Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Preconcentration of organic solutes in urine by bubble bursting (Study ST000444)

Reversed phase POSITIVE ION MODE (Analysis AN000695)

Metabolite	Structure	F1	F2
Pimelylcarnitine	ME150380	0.47	1.53
Dihydroisomorphine-3-glucuronide	ME150399	2.47	0.26
Cabergoline	ME150402	2.13	0.43
PC(14:00P-18:1(11Z))	ME150415	2.14	0.43
Verapamil	ME150270	1.00	NA
Trimethoprim	ME150258	1.00	NA
Terfenadine	ME150266	1.00	NA
Netilmicin	ME150371	1.00	NA
Meperidine	ME150354	1.00	NA
L-Histidine	ME150277	1.00	NA
D-Glucose	ME150370	1.00	NA
CD 1790	ME150412	1.00	NA
Candesartan	ME150343	1.00	NA
1-Methylhistidine	ME150275	1.00	NA
3-Dechloroethylifosfamide	ME150409	1.00	NA
Acenocoumarol	ME150376	1.88	0.12
Mepyramine	ME150248	1.83	0.17
15beta-hydroxycyproterone acetate	ME150316	1.84	0.16
2-Octenoylcarnitine	ME150383	1.84	0.16
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide	ME150386	1.69	0.31
Imiquimod	ME150346	1.68	0.32
15(S)-HETE	ME150299	1.68	0.32
Cyclopentolate	ME150259	1.68	0.32
Androstenedione	ME150319	1.70	0.30
O-Desmethylverapamil (D-702)	ME150269	1.70	0.30
Levonorgestrel	ME150322	1.72	0.28
SR 494980MC-207,110	ME150344	1.71	0.29
Haloperidol 1,2,3,6-tetrahydropyridine	ME150268	1.71	0.29
2,3-Dinor-6-keto-prostaglandin F1 a	ME150303	1.71	0.29
Decanoylcarnitine	ME150287	1.71	0.29
Cinnarizine	ME150263	1.81	0.19
Nadolol	ME150246	1.78	0.22
D-Urobilinogen	ME150349	1.80	0.20
Glisoxepide	ME150271	1.79	0.21
Caprylic0Octanoic acid	ME150291	1.79	0.21
Docosahexaenoic acid	ME150296	1.79	0.21
Linoleic acid	ME150390	1.76	0.24
Acitretin	ME150335	1.76	0.24
9-Decenoylcarnitine	ME150282	1.76	0.24
17a-Ethynylestradiol	ME150323	1.76	0.24
2,3-Dinor-TXB2	ME150304	1.76	0.24
Palmitoyl glucuronide	ME150387	1.74	0.26
2,3-Methyleneglutaric acid	ME150292	1.74	0.26
Alosetron	ME150357	1.74	0.26
Prostaglandin E2	ME150297	1.73	0.27
Dipivefrin	ME150247	1.73	0.27
Mestranol	ME150321	1.73	0.27
Levocabastine	ME150355	1.58	0.42
3-Hydroxytetradecanedioic acid	ME150295	1.58	0.42
Delta-12-Prostaglandin J2	ME150302	1.58	0.42
Mifepristone	ME150327	1.59	0.41
Ethacrynic acid	ME150260	1.59	0.41
17-Hydroxyprogesterone	ME150314	1.59	0.41
Buspirone N-oxide	ME150339	1.59	0.41
Erlotinib	ME150358	1.60	0.40
Retinoyl b-glucuronide	ME150336	1.60	0.40
Prostaglandin F2a	ME150301	1.64	0.36
Ixabepilone	ME150378	1.64	0.36
Leukotriene B4	ME150300	1.64	0.36
Megestrol	ME150388	1.66	0.34
Gentamicin	ME150372	1.65	0.35
Clidinium	ME150261	1.65	0.35
b-Dihydrotetrabenazine	ME150410	1.65	0.35
Alvimopan	ME150273	1.65	0.35
2-Hydroxyestradiol-3-methyl ether	ME150325	1.65	0.35
3-Hydroxy-cis-5-tetradecenoylcarnitine	ME150288	1.65	0.35
Artemether	ME150333	1.61	0.39
2-Octenedioic acid	ME150293	1.61	0.39
Anserine	ME150276	1.61	0.39
Fluspirilene	ME150267	1.62	0.38
Desmosine	ME150381	1.63	0.37
Deoxydihydro-artemisinin	ME150392	1.63	0.37
Carphenazine	ME150363	1.63	0.37
15-Deoxy-d-12,14-PGJ2	ME150298	1.63	0.37
Bepridil	ME150250	1.63	0.37
Tetrahydrocortisone0Urocortisone	ME150306	1.53	0.47
12-Hydroxynevirapine glucuronide	ME150368	1.52	0.47
Nevirapine	ME150397	1.52	0.48
Nabilone	ME150362	1.52	0.48
1,3-Diacetylpropane	ME150366	1.52	0.48
Homovanillic acid	ME150256	1.52	0.48
Aldosterone	ME150307	1.51	0.49
Ellagic acid	ME150377	1.50	0.50
L-Octanoylcarnitine	ME150281	1.54	0.46
5a-Tetrahydrocortisol	ME150305	1.54	0.46
16-a-Hydroxypregnenolone	ME150315	1.54	0.46
