betaNA)	ME649198	2.31	0.36	0.42
Netilmicin	ME649194	0.33	0.38	2.31
ProHis	ME649228	0.42	0.58	2.01
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.175578	ME648841	1.16	1.40	0.48
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ME649109	1.20	1.69	0.44
Bilirubin	ME649014	0.36	2.24	0.40
BiliverdinIX+1.4045436	ME649017	0.54	1.65	0.79
Glutaral(Glutaraldehyde)+6.687109	ME649107	0.52	1.82	0.64
8R-hydroxy-9Z-octadecenoicacid	ME648977	0.84	1.61	0.39
Urea	ME649288	0.68	1.65	0.40
6alpha-Hydroxycastasterone+1.0918373	ME648967	0.66	1.94	0.42
Urocanicacid+2.856702	ME649293	0.51	1.79	0.42
3,4,5-Trimethoxycinnamicacid	ME648912	0.47	1.14	1.22
10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid	ME648835	0.56	1.07	1.53
GPEtnNMe(18:2(9Z,12Z)/18:2(9Z,12Z))[U]	ME649116	0.46	1.16	1.41
4,8,12,15,19,21-tetracosahexaenoicacid	ME648934	1.51	0.87	0.62
ProTyr	ME649236	1.56	0.79	0.72
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitaminD3/1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c	ME648856	1.15	1.25	0.65
14-hydroxy-12-tetradecenoicacid	ME648846	1.32	1.11	0.59
Triparanol+6.739891	ME649271	1.26	1.16	0.58
N-methyl-Gabapentin	ME649201	1.21	1.09	0.72
4-Pyridoxicacid+2.8116002	ME648949	1.25	1.05	0.77
ANISOMYCIN	ME649003	1.26	1.04	0.72
1,4-Methylimidazoleaceticacid	ME648833	1.17	1.12	0.66
Vigabatrin+6.2900124	ME649302	1.25	1.10	0.64
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid	ME648809	1.34	0.99	0.67
Carbaryl	ME649033	1.33	0.93	0.75
OLEANANOICACIDACETATE	ME649208	1.41	0.93	0.74
Propionylglycinemethylester+3.163646	ME649232	1.49	1.13	0.55
1alpha,18-dihydroxyvitaminD_3/1alpha,18-dihydroxycholecalciferol	ME648849	1.38	0.99	0.60
N^-5Z,8Z,11Z,14Z-eicosatetraenoyl-N^^-diethyl-ethylenediamine	ME649187	1.43	1.01	0.55
1-Phenyl-2-(diethylamino)-1-propanol	ME648872	0.87	1.15	0.80
Chloramphenicolalcohol	ME649038	0.97	1.21	0.81
Nadolol	ME649190	0.98	1.21	0.80
9-chloro-10-hydroxy-hexadecanoicacid	ME648979	0.96	1.26	0.74
3E,5E-tridecadienoicacid	ME648922	0.94	1.26	0.78
Leucine+6.7406497	ME649157	0.93	1.27	0.77
4-undecynoicacid	ME648950	1.04	1.21	0.67
Tranexamicacid+1.6364517	ME649264	0.99	1.26	0.64
5-(hydroxymethyl)-2-Furancarboxylicacid	ME648952	1.01	1.10	0.71
Rimiterol	ME649248	0.95	1.20	0.69
Ectoine	ME649087	0.98	1.17	0.71
Trihydroxycoprostanoicacid	ME649267	0.98	1.17	0.74
3-Amino-2-piperidone	ME648917	0.90	1.35	0.80
Buprenorphine+6.5073805	ME649026	0.86	1.37	0.75
4-dodecynoicacid	ME648941	0.78	1.36	0.79
HECOGENINACETATE	ME649121	0.81	1.32	0.84
7,12-Dioxo-5beta-cholan-24-oicAcid	ME648970	0.83	1.34	0.80
N,O-Didesmethylvenlafaxine	ME649183	0.85	1.30	0.80
Glycoursodeoxycholicacid	ME649108	1.02	1.39	0.66
MetTrpGln	ME649176	0.86	1.41	0.66
Urocanicacid	ME649292	0.93	1.40	0.67
D-Leucicacid	ME649083	0.76	1.52	0.95
Nalorphine	ME649191	0.65	1.47	0.83
2-Methylbutyrylglycine+2.0774822	ME648896	0.76	1.44	0.78
Salicyluricacid	ME649249	0.75	1.46	0.85
TEGASEROD	ME649255	0.80	1.48	0.85
n-HexanoicAcid	ME649197	0.70	1.52	0.73
Norcodeine	ME649204	0.67	1.60	0.80
Anandamide(20:2,n-6)	ME648999	0.73	1.60	0.60
9-chloro-10-hydroxy-hexadecanoicacid+1.4075756	ME648980	0.77	1.63	0.75
