Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000221)

Positive ion mode HILIC (Analysis AN000329)

Metabolite	Structure	F1	F2	F3
Cholestanyl glucoside	ME698267	0.68	1.12	1.19
DG(15:0/0:0/15:0) (d5)	ME698271	0.50	1.04	1.46
SM(d18:1/26:0)	ME698322	0.45	1.07	1.48
Didodecyl thiobispropanoate	ME698274	0.55	1.12	1.33
Primaquine	ME698316	0.59	1.04	1.36
N-arachidonoyl taurine	ME698299	0.87	0.48	1.55
N-(tetradecanoyl)-sphing-4-enine-1-(2-aminoethylphosphonate)	ME698294	0.90	0.45	1.65
N1,N8-Diacetylspermidine	ME698296	0.53	0.46	2.01
10-alpha-methoxy-9,10-dihydrolysergol	ME698237	0.56	0.51	1.93
N-Decanoylglycine	ME698303	0.57	0.48	1.94
Erythrohydrobupropion	ME698278	0.62	0.60	1.78
Glycerol 1-(5-hydroxydodecanoate)	ME698288	0.63	0.62	1.75
Deterrol stearate	ME698270	0.56	0.68	1.76
(3R,7R)-1,3,7-Octanetriol	ME698231	0.55	0.67	1.78
(-)-Folicanthine	ME698229	0.57	0.66	1.77
24,24-difluoro-1alpha,25-dihydroxy-26,27-dimethyl-24a-homovitamin D3 / 24,24-difluoro-1alpha,25-dihydroxy-26,27-dimethyl-24a-homocholecalciferol	ME698247	0.53	0.65	1.81
DG(17:0/0:0/17:0) (d5)	ME698273	0.56	0.61	1.83
Vignatic acid B	ME698329	0.51	0.57	1.92
Ondansetron	ME698309	0.47	0.61	1.92
SM(d18:2/21:0)	ME698323	0.49	0.62	1.89
12-amino-dodecanoic acid	ME698239	0.45	0.68	1.87
Thiazopyr	ME698326	0.41	0.65	1.94
Acenocoumarol	ME698255	0.43	0.94	1.63
Albanol B	ME698256	0.30	1.00	1.70
(S)C(S)S-S-Methylcysteine sulfoxide	ME698232	0.60	0.89	1.52
Nb-Tricosanoyltryptamine	ME698302	0.53	0.76	1.71
Nefazodone	ME698304	0.55	0.78	1.67
24,25-epoxy-cholesterol(d6)	ME698248	0.50	0.88	1.62
3beta-Acetoxy-19alpha-hydroxy-12-ursene	ME698250	0.55	0.83	1.62
PG(O-20:0/0:0)	ME698313	0.54	0.82	1.64
5,7,3^,4^,5^-Pentahydroxy-3,6,8-trimethoxyflavone	ME698252	0.76	0.59	1.65
Netilmicin	ME698305	0.67	0.78	1.56
N-Methylnicotinium	ME698306	0.68	0.70	1.62
Ganglioside GA2 (d18:1/9Z-18:1)	ME698285	0.24	0.17	2.59
Nb-Lignoceroyltryptamine	ME698301	0.26	0.14	2.60
Notoginsenoside J	ME698307	0.05	0.03	2.92
Simonin IV	ME698319	0.02	0.03	2.94
35S-Methylokadaic acid 7-hexadecanoate	ME698249	0.09	0.09	2.64
Astaxanthin glucoside	ME698260	0.01	0.00	2.74
1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	ME698234	0.90	0.29	2.34
Polypropylene glycol (m w 1,200-3,000)	ME698315	0.11	0.64	2.25
Glucohesperalin	ME698287	0.23	0.65	1.90
Delphinidin 3-(6-p-coumaroylglucoside)-5-[6-(malonyl)-4-(rhamnosyl)glucoside)]	ME698269	0.27	0.64	2.09
Quercetagetin 7-methyl ether 3-(2^^^-caffeoylglucosyl)-(1->2)-glucuronide	ME698317	0.24	0.69	2.07
PA(O-16:0/12:0)	ME698310	0.49	0.17	2.33
13-HDoHE	ME698240	0.38	0.37	2.25
trans-2-trans-4-Nonadiene	ME698328	0.38	0.37	2.25
Fentanyl	ME698281	0.39	0.45	2.16
N-[2-(1H-Indol-3-yl)ethyl]docosanamide	ME698295	0.43	0.43	2.14
Enilconazole	ME698277	0.23	0.49	2.12