(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine	ME150364	1.54	0.46
Methylergonovine	ME150414	1.55	0.45
Succinylacetone	ME150382	1.55	0.45
NNAL-N-glucuronide	ME150369	1.56	0.44
Carvedilol	ME150359	1.56	0.44
16α-hydroxyprednisolone	ME150308	1.56	0.44
6beta-hydroxybudesonide	ME150309	1.56	0.44
7C-aglycone	ME150334	1.57	0.43
Tafluprost free acid	ME150404	1.57	0.43
Quinine	ME150401	1.49	0.51
N1-Methyl-2-pyridone-5-carboxamide	ME150353	1.49	0.51
Dimenhydrinate	ME150265	1.49	0.51
2-Hydroxy-imipramine glucuronide	ME150361	1.49	0.51
Creatinine	ME150345	1.49	0.51
(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid	ME150310	1.48	0.52
L-Lysine	ME150278	1.48	0.52
N-desmethylimatinib	ME150272	1.47	0.53
10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide	ME150391	1.47	0.53
Cortolone-3-glucuronide	ME150311	1.47	0.53
Proline betaine	ME150279	1.46	0.54
Difluprednate	ME150318	1.46	0.54
Edrophonium	ME150257	1.46	0.54
Androsterone glucuronide	ME150312	1.42	0.58
Dityrosine	ME150379	1.41	0.59
Hydralazine	ME150356	1.41	0.59
4-Hydroxynonenal	ME150385	1.45	0.55
Alizapride	ME150394	1.45	0.55
AFN911	ME150413	1.43	0.57
Phosphoramide mustard	ME150408	1.44	0.56
Deoxyartemsinin	ME150393	1.44	0.56
Dibucaine0cinchocaine	ME150348	1.44	0.56
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone	ME150332	0.98	1.02
Propofol	ME150254	0.99	1.01
2-Methylbutyroylcarnitine	ME150284	1.00	1.00
Perillic acid	ME150330	1.00	1.00
Nizatidine	ME150342	1.06	0.94
Acetyldigitoxin	ME150328	1.04	0.96
Phthalic acid	ME150252	1.04	0.96
2-Methyl-4-heptanone	ME150367	1.02	0.98
5^-(3^-Methoxy-4^-hydroxyphenyl)-gamma-valerolactone	ME150255	1.03	0.97
Piperitone	ME150405	0.79	1.10
L-Hexanoylcarnitine	ME150286	0.89	1.11
2-pentylfuran	ME150350	0.93	1.07
Azelaic acid	ME150290	0.94	1.06
Caffeine	ME150400	1.19	0.81
cis-4-Hydroxycyclohexylacetic acid	ME150365	1.20	0.80
Ranolazine	ME150280	1.21	0.79
4-Hydroxypropofol	ME150253	1.22	0.78
8-Hydroxycarvedilol	ME150411	1.22	0.78
Trimipramine	ME150360	1.23	0.77
Thymol	ME150331	1.24	0.76
5-Hydroxymethyl tolterodine	ME150262	1.24	0.76
Procyclidine	ME150249	1.24	0.76
Diisobutyl phthalate	ME150251	1.09	0.91
Tirofiban	ME150374	1.10	0.90
1-Methyladenosine	ME150403	1.17	0.83
Butyrylcarnitine	ME150283	1.17	0.83
Chloroquine	ME150347	1.16	0.84
Methyl 4,8-decadienoate	ME150285	1.16	0.84
Linalyl oxide	ME150351	1.13	0.87
2,2,4-Trimethyl-1,3-pentadienol diisobutyrate	ME150406	1.14	0.86
L-Tyrosine	ME150373	1.14	0.86
12-Hydroxynevirapine	ME150396	1.43	0.79
1-Methyl-4-nitroimidazole	ME150395	1.38	0.81
4-ene-Valproic acid	ME150407	1.28	0.72
Antrafenine	ME150340	1.29	0.71
Norethindrone	ME150324	1.29	0.71
PC(o-18:2(9Z,12Z)024:0)	ME150389	1.30	0.70
Umbelliferone	ME150375	1.30	0.70
2-Propyl-2,4-pentadienoic acid	ME150289	1.32	0.68
Vitamin D2 3-glucuronide	ME150337	1.31	0.69
2,6-Di-tert-butylbenzoquinone	ME150329	1.31	0.69
Thiabendazole	ME150352	1.31	0.69
Terazosin	ME150338	1.35	0.65
Pivmecillinam	ME150274	1.36	0.64
Dipyridamole	ME150398	1.36	0.64
Estramustine	ME150326	1.36	0.64
Deoxycholic acid 3-glucuronide	ME150313	1.37	0.63
Traumatic acid	ME150294	1.38	0.62
2-Hydroxycaproic acid	ME150384	1.38	0.62
Fluocinonide	ME150317	1.38	0.62
Dehydroepiandrosterone	ME150320	1.40	0.60
Azlocillin	ME150341	1.39	0.61
Flunarizine	ME150264	1.39	0.61

Factors:

F1	Sample Treatment:Bubbled
F2	Sample Treatment:Control

Data matrix