Dihydroxylycopene/OH-Rhodopin	ME649072	0.79	1.60	0.68
4-Pyridoxicacid	ME648948	0.56	1.46	1.12
Hypoxanthine	ME649126	0.62	1.37	0.99
Vigabatrin	ME649301	0.79	1.21	0.99
3^-Methoxy-E,E-dienoestrol	ME648925	0.76	1.29	0.98
9R-hydroxy-10E-octadecenoicacid	ME648983	0.75	1.28	1.01
Acetamide	ME648985	0.83	1.37	0.97
C17Sphinganine	ME649028	0.74	1.39	0.99
12-amino-dodecanoicacid	ME648838	0.72	1.33	0.95
12-oxo-9-octadecynoicacid	ME648843	0.71	1.37	0.89
4,7,10,13,16-docosapentaenoicacid	ME648932	1.09	1.08	0.79
IsoquinolineN-oxide	ME649145	1.11	1.11	0.78
BiliverdinIX+3.9496963	ME649021	1.10	1.12	0.86
Creatinine	ME649043	1.07	1.08	0.84
Lacticacid	ME649153	1.11	1.08	0.85
D-Homogesterone	ME649059	1.14	1.17	0.74
10,12,15-octadecatrienoicacid	ME648834	1.06	1.14	0.79
Hypoxanthine+2.7105587	ME649127	1.08	1.17	0.76
Chloramphenicolalcohol+3.2187703	ME649039	1.27	0.95	0.81
KOBUSONE	ME649149	1.23	0.96	0.80
L-gamma-Cyano-gamma-aminobutyricacid	ME649163	1.23	0.96	0.82
(10E)-19-fluorovitaminD3/(10E)-19-fluorocholecalciferol	ME648808	1.20	1.01	0.83
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy	ME648853	1.18	1.01	0.83
2-Hydroxyadipicacid+2.74419	ME648892	1.19	0.98	0.87
Glucosamine	ME649103	1.21	0.98	0.84
campesta-5,22E-dien-3beta-ol	ME649031	1.20	0.90	0.88
TROMETHAMINE+5.827722	ME649278	1.21	0.91	0.91
2R-aminoheptanoicacid+6.352442	ME648907	1.16	0.90	0.90
1-Methylinosine	ME648867	1.15	0.92	0.93
Phenacetine	ME649218	1.14	0.92	0.92
(E)-2-Methylglutaconicacid	ME648819	1.06	1.02	0.89
Ubiquinone	ME649285	1.09	1.04	0.87
ISOSAFROLE	ME649146	1.11	1.01	0.88
Terephthalicacid	ME649257	1.11	1.00	0.89
2,5-decadienoicacid	ME648874	1.08	1.02	0.89
DIHYDRO-OBLIQUIN	ME649071	1.09	1.02	0.89
LeuPro	ME649159	1.09	1.02	0.88
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)	ME649200	1.09	1.03	0.88
Proline	ME649229	1.09	1.01	0.90
Ubiquinone+1.1367501	ME649286	1.10	1.02	0.90
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin	ME648951	1.12	0.95	0.91
LeuPro+8.030013	ME649160	1.13	0.96	0.90
N2,N2-Dimethylguanosine	ME649186	1.14	0.96	0.91
3,6,8-dodecatrien-1-ol	ME648914	1.13	0.97	0.93
Caffeine	ME649030	1.11	0.97	0.92
4-Hydroxybenzylcyanide	ME648942	1.11	0.97	0.92
Acipimox	ME648992	1.11	0.97	0.92
9-hydroxy-12-oxo-10-octadecenoicacid	ME648981	1.13	1.00	0.91
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituricacid	ME648956	1.12	0.98	0.90
Pyroglutamicacid	ME649243	1.12	0.98	0.89
DL-2-Aminooctanoicacid	ME649080	1.14	0.98	0.88
L-Glutamicaciddibutylester	ME649165	1.14	0.98	0.87
12-Ketodeoxycholicacid	ME648842	1.13	0.97	0.88
Tranexamicacid+6.7028675	ME649265	1.14	0.97	0.89
Dimethylglycine+6.2130203	ME649077	1.12	1.03	0.81
Pinacidil	ME649224	1.15	1.02	0.83
TROMETHAMINE+6.2190123	ME649280	1.15	1.02	0.84
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine	ME649196	1.13	1.00	0.86
5-oxo-7-octenoicacid	ME648961	1.12	1.00	0.83
Ergoline-8-methanol,10-methoxy-1,6-dimethyl-	ME649091	1.11	1.00	0.83
HARMINE	ME649120	1.13	1.00	0.78
(20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitaminD3/(20R)-1alpha,25-dihydroxy-20-	ME648810	1.16	1.03	0.78
