Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001955)

HILIC POSITIVE ION MODE (Analysis AN003181)

Metabolite	Structure	F1	F2
Ethanone, 1-[1-(2-cyclohexylethyl)-1H-indol-3-yl]-2-(2-methoxyphenyl)-	ME451441	0.32	1.68
Geranylcitronellol	ME451449	0.32	1.68
His-Val	ME451478	0.34	1.66
Moupinamide	ME451536	0.36	1.64
Chlorogenic acid	ME451408	0.17	1.83
cis-5,8,11,14-Eicosatetraenoic acid	ME451410	0.24	1.76
Traumatin	ME451617	0.26	1.74
Sinapoyl aldehyde	ME451597	1.89	0.11
Serine	ME451592	1.47	0.53
1-Pyrroline	ME451310	1.48	0.52
Proline	ME451576	1.48	0.52
Acylcarnitine 15:2	ME451367	1.45	0.55
PE(16:0/18:1(11Z))	ME451560	1.46	0.54
Trigonelline	ME451622	1.57	0.43
1,24-Dihydroxyvitamin D3	ME451295	1.55	0.45
isorhamnetin-3-O-rutinoside	ME451501	1.53	0.47
N-Acetyl-L-phenylalanine	ME451543	1.74	0.26
Acylcarnitine 15:3	ME451368	1.65	0.35
trans-Zeatin	ME451616	1.66	0.34
Valganciclovir	ME451639	0.54	1.46
Pergolide	ME451563	0.53	1.47
11.beta.,21-Dihydroxy-5.beta.-pregnane-3,20-dione	ME451301	0.53	1.47
Dronedarone	ME451437	0.53	1.47
Phenylacetaldehyde	ME451568	0.51	1.49
Cer[NS] 34:3; Cer[NS](d18:2/16:1)	ME451407	0.50	1.50
Isoxanthohumol	ME451504	0.49	1.51
Tridecyl phloretate	ME451620	0.49	1.51
3beta-Hydroxycinnamolide	ME451336	0.75	1.25
Kynurenic acid	ME451508	0.76	1.24
Asp-Pro	ME451392	0.76	1.24
Acylcarnitine 14:3	ME451366	0.76	1.24
alpha-Irone	ME451378	0.76	1.24
Propyl 2,4-decadienoate	ME451580	0.78	1.22
Phe-Asp	ME451566	0.78	1.22
Octyl 4-methoxycinnamic acid	ME451551	0.78	1.22
(2^E,4^Z,7^Z,8E)-Colnelenic acid	ME451279	0.78	1.22
Acetyl-DL-carnitine	ME451364	0.78	1.22
O,O-Diethyl phosphate	ME451550	0.77	1.23
(2R,3S)-2-methyl-3-propyloxirane	ME451280	0.77	1.23
Indane	ME451492	0.77	1.23
PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	ME451561	0.79	1.21
Oxandrolone	ME451554	0.79	1.21
Linsidomine cation	ME451518	0.79	1.21
3-Deazaadenosine	ME451337	0.79	1.21
Hydrocortisone	ME451481	0.79	1.21
Aspartame	ME451389	0.80	1.20
Penicillamine disulfide	ME451562	0.80	1.20
Thalsimidine	ME451605	0.64	1.36
Beclomethasone	ME451395	0.64	1.36
Robinin	ME451588	0.64	1.36
Leucodopachrome	ME451512	0.62	1.38
Puberanidine	ME451583	0.63	1.37
(4-Aminobutyl)guanidine	ME451282	0.63	1.37
Acylcarnitine 18:5	ME451369	0.63	1.37
Arg-Leu	ME451384	0.61	1.39
Acylcarnitine 21:5	ME451371	0.60	1.40
Corticosterone	ME451415	0.60	1.40
Bufalin	ME451401	0.59	1.41
Maysin	ME451526	0.58	1.42