Fukiic acid	ME698283	0.23	0.39	2.22
Furano[2^^,3^^:6,7]aurone	ME698284	0.25	0.48	2.27
Quercetin 3-(2^^-caffeoylglucoside)-(1->2)-(6^^-malonylglucoside)	ME698318	0.28	0.51	2.21
alpha-D-Galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->4)-D-galacturonic acid	ME698257	0.15	0.29	2.22
Nb-Hexacosanoyltryptamine	ME698300	0.18	0.41	2.41
2,4-Dodecadienoic acid pyrrolidide	ME698244	0.28	0.33	2.39
Sinalexin	ME698320	0.21	0.27	2.37
N-Acetyl-L-methionine	ME698297	0.02	2.77	0.01
2,6-Diisopropylnaphthalene	ME698245	0.07	2.64	0.29
C17 Sphinganine	ME698263	0.03	2.67	0.30
Creatinine	ME698226	0.57	1.92	0.51
22:2-Glc-Campesterol	ME698246	0.35	2.12	0.53
11-Chloro-8E,10E-undecadien-1-ol	ME698238	0.33	2.06	0.60
Oleic acid(d2)	ME698308	0.35	2.07	0.57
DG(16:0/0:0/16:0) (d5)	ME698272	0.20	1.52	1.27
Candesartan	ME698264	0.45	1.72	0.83
Panaxydol linoleate	ME698311	0.29	1.63	1.08
PC(O-14:0/O-14:0)	ME698312	0.30	1.75	0.95
2-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid	ME698243	1.00	1.68	0.32
Spermine	ME698227	1.71	1.16	0.13
5^-(3^,4^-Dihydroxyphenyl)-gamma-valerolactone sulfate	ME698251	1.55	1.13	0.32
Dihydro-2-methoxy-2-methyl-3(2H)-thiophenone	ME698275	1.61	1.10	0.29
Azorhodine 2G	ME698261	1.49	1.20	0.31
Crasseride 2a	ME698268	1.55	1.23	0.22
L-Olivosyl-oleandolide	ME698293	1.47	0.97	0.57
9,10,12,13-tetrabromo-stearic acid	ME698254	1.36	0.95	0.69
Famprofazone	ME698280	1.40	0.98	0.62
7-Chloro-6-demethylcepharadione B	ME698253	1.22	1.23	0.44
1,9-Nonanedithiol	ME698236	1.15	1.09	0.76
1^,2^-Dihydro-1,1^-dimethyl-2^-oxo-4,4^-bipyridinium(1+)	ME698235	1.15	1.21	0.65
Sulfathiazole	ME698325	1.30	1.07	0.64
Isopropyl apiosylglucoside	ME698292	1.27	1.14	0.60
Thiopental	ME698327	1.24	1.11	0.65
(11Z)-eicoseneoylcarnitine	ME698230	0.88	1.17	0.95
Carbamic acid	ME698265	0.84	1.37	0.79
Fluorouracil	ME698282	0.95	1.32	0.73
Sufentanil	ME698324	1.04	1.28	0.68
PI(P-16:0/17:2(9Z,12Z))	ME698314	2.48	0.18	0.34
Glycerophosphocholine	ME698289	2.51	0.35	0.14
SM C16:1	ME698321	2.44	0.32	0.24
Aripiprazole	ME698259	2.84	0.07	0.09
Spermidine	ME698228	2.66	0.24	0.10
Glucoconringiin	ME698286	2.06	0.13	0.76
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	ME698233	2.07	0.58	0.36
Naphthalene	ME698298	2.08	0.60	0.33
Araliacerebroside	ME698258	2.06	0.47	0.47
cholesta-5,7,8(14),22E-tetraen-3-one	ME698266	2.14	0.40	0.45
16:2-Glc-Cholesterol	ME698242	1.83	0.40	0.77
Emblicanin A	ME698276	1.96	0.44	0.60
Guanosine triphosphate adenosine	ME698290	1.91	0.44	0.65
14,15-HxA3-D(11S)	ME698241	1.76	0.74	0.50
ETF	ME698279	1.62	0.68	0.70
Blasticidin S	ME698262	1.69	0.53	0.77
Hydralazine acetone hydrazone	ME698291	1.68	0.60	0.73

Factors:

F1	Cognitive Status:fast MM
F2	Cognitive Status:normal
F3	Cognitive Status:slow MM

Data matrix