4-Hydroxybenzylcyanide+6.59952	ME648943	1.17	1.04	0.78
Pyrazinoicacid	ME649240	1.13	0.95	0.93
3-Nitrotyrosine	ME648926	1.12	0.95	0.94
6,8,10,12-pentadecatetraenal	ME648963	1.11	0.95	0.94
o-Hydroxyaniline	ME649207	1.10	0.94	0.96
3-dodecynoicacid	ME648920	1.11	0.94	0.96
D-Glucose	ME649057	1.11	0.94	0.95
1-Methyladenosine	ME648864	1.10	0.95	0.95
LEVULINICACID,3-BENZYLIDENYL-	ME649162	1.10	0.96	0.94
2-Pyrrolidinone+3.786596	ME648905	1.08	0.93	0.96
EthosuximideM7	ME649096	1.09	0.93	0.96
Ecgonine-methylester	ME649086	1.07	0.95	0.98
5-Acetyl-4-methylthiazole	ME648955	1.07	0.93	0.98
B-ureidoisobutyricacid	ME649027	1.06	0.94	0.98
Propofol	ME649234	1.10	0.92	1.00
1-Methylguanine	ME648865	1.09	0.93	0.98
isoamylnitrite	ME649139	1.09	0.91	0.98
Dimethylglycine+2.050125	ME649074	1.11	0.90	0.95
5-Methylthioribose	ME648957	1.12	0.91	0.97
Bilirubin+3.949239	ME649015	1.11	0.92	0.97
Pinacidil-N-Oxide	ME649226	1.10	0.92	0.97
1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol	ME648827	1.06	0.94	1.01
11-deoxy-PGE2	ME648837	1.09	0.95	1.02
TROMETHAMINE+5.1856112	ME649274	1.08	0.93	1.02
Diacetyl+2.5974343	ME649061	1.03	0.92	1.03
Pyridine	ME649241	1.04	0.93	1.03
Methylglyoxal+2.6626153	ME649175	1.07	0.91	1.02
CysAsnThr	ME649049	1.06	0.91	1.04
n-methylnicotinamide	ME649202	1.06	0.91	1.04
Ketaminemetabolite(Cyclohexanone,2-(2-chlorophenyl)-5-hydroxy-2-(methylamino)-)	ME649148	1.07	0.90	0.99
Diethanolamine+5.649868	ME649065	1.09	0.89	1.00
GluGlu	ME649105	1.08	0.90	1.01
Amiloride	ME648998	1.10	0.87	1.03
dimethylsulfoxide	ME649079	1.12	0.88	1.02
TROMETHAMINE+5.4366517	ME649275	1.12	0.89	1.00
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]	ME648958	0.97	0.98	1.05
Purine+1.0468682	ME649239	0.96	0.96	1.08
4-Aminobutyraldehyde+6.510029	ME648940	0.98	0.97	1.08
(3-Methoxy-4-hydroxyphenyl)ethyleneglycolsulfate	ME648818	0.97	0.97	1.07
cyclohexylammonium+2.7358363	ME649047	0.97	0.97	1.06
C20-OHSulfatide	ME649029	0.99	0.96	1.04
Purine	ME649237	0.99	0.96	1.05
ValHisAsn	ME649296	0.99	0.96	1.05
3,4-Dihydrospirilloxanthin	ME648913	1.00	0.96	1.03
Leucine	ME649154	1.00	0.97	1.04
Indoleacrylicacid+5.505976	ME649136	0.99	0.94	1.06
LysHisMet	ME649170	0.99	0.95	1.06
Quinone	ME649247	1.00	0.95	1.04
2-Aminopropanol+6.3286147	ME648886	1.00	0.95	1.05
6-Formylindolo[3,2-B]carbazole	ME648968	1.00	0.94	1.05
Dimethylglycine	ME649073	1.02	0.94	1.05
Phenylethylmalonamide(PEMA)	ME649219	1.00	0.92	1.06
Taurine	ME649254	1.02	0.92	1.07
Trimethylamine	ME649268	0.97	1.01	1.02
Diacetyl+2.7385557	ME649062	0.97	1.00	1.02
Valine	ME649297	0.97	1.00	1.02
Diethanolamine+5.8253593	ME649066	0.96	1.01	1.03
Proline+1.2899779	ME649230	0.96	1.00	1.03
p-Coumaricacid	ME649214	0.98	0.99	1.03
1-Hexadecyl-2-arachidonoyl-glycerol	ME648860	0.98	0.99	1.02
L-gamma-Cyano-gamma-aminobutyricacid+1.2438003	ME649164	0.98	1.00	1.02
GPEtn(18:0/18:3(9Z,12Z,15Z))[U]	ME649111	0.98	0.98	1.04
2-Amino-3-methyl-1-butanol	ME648883	0.99	0.98	1.03
Phenylmethylmethylketone	ME649220	0.98	0.98	1.03
CysIleHis	ME649050	1.03	0.96	1.02
3-Aminoquinoline	ME648918	1.02	0.96	1.03
Triparanol	ME649269	1.02	0.96	1.02