Phe-Thr	ME451572	0.72	1.28
Ibuprofen	ME451482	0.73	1.27
DL-Leu-DL-Val	ME451432	0.73	1.27
11,12-Methylenedioxykopsinaline	ME451300	0.73	1.27
4^-Methylacetophenone	ME451344	0.73	1.27
Acylcarnitine 22:5	ME451372	0.66	1.34
13,14-Dihydro-15-ketoprostaglandin A2	ME451304	0.66	1.34
5.beta.-Pregnane-3.alpha.,17-diol-20-one	ME451346	0.66	1.34
8(9)-Epoxy-5Z,11Z,14Z-eicosatrienoic acid	ME451353	0.67	1.33
Di(2-nonyl) phthalate	ME451428	0.67	1.33
Isoreserpin	ME451499	0.69	1.31
2,6-Dihydroxybenzoic acid	ME451313	0.69	1.31
Guanosine	ME451472	0.69	1.31
Prostaglandin B3	ME451581	0.68	1.32
(??)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid	ME451278	0.68	1.32
Phaeophorbide b	ME451564	0.68	1.32
.alpha.-Hexylcinnamaldehyde	ME451291	0.71	1.29
Tyr-Gly	ME451629	0.70	1.30
9-Oxo-10(E),12(E)-octadecadienoic acid	ME451359	0.70	1.30
Homoorientin	ME451479	0.70	1.30
Saponarin	ME451589	1.22	0.78
Methyl dihydrojasmonate	ME451532	1.22	0.78
9-Oxo-11-(3-pentyl-2-oxiranyl)-10E-undecenoic acid	ME451361	1.22	0.78
Ile-Gln	ME451486	1.22	0.78
Strychnine	ME451601	1.23	0.77
Apigenin 6-C-glucoside 8-C-arabinoside	ME451381	1.23	0.77
Curcumol	ME451417	1.23	0.77
Isomaltose	ME451497	1.26	0.74
LysoPC 16:0	ME451525	1.25	0.75
4-Coumaric acid	ME451342	1.25	0.75
15-deoxy-delta12,14-Prostaglandin J2-2-glycerol ester	ME451305	1.25	0.75
2^-Deoxyadenosine	ME451322	1.25	0.75
Nandrolone	ME451544	1.24	0.76
L-Alanyl-L-norleucine	ME451510	1.24	0.76
Clindamycin	ME451413	1.24	0.76
Glucose 6-phosphate	ME451456	1.24	0.76
2-Chloro-3-deazaadenosine	ME451320	1.18	0.82
Thymidine	ME451612	1.18	0.82
Myclobutanil	ME451538	1.19	0.81
Luteolin	ME451523	1.19	0.81
Dihydrojasmonic acid	ME451431	1.19	0.81
3,5-Dimethoxycinnamic acid	ME451335	1.19	0.81
2-Hydroxycinnamic acid	ME451325	1.19	0.81
2-Linoleoylglycerol	ME451327	1.19	0.81
Aspartic acid	ME451390	1.21	0.79
trans-4-Coumaric acid	ME451614	1.21	0.79
Tetracycline	ME451602	1.20	0.80
SM 26:3; SM(d14:2/12:1)	ME451598	1.20	0.80
Pheophorbide a	ME451570	1.20	0.80
Deoxycytidine	ME451423	1.20	0.80
Neomenthyldiphenylphosphine oxide	ME451546	1.20	0.80
Thymine	ME451613	1.17	0.83
N,N-Dimethylguanosine	ME451539	1.17	0.83
Murrayazolinol	ME451537	1.17	0.83
Histidine	ME451477	1.17	0.83
Coumarin	ME451416	1.17	0.83
DGTS 21:1; DGTS(2:0/19:1)	ME451427	1.17	0.83
Trehalose	ME451618	1.14	0.86
Gln-Leu	ME451454	1.14	0.86
isorhamnetin	ME451500	1.14	0.86
Linoleic acid	ME451517	1.15	0.85
