Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Normal plasma cells,Low proliferation multiple myeloma and High proliferation multiple myeloma cells (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