TROMETHAMINE+6.6530137	ME649281	1.02	0.96	1.02
2-Pyrrolidinone	ME648901	1.02	0.97	1.01
Triparanol+7.1791935	ME649272	1.02	0.98	1.00
Acetoaceticacid	ME648988	1.01	0.98	1.02
N-Acetylarylamine	ME649188	1.01	0.98	1.01
Mefloquine	ME649172	1.01	0.99	1.01
Benserazide	ME649010	1.00	0.99	1.01
Leucine+5.7213707	ME649156	1.00	0.99	1.01
Diacetyl	ME649060	1.01	1.00	0.99
Lorazepamglucuronide	ME649166	1.01	1.00	0.99
Acetoin+1.2081687	ME648990	1.01	0.99	0.99
8-Amino-7-oxononanoate+7.294702	ME648974	1.02	0.99	0.99
AlaSerTrp	ME648996	1.02	0.99	0.99
4-(diaminomethylideneamino)butanoicacid	ME648930	1.03	0.99	0.98
8-Hydroxypromazine	ME648975	1.03	0.99	0.97
Hydroxyhydroquinone	ME649124	1.02	1.00	0.97
Isoquinoline	ME649144	1.02	1.00	0.98
Valine+6.60313	ME649298	1.02	1.00	0.98
pentanamide	ME649215	0.99	1.01	1.00
beta-Alanine+6.93935	ME649012	1.00	1.01	0.99
2R-aminoheptanoicacid	ME648906	1.00	1.00	1.00
Bis(2-hydroxypropyl)amine+5.6003766	ME649024	1.00	1.00	1.00
Isopentenyladenine	ME649143	1.00	1.02	0.98
(E)-2-Methylglutaconicacid+7.1860867	ME648821	1.01	1.01	0.98
Formestane	ME649098	1.01	1.02	0.97
Ecgonine	ME649085	1.05	0.98	0.98
8-methoxy-13-hydroxy-9,11-octadecadienoicacid	ME648976	1.04	0.98	0.98
Leucine+4.3551145	ME649155	1.04	0.98	0.98
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))	ME649101	1.04	0.98	0.99
Nevirapine	ME649195	1.04	0.97	0.99
Fexofenadine	ME649097	1.06	0.99	0.95
Isoniazid	ME649142	1.05	0.99	0.95
2-Ethylisonicotinicacid	ME648889	1.04	1.00	0.96
9-lauroleicacid	ME648982	1.04	1.00	0.96
2-Amino-2-methyl-1-propanol	ME648878	1.04	1.01	0.95
ISOSAFROLE+1.0978807	ME649147	1.04	1.01	0.96
Cytosine+3.4283657	ME649052	1.03	1.01	0.96
Creatinine+4.034313	ME649044	1.02	1.01	0.97
Gabapentin	ME649099	1.02	1.01	0.96
Acetamide+1.3928151	ME648986	1.09	0.96	0.97
4,6-dioxoheptanoicacid	ME648931	1.07	0.96	0.96
Buprenorphine	ME649025	1.06	0.97	0.97
2-decylenicacid	ME648887	1.09	0.97	0.95
(+/-)14,15-EpETrE	ME648807	1.08	0.98	0.96
(Z)-N-(2-hydroxyethyl)hexadec-7-enamide	ME648822	1.07	0.98	0.95
Cytosine	ME649051	1.09	0.99	0.91
isoamylnitrite+1.8073217	ME649140	1.09	0.99	0.92
Pinacidil+6.5333734	ME649225	1.08	1.00	0.92
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol	ME648817	1.07	1.01	0.92
6alpha-Hydroxycastasterone	ME648966	1.07	1.01	0.92
Uridine	ME649291	1.09	0.97	0.93
PhthalicacidMono-2-ethylhexylEster	ME649221	1.08	0.99	0.93
2-Methyl-5-isopropylhexa-2Z,5-dienal	ME648894	1.07	0.99	0.94
(E)-2-Methylglutaconicacid+2.7288678	ME648820	1.07	0.98	0.93
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid	ME648839	1.02	1.04	0.96
Pyridoxamine	ME649242	1.06	1.03	0.92
2-Octenedioicacid	ME648899	1.05	1.03	0.92
3-IndoleaceticAcid	ME648923	1.05	1.03	0.91
14-methyl-1-hexadecanol	ME648847	1.05	1.01	0.93
Naphazoline	ME649192	1.05	1.00	0.93
1-Hexadecylamine	ME648861	1.04	1.03	0.94
Tiamulin	ME649261	1.04	1.03	0.93
1-(2-Pyrimidyl)piperazine+5.2760143	ME648825	1.05	1.02	0.95
AsnAlaAsn	ME649006	1.06	1.02	0.94
N-(2-hydroxyethyl)stearamide	ME649180	1.05	0.87	1.13
Acetoin	ME648989	1.02	0.87	1.12
N-(2-hydroxyethyl)palmitamide	ME649179	1.02	0.87	1.13