9,10-Epoxyoctadecenoic acid	ME451357	1.15	0.85
8(9)-Epoxy-5Z,11Z,14Z,17Z-eicosatetraenoic acid	ME451352	1.15	0.85
2-Aminoisobutyric acid	ME451317	1.15	0.85
3-(4-Hydroxyphenyl)-1-propanol	ME451332	1.15	0.85
Choline	ME451409	1.16	0.84
Tyrosine	ME451631	1.16	0.84
Somniferine	ME451599	1.28	0.72
Hydrocinnamic acid ethyl ester	ME451480	1.28	0.72
5-Methyldeoxycytidine	ME451348	1.28	0.72
Benzeneethanamine, 2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-4-nitro-	ME451396	1.28	0.72
Isothankunic acid	ME451502	1.30	0.70
Methionine	ME451530	1.30	0.70
5-Methylcytosine	ME451347	1.33	0.67
Propanediamide, N1-(5-chloro-2-hydroxyphenyl)-N3-octyl-	ME451577	1.31	0.69
Zeanoside B	ME451652	1.32	0.68
L-Pipecolic acid	ME451521	1.32	0.68
2-Hydroxy-3-methoxybenzaldehyde	ME451324	1.32	0.68
3-Hydroxybenzoic acid	ME451341	1.32	0.68
Glu-Val-Phe	ME451463	1.35	0.65
GlcADG 34:2; GlcADG(16:0/18:2)	ME451453	1.41	0.59
1-Kestose	ME451307	1.39	0.61
Nerolidyl acetate	ME451547	1.39	0.61
4-Hydroxybenzaldehyde	ME451343	1.37	0.63
Ile-Thr	ME451489	1.37	0.63
(卤)-Tryptophan	ME451290	0.92	1.08
PC(15:0/16:1(9Z))	ME451559	0.92	1.08
Indole-3-carboxyaldehyde	ME451493	0.92	1.08
9Z,11E,13E-Octadecatrienoic acid ethyl ester	ME451363	0.92	1.08
Dexmedetomidine	ME451426	0.92	1.08
Val-Pro	ME451644	0.90	1.10
1-Methyladenosine	ME451308	0.90	1.10
Gly-Trp	ME451468	0.90	1.10
Val-Trp	ME451647	0.91	1.09
Val-Asn	ME451637	0.91	1.09
Trp-Asp	ME451625	0.91	1.09
Isoleucyl-Leucine	ME451496	0.91	1.09
Ile-Arg	ME451485	0.91	1.09
9-Oxoprosta-10,12Z,14E-trienoic acid	ME451362	0.91	1.09
.beta.-Damascone	ME451292	0.91	1.09
Tyrosyl-Phenylalanine	ME451632	0.93	1.07
Pro-Pro	ME451579	0.93	1.07
N-Carbamoylputrescine	ME451545	0.93	1.07
Lovastatin	ME451520	0.93	1.07
Kaempferol-3-O-rutinoside	ME451506	0.93	1.07
Isonicotinic acid	ME451498	0.93	1.07
Gardneramine	ME451448	0.93	1.07
Deoxyguanosine	ME451424	0.93	1.07
Benzophenone	ME451397	0.93	1.07
26,27-Dinorcholest-5-en-24-yne-3,20-diol, (3.beta.)-	ME451315	0.93	1.07
3-Hydroxyanthranilic acid	ME451340	0.93	1.07
Tyr-Leu	ME451630	0.94	1.06
Pyrrolidine	ME451586	0.94	1.06
Cyclic GMP	ME451418	0.94	1.06
2-Isopropyl-5-methyl-2-hexenal	ME451326	0.94	1.06
Carbetapentane	ME451404	0.94	1.06
Val-Gly-Val	ME451640	0.95	1.05
Sinapic acid	ME451596	0.95	1.05
Rishitin	ME451587	0.95	1.05
Phe-Val	ME451573	0.95	1.05
Phe-Ala	ME451565	0.95	1.05
Ile-Tyr	ME451491	0.95	1.05
Dibutyl phthalate	ME451429	0.95	1.05