Aniline	ME649001	1.04	0.84	1.10
TROMETHAMINE	ME649273	1.03	0.83	1.13
1-Methyluricacid	ME648869	1.07	0.86	1.08
QUERCETINTETRAMETHYL(5,7,3^,4^)ETHER	ME649246	1.06	0.86	1.08
2-Hydroxyadipicacid+2.0358596	ME648891	1.07	0.87	1.04
deschlorobenzoylIndomethacin	ME649056	1.07	0.88	1.06
p-Aminobenzoicacid	ME649211	1.07	0.87	1.06
2-Hydroxyiminodibenzyl	ME648893	1.02	0.89	1.09
Leupeptin	ME649158	1.02	0.90	1.09
16-hydroperoxy-9Z,12,14E-octadecatrienoicacid	ME648848	1.05	0.90	1.08
2-Pyrrolidinone+3.2970328	ME648904	1.05	0.89	1.07
Methionine	ME649173	1.04	0.89	1.07
1-Methylpiperazine	ME648868	0.91	0.87	1.08
3R-hydroxy-5Z-dodecenoicacid	ME648928	0.95	0.94	1.12
Acetoin+1.6314733	ME648991	0.95	0.95	1.10
Chlorambucil	ME649037	0.96	0.94	1.10
cyclohexylammonium	ME649046	0.96	0.93	1.11
4-Hydroxybenzylcyanide+6.609466	ME648944	0.99	0.92	1.09
Estronesulfate	ME649094	0.97	0.92	1.14
2-Oxo-4E-hexenoicacid	ME648900	1.00	0.91	1.11
1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dihydroxy-24-oxocholecalciferol	ME648852	0.99	0.90	1.12
D-Glucose+2.9642036	ME649058	0.98	0.90	1.13
L-4-Hydroxy-3-methoxy-a-methylphenylalanine	ME649152	0.94	0.99	1.13
LysGlnIle	ME649169	0.95	0.99	1.12
Dimethylglycine+4.069634	ME649076	0.92	0.98	1.11
1-Methylguanosine	ME648866	0.91	1.00	1.13
AsnProLys	ME649007	0.91	1.00	1.12
D-Leucicacid+1.7741078	ME649084	0.91	0.94	1.13
Niacinamide	ME649199	0.88	0.94	1.15
1-Hexadecylamine+3.6542141	ME648862	0.83	1.16	0.98
Indole-3-ethanol	ME649130	0.85	1.13	0.98
AGELASINE	ME648994	0.87	1.16	0.99
Hydroxyhydroquinone+2.737934	ME649125	0.90	1.13	0.98
1-(11E-octadecenoyl)-rac-glycerol	ME648823	0.88	1.14	0.97
Tetrahydrofuran	ME649258	0.87	1.14	0.97
2-Amino-2-methyl-1-propanol+5.3564744	ME648881	0.88	1.15	0.95
5-(hydroxymethyl)-2-Furancarboxylicacid+5.6119556	ME648953	0.89	1.15	0.96
1-(2-Pyrimidyl)piperazine	ME648824	0.90	1.19	0.96
Arginine	ME649005	0.91	1.23	0.93
L-2-Aminoadipicacid+2.5918813	ME649151	0.90	1.28	0.88
N,N-dimethylhistidine	ME649182	0.83	1.21	0.89
25-hydroxy-26,27-dimethylvitaminD3/25-hydroxy-26,27-dimethylcholecalciferol	ME648877	0.83	1.21	0.95
2-Hydroxyadipicacid	ME648890	0.82	1.23	0.93
n-methylnicotinamide+6.0330334	ME649203	0.85	1.23	0.92
3E,13Z-octadecadien-1-ol	ME648921	0.86	1.19	0.93
GlcAbeta-Cer(d18:1/18:0)	ME649100	0.85	1.21	0.93
Methylglyoxal	ME649174	0.77	1.22	0.91
1-octadecanoyl-rac-glycerol	ME648871	0.82	1.26	0.90
BiliverdinIX+1.6236403	ME649019	0.79	1.28	0.93
sn-1,2-Dioctanoylglycerol	ME649251	0.96	1.10	0.94
DL-2-Aminooctanoicacid+6.892978	ME649082	0.97	1.08	0.95
TrpArgGly	ME649283	0.96	1.09	0.95
MYCOPHENOLICACID	ME649177	0.94	1.09	0.96
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine	ME648857	0.96	1.08	0.96
cyclandelate	ME649045	0.95	1.08	0.97
cis-11-Hexadecenal	ME649041	0.96	1.06	0.97
N1-Acetylspermidine	ME649185	0.97	1.06	0.97
ciclopirox	ME649040	0.99	1.05	0.97
Diethanolamine+5.527126	ME649064	0.98	1.06	0.97
cefamandolenafate	ME649036	0.99	1.06	0.96
p-HYDROXYCINNAMALDEHYDE	ME649223	0.98	1.06	0.96
25-Hydroxy[26,27-methyl]vitaminD33beta-(1,2-epoxypropyl)ether	ME648876	0.99	1.06	0.94
Erythromycin	ME649092	1.00	1.06	0.94
AlaLeu	ME648995	1.00	1.05	0.95
Diethanolamine+6.6559505	ME649069	0.99	1.05	0.95
alpha-Hydroxymetoprolol	ME648997	1.00	1.09	0.94
PROPOXUR	ME649235	0.99	1.08	0.94
4-Aminobutyraldehyde+5.382866	ME648938	0.98	1.08	0.94
cyclohexylammonium+5.197659	ME649048	0.98	1.07	0.94
2,4-octadienal	ME648873	1.03	1.05	0.86
D-1-Piperideine-2-carboxylicacid	ME649054	1.03	1.02	0.86
Indoleacrylicacid	ME649134	1.03	1.08	0.88
TROMETHAMINE+5.5924644	ME649276	1.01	1.07	0.92
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol	ME648829	1.02	1.07	0.92
Traumaticacid	ME649266	1.02	1.08	0.92
Indole-3-ethanol+6.418022	ME649132	1.01	1.06	0.93
Loroxanthinester/Loroxanthindodecenoate	ME649167	1.00	1.06	0.92
2-Amino-3-methyl-1-butanol+6.472044	ME648884	1.03	1.05	0.91
TEGASEROD+6.4934783	ME649256	1.04	1.04	0.89
TrpTyrTyr	ME649284	1.00	1.14	0.80
2-Amino-2-methyl-1-propanol+5.1998544	ME648880	1.00	1.12	0.87
2-Aminopropanol	ME648885	1.01	1.13	0.86
epsilon-Caprolactam	ME649088	1.02	1.13	0.85
5-(hydroxymethyl)-2-Furancarboxylicacid+5.7976537	ME648954	0.95	1.17	0.91
Parasiloxanthin/7,8-Dihydrozeaxanthin	ME649213	0.95	1.18	0.94
BiliverdinIX+2.0339859	ME649020	0.94	1.19	0.85
20-oxo-heneicosanoicacid	ME648875	0.94	1.15	0.88
beta-vinylacrylicacid	ME649013	0.92	1.16	0.88
IleSerLys	ME649128	0.93	1.17	0.89
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]+1.8134243	ME648959	0.96	1.09	0.87
Pyroglutamicacid+5.8255005	ME649244	0.93	1.14	0.92
13S-hydroxy-9E,11Z-octadecadienoicacid	ME648845	0.91	1.13	0.93
Urea+5.482235	ME649289	0.92	1.12	0.94
1,2-Didecanoyl-glycerol(10:0)	ME648831	0.97	1.09	0.92
Tiamulin+6.5371113	ME649262	0.98	1.09	0.92
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine	ME648826	0.99	1.11	0.91
4,7,10,13-hexadecatetraenoicacid	ME648933	0.98	1.11	0.91
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]+2.088407	ME648960	0.94	1.12	0.90
Indole-3-ethanol+5.1084623	ME649131	0.96	1.15	0.91
Theobromine	ME649259	0.97	1.14	0.90
PantothenicAcid	ME649212	0.96	1.12	0.91
2-Amino-2-methyl-1-propanol+5.645574	ME648882	0.96	1.13	0.93
Acetamide+2.071302	ME648987	0.96	1.13	0.92
Pergolide	ME649216	0.82	1.11	1.01
3-DeoxyvitaminD3	ME648919	0.87	1.04	1.05
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ME649110	0.86	1.05	1.07
URSINICACID	ME649294	0.85	1.10	1.04
1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol	ME648830	0.85	1.08	1.06
Glucoheptonicacid	ME649102	0.84	1.09	1.06
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]	ME649112	0.87	1.11	1.02
4-Aminobutyraldehyde+5.271877	ME648937	0.88	1.11	1.00
INDOLE-3-CARBINOL	ME649129	0.89	1.11	1.01
Theobromine+1.4370109	ME649260	0.89	1.10	1.01
7,8-dihydroxystearicacid	ME648971	0.89	1.08	1.02
2-Amino-2-methyl-1-propanol+4.6926875	ME648879	0.91	1.08	1.01
9-amino-nonanoicacid	ME648978	0.90	1.09	1.00
Purine+0.8148545	ME649238	0.92	1.10	0.97
3,3,45-Tetrahydroxystilbene	ME648910	0.92	1.05	1.02
Adenine	ME648993	0.92	1.05	1.00
Indoleacrylicacid+5.610031	ME649137	0.92	1.08	1.00
12Z,15Z-octadecadienoicacid	ME648844	0.93	1.08	0.99
1-hexadecanoyl-sn-glycerol	ME648859	0.92	1.08	0.99