1,2-Dimethyl-4-(6-methyl-4-heptenyl)-1,3-cyclohexadiene	ME451296	0.95	1.05
2,5-Dimethyloxazole	ME451312	0.95	1.05
Thr-Pro	ME451609	0.96	1.04
Punicic acid	ME451584	0.96	1.04
Propofol	ME451578	0.96	1.04
D-Pipecolinic acid	ME451435	0.96	1.04
Ile-Lys	ME451487	0.96	1.04
Gly-Lys	ME451465	0.89	1.11
(E)-2,6-Dimethyl-2,5-heptadienoic acid	ME451283	0.89	1.11
Ambronide	ME451379	0.89	1.11
Dodeca-2(E),4(E)-dienoic acid	ME451434	0.89	1.11
Leu-Glu	ME451513	0.88	1.12
Furanylfentanyl	ME451445	0.88	1.12
7-Methylguanosine	ME451351	0.88	1.12
Docosatrienoic acid	ME451433	0.88	1.12
(Z)-Farnesol	ME451289	0.87	1.13
Idoxanthin	ME451483	0.87	1.13
Guanosine-3^,5^-cyclic monophosphate	ME451473	0.87	1.13
Carnosic acid	ME451405	0.87	1.13
Gly-Tyr	ME451469	0.87	1.13
Pyroglutamylvaline	ME451585	0.85	1.15
Piperidine	ME451575	0.85	1.15
Meperidine	ME451528	0.85	1.15
Ile-Trp	ME451490	0.85	1.15
DErySphingosine	ME451425	0.85	1.15
Clenbuterol	ME451412	0.85	1.15
2-trans-4-trans-7-cis-Decatrienal	ME451331	0.85	1.15
Acylcarnitine 19:4	ME451370	0.85	1.15
(S,E)-Lyratol propanoate	ME451287	0.86	1.14
Melilotigenin	ME451527	0.86	1.14
Acylcarnitine 13:0	ME451365	0.86	1.14
Arginyl-Proline	ME451383	0.86	1.14
3^,5^-Cyclic AMP	ME451334	0.82	1.18
Leu-Thr	ME451516	0.82	1.18
Phe-Gln	ME451567	0.83	1.17
1,2,3,4,Tetrahydro-1,5,7-trimethylnapthalene	ME451294	0.83	1.17
Gln-Phe	ME451455	0.83	1.17
Ile-Ala	ME451484	0.84	1.16
Glu-Trp	ME451462	0.84	1.16
Gibberellin A64	ME451451	0.84	1.16
alpha-dihydrotetrabenazine	ME451376	0.84	1.16
Eremopetasinorol	ME451438	0.84	1.16
Uracil	ME451634	1.13	0.87
12,13-Dihydroxy-9Z-octadecenoic acid	ME451303	1.13	0.87
Cyclohexanecarboxylic acid, 1-phenyl-, 2-(4-morpholinyl)ethyl ester	ME451419	1.13	0.87
N,O-Didesmethylvenlafaxine	ME451540	1.12	0.88
N-Acetylamphetamine	ME451542	1.12	0.88
Methyl jasmonate	ME451533	1.12	0.88
Leu-Gly-Leu	ME451514	1.12	0.88
Jasmonic acid	ME451505	1.12	0.88
Glu-Gly-Glu	ME451457	1.12	0.88
Anileridine	ME451380	1.12	0.88
Cytosine	ME451421	1.12	0.88
Val-Val-Val	ME451650	1.10	0.90
Tetradecylamine	ME451603	1.10	0.90
2^-O-Methyladenosine	ME451328	1.10	0.90
Esprocarb	ME451440	1.10	0.90
TG 36:3; TG(12:1/12:1/12:1)	ME451604	1.11	0.89
Sclareolide	ME451590	1.11	0.89
Palmitelaidic acid	ME451556	1.11	0.89
Methanone, (4-hydroxyphenyl)(1-pentyl-1H-indol-3-yl)-	ME451529	1.11	0.89
Hirsuteine	ME451474	1.11	0.89
Ginkgolide B	ME451452	1.11	0.89
9,10-DiHODE	ME451356	1.11	0.89