Diethanolamine	ME649063	0.94	1.06	1.00
1-(9Z,12Z-octadecadienoyl)-rac-glycerol	ME648828	0.93	1.07	1.00
LeuProPro	ME649161	0.93	1.07	1.01
ProArgAsp	ME649227	0.98	1.02	1.01
Sulfaquinoxaline	ME649253	0.98	1.02	1.00
carisoprodol	ME649034	0.99	1.03	0.99
Creatine	ME649042	0.97	1.03	0.99
Normeperidinicacid	ME649205	0.96	1.07	0.99
o-Toluenesulfamide	ME649210	0.95	1.06	0.99
beta-Alanine	ME649011	0.96	1.06	0.99
GuanidinosuccinicAcid+5.802178	ME649119	0.96	1.05	0.99
Ins-1-P-Cer(d18:1/22:0)	ME649138	0.96	1.04	1.00
Isoleucine	ME649141	0.96	1.04	1.00
Tranexamicacid	ME649263	0.95	1.03	1.01
Bis(2-hydroxypropyl)amine	ME649022	0.96	1.03	1.01
Pyroglutamicacid+6.828353	ME649245	0.96	1.03	1.01
GuanidinosuccinicAcid	ME649118	0.95	1.05	1.01
4-Aminobutyraldehyde	ME648935	0.94	1.04	1.02
Uracil	ME649287	0.94	1.04	1.02
Mazindol	ME649171	0.92	1.03	1.05
7-Aminoclonazepam	ME648972	0.93	1.03	1.04
1-heptadecanoyl,2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine	ME648858	0.93	1.04	1.03
3-tert-butyl-3-butenoicacid	ME648929	0.93	1.03	1.03
3-(3-Indolyl)-2-oxopropanoicacid	ME648909	0.95	1.02	1.03
Bis(2-hydroxypropyl)amine+5.481559	ME649023	0.94	1.01	1.05
2-docosanamidoethanesulfonicacid	ME648888	0.93	1.02	1.05
4-Aminobutyraldehyde+5.1793814	ME648936	0.94	1.02	1.04
3-Indolepropionicacid	ME648924	0.91	0.98	1.08
BiliverdinIX	ME649016	0.93	0.99	1.07
Dimethylglycine+6.4713974	ME649078	0.95	0.99	1.06
1alpha,25-dihydroxy-22-oxavitaminD33-hemiglutarate/1alpha,25-dihydroxy-22-oxacholecalciferol3-he	ME648851	1.13	0.80	1.08
3-oxo-4-pentenoicacid	ME648927	1.15	0.79	1.09
OphiobolinA	ME649209	1.15	0.79	1.08
Homoserine	ME649123	1.16	0.77	1.08
TROMETHAMINE+5.7465215	ME649277	1.15	0.78	1.07
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.0063637	ME648840	1.14	0.87	0.99
2-tridecene-4,7-diynal	ME648908	1.18	0.87	0.99
6,9,12-hexadecatrienoicacid	ME648964	1.16	0.82	1.03
S-Methylpenicillamine	ME649250	1.15	0.86	1.04
GPSer(16:0/18:1(11Z))	ME649117	1.23	0.71	0.99
stigmasta-7,22E,25-trien-3beta-ol	ME649252	1.21	0.73	0.98
myo-Inositol	ME649178	1.21	0.88	0.96
2-Pyrrolidinone+2.8319786	ME648903	1.20	0.85	0.96
CARYLOPHYLLENEOXIDE	ME649035	1.22	0.86	0.94
Dimethylglycine+2.8044205	ME649075	1.18	0.80	0.95
Diethanolamine+6.525427	ME649068	1.24	0.77	0.99
4-Hydroxypyridine+1.305617	ME648946	1.25	0.78	0.94
Propionylglycinemethylester	ME649231	1.23	0.81	0.95
N(pai)-Methyl-L-histidine	ME649181	1.21	0.86	0.75
3,6-octadecadiynoicacid	ME648915	1.38	0.80	0.81
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitaminD3/(22R)-1a	ME648812	1.34	0.90	0.86
3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one	ME648916	1.27	0.81	0.81
Uricacid	ME649290	1.30	0.84	0.81
epsilon-Caprolactam+6.1013503	ME649089	1.31	0.77	0.91
ValSerLys+1.0849711	ME649300	1.28	0.77	0.90
2-Methylbutyrylglycine	ME648895	1.29	0.83	0.87
Glutaral(Glutaraldehyde)	ME649106	1.27	0.84	0.88
2-Pyrrolidinone+2.0697286	ME648902	1.27	0.81	0.93
6-[3]-ladderane-1-hexanol	ME648965	1.28	0.83	0.91
BiliverdinIX+1.4682751	ME649018	1.01	0.68	1.09
Estradiolvalerate	ME649093	1.05	0.62	1.06
Glucosamine+2.7338603	ME649104	0.95	0.81	1.16
1alpha,25-dihydroxy-11beta-phenylvitaminD3/1alpha,25-dihydroxy-11beta-phenylcholecalciferol	ME648850	0.99	0.83	1.17
Hippuricacid	ME649122	1.00	0.83	1.17
Triparanol+6.444099	ME649270	1.02	0.74	1.24
epsilon-Caprolactam+6.236251	ME649090	1.09	0.75	1.17
TrpAlaIle	ME649282	1.08	0.72	1.14
4-Aminobutyraldehyde+5.617605	ME648939	1.04	0.78	1.17
Aniline+5.6175404	ME649002	1.07	0.79	1.12
(23R)-1alpha,23,25-trihydroxy-24-oxovitaminD3/(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol	ME648814	1.20	0.57	1.17
1-HydroxyvitaminD33-D-glucopyranoside	ME648863	1.17	0.72	1.12
Indoleacrylicacid+5.4790144	ME649135	1.20	0.68	1.13
(23R,25R)-1alpha,25-dihydroxyvitaminD326,23-lactone/(23R,25R)-1alpha,25-dihydroxycholecalciferol	ME648815	1.24	0.69	1.06
4-Hydroxypyridine	ME648945	1.26	0.64	1.11
ARECOLINE	ME649004	1.10	0.51	1.27
DL-2-Aminooctanoicacid+6.14302	ME649081	1.14	0.66	1.29
PGF2alphaisopropylester	ME649217	0.88	0.73	1.37
ANCITABINE	ME649000	0.74	0.72	1.55
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitaminD3/(22R)-1a+1.1406572	ME648813	0.77	0.84	1.54
2-Methylbutyrylglycine+3.1958613	ME648897	0.77	0.80	1.48
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine	ME648870	0.74	1.13	1.13
N1,N4-Diacetylsulfanilamide	ME649184	0.75	1.14	1.04
ValSerLys	ME649299	0.79	1.10	1.26
Indoleacetaldehyde	ME649133	0.79	1.08	1.18
3,3,45-Tetrahydroxystilbene+3.5932326	ME648911	0.77	1.02	1.16
(22E,24E)-1alpha,25-dihydroxy-26,27-diethyl-22,23,24,24a-tetradehydro-24a-homovitaminD3/(22E,24E)	ME648811	0.75	1.04	1.19
4-Hydroxypyridine+3.056915	ME648947	0.77	1.02	1.19
Asymmetricdimethylarginine	ME649008	0.86	0.98	1.23
Capryloylglycine	ME649032	0.89	0.94	1.22
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoylamine	ME649206	0.92	0.95	1.22
Cytosine+3.9679208	ME649053	0.87	0.86	1.27
N-arachidonoylD-serine	ME649193	0.86	0.86	1.27
1alpha,25-dihydroxy-3-deoxy-3-thiavitaminD3/1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol	ME648854	0.86	0.85	1.16
Diethanolamine+6.332912	ME649067	0.93	0.86	1.21
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitaminD3/1alpha	ME648855	0.91	0.89	1.20
5Z,8Z-tetradecadienoicacid	ME648962	0.92	0.89	1.20
TROMETHAMINE+5.9955096	ME649279	0.79	0.93	1.23
6-methyltetrahydropterin	ME648969	0.74	0.83	1.34
10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid+1.2059581	ME648836	0.71	0.89	1.31
VALERYLSALYCILATE	ME649295	0.73	0.90	1.27
N-Acetylcadaverine	ME649189	1.04	0.35	1.28
D-Biotin	ME649055	1.40	0.64	0.91
1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE[DPCPX]	ME648832	1.36	0.59	1.19
DIHYDROFISSINOLIDE	ME649070	1.40	0.56	1.18
GPEtn(18:1(11Z)/18:1(9Z))[U]+2.416716	ME649114	1.32	0.58	1.07
p-Hydroxyaniline	ME649222	1.41	0.51	1.09
Ethosuximide	ME649095	1.43	0.58	0.99
GPEtn(18:1(11Z)/18:1(9Z))[U]	ME649113	1.39	0.58	1.05
GPEtn(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[U]	ME649115	1.59	0.28	1.09
L-2-Aminoadipicacid	ME649150	1.47	0.36	0.99
L-Urobilin	ME649168	1.52	0.52	0.75
Propionylglycinemethylester+6.2598743	ME649233	1.58	0.53	0.93

Factors:

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

Data matrix