beta-Santalal	ME451400	1.11	0.89
Tyr-Gln	ME451628	1.07	0.93
Trp-Pro	ME451626	1.07	0.93
Tris(1,3-dichloro-2-propyl) phosphate	ME451623	1.07	0.93
O-Desmethyl-cis-tramadol	ME451552	1.07	0.93
cis-5,8,11-Eicosatrienoic acid	ME451411	1.07	0.93
2-Coumaric acid	ME451321	1.07	0.93
2-Piperidinone	ME451330	1.07	0.93
Stearamide	ME451600	1.06	0.94
Glu-Phe	ME451459	1.06	0.94
2-Phenylacetamide	ME451329	1.06	0.94
Fenpropimorph	ME451444	1.06	0.94
Val-Thr	ME451646	1.09	0.91
Monolinolenin (9c,12c,15c)	ME451535	1.09	0.91
Methylgingerol	ME451534	1.09	0.91
L-prolyl-L-proline	ME451522	1.09	0.91
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one	ME451345	1.09	0.91
17-Epiestriol	ME451306	1.09	0.91
2,2^,3,4,4^,5^,6-Heptabromodiphenyl ether	ME451311	1.09	0.91
Valine	ME451641	1.08	0.92
Palmitamide	ME451555	1.08	0.92
L-5-Oxoproline	ME451509	1.08	0.92
1-Octanone, 1-(4-methoxyphenyl)-2-(1-pyrrolidinyl)-	ME451309	1.08	0.92
Ile-Pro-Ile	ME451488	1.08	0.92
(Z)-1,3-Octadiene	ME451288	0.99	1.01
Thr-Tyr	ME451610	0.99	1.01
Phe-Pro	ME451571	0.99	1.01
Ethenyl acetate	ME451442	0.99	1.01
Cadabicine	ME451403	0.99	1.01
Asp-Tyr	ME451394	0.99	1.01
Arginine	ME451382	0.99	1.01
1,3,5-Benzenetriol	ME451297	0.99	1.01
6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one	ME451350	0.99	1.01
Val-Val	ME451649	0.98	1.02
Val-Phe	ME451643	0.98	1.02
Val-Asp	ME451638	0.98	1.02
(S)-p-Mentha-1,8-dien-10-yl acetate	ME451286	0.98	1.02
Palmitoyl ethanolamide	ME451557	0.98	1.02
His-Pro	ME451476	0.98	1.02
His-Leu	ME451475	0.98	1.02
Erucamide	ME451439	0.98	1.02
beta-Alanyl-L-lysine	ME451398	0.98	1.02
Asp-Trp	ME451393	0.98	1.02
Asn-Pro	ME451387	0.98	1.02
alpha-Ionene	ME451377	0.98	1.02
9,12-Octadecadiynoic acid	ME451358	0.98	1.02
(3S,6E,10E)-1,6,10,14-Phytatetraen-3-ol	ME451281	0.98	1.02
12(13)Ep-9-KODE	ME451302	0.98	1.02
3-Hydroxyadipic acid 3,6-lactone	ME451339	0.98	1.02
Val-Ser	ME451645	0.97	1.03
Thr-Phe	ME451608	0.97	1.03
Lysine	ME451524	0.97	1.03
Leu-Pro	ME451515	0.97	1.03
Glycyl-L-norleucine	ME451464	0.97	1.03
2-Aminonaphthalene	ME451318	0.97	1.03
(E)-6,10-Dimethyl-9-methylene-5-undecen-2-one	ME451284	0.97	1.03
Val-Ala	ME451636	1.04	0.96
trans-Ferulic acid	ME451615	1.04	0.96
Protoanemonin	ME451582	1.04	0.96
L-Methionine	ME451519	1.04	0.96
Iressa	ME451494	1.04	0.96
Gly-Pro	ME451467	1.04	0.96
Glutamine	ME451461	1.04	0.96
Glutamic acid	ME451460	1.04	0.96
.gamma.-Dodecalactone	ME451293	1.04	0.96
Butyl 4-hydroxybenzoate	ME451402	1.04	0.96
9-(Benzylamino)-1,2,3,4-tetrahydroacridin-1-ol	ME451355	1.04	0.96
Adenine	ME451373	1.04	0.96
Vitexin-2^^-O-rhamnoside	ME451651	1.05	0.95
Uridine	ME451635	1.05	0.95
Tris(2-chloropropyl) phosphate	ME451624	1.05	0.95
Ser-Ile	ME451591	1.05	0.95
Norecasantalic acid	ME451548	1.05	0.95
Glu-Leu	ME451458	1.05	0.95
Ala-Phe	ME451374	1.05	0.95
Cytarabine	ME451420	1.05	0.95
Tyr-Asp	ME451627	1.01	0.99
Threonine	ME451606	1.01	0.99
(S)-(+)-Citramailc acid	ME451285	1.01	0.99
Phenylalanine	ME451569	1.01	0.99
Oleamide	ME451553	1.01	0.99
Methyl (2E,6Z)-dodecadienoate	ME451531	1.01	0.99
Isovitexin	ME451503	1.01	0.99
Guanine	ME451471	1.01	0.99
Gly-Phe	ME451466	1.01	0.99
Gerberinol	ME451450	1.01	0.99
Ethylparaben	ME451443	1.01	0.99
Cordycepin	ME451414	1.01	0.99
Aspartyl-Leucine	ME451391	1.01	0.99
Ala-Tyr	ME451375	1.01	0.99
3,4-Methylenesebacic acid	ME451333	1.01	0.99
10-Undecynoic acid	ME451299	1.01	0.99
2-acetoxy-4-pentadecylbenzoic acid	ME451316	1.01	0.99
Thr-Val	ME451611	1.00	1.00
Thr-Leu	ME451607	1.00	1.00
Ser-Phe	ME451594	1.00	1.00
Ser-Lys	ME451593	1.00	1.00
Phytosphingosine	ME451574	1.00	1.00
PC(14:1(9Z)/16:0)	ME451558	1.00	1.00
Leu-Arg	ME451511	1.00	1.00
Keracyanin	ME451507	1.00	1.00
8Z,14Z-Eicosadienoic acid	ME451354	1.00	1.00
1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone	ME451298	1.00	1.00
2-Hexyl-4-pentynoic acid	ME451323	1.00	1.00
Val-Tyr	ME451648	1.02	0.98
(-)-Riboflavin	ME451277	1.02	0.98
O-(4-Hydroxybenzoyl)tropine	ME451549	1.02	0.98
Drofenine	ME451436	1.02	0.98
Diethyl phthalic acid	ME451430	1.02	0.98
Cer(d18:0/14:0)	ME451406	1.02	0.98
Asparagine	ME451388	1.02	0.98
Asn-Phe	ME451386	1.02	0.98
Ascorbic acid 6-palmitate	ME451385	1.02	0.98
9-Oxo-10E,12Z,15Z-octadecatrienoic acid	ME451360	1.02	0.98
5^-S-Methylthioadenosine	ME451349	1.02	0.98
3-Hydroxyadipic acid	ME451338	1.02	0.98
20-Hydroxyarachidonic acid	ME451314	1.02	0.98
2-Benzoxazolol	ME451319	1.02	0.98
Val-Lys	ME451642	1.03	0.97
Tyr-Thr	ME451633	1.03	0.97
Triethylene glycol monobutyl ether	ME451621	1.03	0.97
Tricin 7-diglucuronoside	ME451619	1.03	0.97
Ser-Pro	ME451595	1.03	0.97
N4-Acetylsulfadimethoxine	ME451541	1.03	0.97
Isoleucine	ME451495	1.03	0.97
Gly-Val	ME451470	1.03	0.97
Galaxolidone	ME451447	1.03	0.97
Gabapentin	ME451446	1.03	0.97
Betaine	ME451399	1.03	0.97
D-Alanine	ME451422	1.03	0.97

Factors:

F1	Treatment:control
F2	Treatment:Moisture treatment

Data matrix