Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003307)

Reversed phase NEGATIVE ION MODE (Analysis AN005419)

Metabolite	Structure	F1	F2	F3	F4
20-Carboxyleukotriene B4	ME866692	1.04	1.44	0.37	1.03
1-Methyladenosine	ME866855	0.99	1.06	0.92	1.01
3^-thiacytidine	ME866772	1.00	1.03	0.95	1.01
18-HEPE	ME866738	1.11	1.16	0.71	1.00
(1R,2S,3S,4R)-p-Menthane-2,3-diol	ME866813	1.66	1.15	0.34	1.04
Boldenone	ME866765	1.32	1.36	0.28	1.06
Bufotalin	ME866749	1.18	1.01	0.99	0.78
1,4-Cyclohexanedicarboxylic acid	ME866822	0.99	1.02	0.98	1.01
2-Hydroxycineol	ME866834	1.04	1.16	0.76	1.00
DIDP	ME866895	0.68	1.27	0.82	1.06
9-Oxo-11-(3-pentyloxiran-2-YL)undec-10-enoic acid	ME866919	0.83	0.87	1.35	0.88
(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one	ME866914	0.36	0.62	1.98	0.92
4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol	ME866940	1.24	1.08	0.72	1.02
5-(4-Methyl-5-Oxo-2H-Furan-3-Yl)Pentanoic Acid	ME866874	1.55	0.97	0.67	1.02
3-Hexen-1-ol	ME866842	0.47	0.76	1.73	0.89
2beta-Hydroxytestosterone	ME866818	0.84	1.51	0.42	1.02
4a-Methylzymosterol-4-carboxylic acid	ME866939	0.23	0.55	2.18	0.87
Coniferyl Aldehyde	ME866839	1.83	1.10	0.31	1.02
Dodecylbenzenesulfonic Acid	ME866803	1.14	1.10	1.15	0.25
Deoxyloganic acid	ME866668	0.38	0.42	2.24	0.88
28-Norbrassinolide	ME866713	1.03	1.13	0.80	1.00
Gamma-Tocotrienol	ME866735	0.53	0.74	1.69	0.92
(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one	ME866817	1.15	1.07	0.81	1.01
Ethyl (S)-3-hydroxybutyrate glucoside	ME866672	1.24	1.05	0.76	1.01
Acetylvalerenolic acid	ME866886	0.70	1.50	0.52	1.02
6-beta-hydrocortisol	ME866761	1.61	1.13	0.38	1.07
Dehydroandrographolide succinate	ME866677	2.12	0.94	0.04	0.94
1,4-Pentanediamine, N4-(5-(hexyloxy)-6-methoxy-4-methyl-8-quinolinyl)-	ME866711	0.84	1.08	0.96	1.07
2,6-Dichloro-4-nitrophenol	ME866907	0.98	0.98	1.06	0.98
4-(undecan-5-yl)benzene-1-Sulfonic Acid	ME866746	0.94	0.99	1.03	1.06
9,10,13-TriHOME	ME866827	0.99	1.01	1.00	1.00
Corchorifatty acid D	ME866918	1.00	1.10	0.86	1.02
Arenobufagin	ME866755	0.06	1.94	0.06	1.00
Algestone	ME866728	0.16	1.83	0.32	1.27
3-Methyl-2-Oxovaleric Acid	ME866936	0.80	1.04	1.07	1.01
Acetyl-DL-Leucine	ME866865	1.37	1.04	0.68	1.05
Ganoderiol I	ME866917	1.22	0.84	1.07	1.00
12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid	ME866682	1.19	1.04	0.80	1.04
9-Oxo-nonanoic acid	ME866819	0.91	0.94	1.14	0.98
13(S)-HODE	ME866904	0.86	0.90	1.25	0.95
3,4-Methylenedioxybenzaldehyde	ME866873	1.69	1.08	0.38	1.09
3beta-Hydroxy-5,7-androstadien-17-one	ME866743	0.77	1.58	0.00	0.77
(9Z,12R)-12-Hydroxyoctadec-9-enoic acid	ME866782	0.86	0.96	1.16	0.97
ACRL Toxin II	ME866932	0.97	1.38	0.50	1.01
(3S)-3-hydroxycyclocitral	ME866793	0.92	0.97	1.15	0.89
Alpha-Bisabolol oxide A	ME866699	1.06	0.94	1.04	1.00
Diethyl Phthalate	ME866693	0.83	1.06	1.02	1.02
Dihydrocorticosterone	ME866920	0.25	1.74	0.38	1.28
Arabinofuranosylguanine	ME866783	0.79	1.07	1.04	1.01
(17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione	ME866795	1.02	1.34	0.50	1.07
Danielone	ME866881	1.05	0.93	1.07	0.99
1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione	ME866753	1.32	1.04	1.19	0.09
Aflatoxin B2	ME866691	1.21	1.24	0.53	1.02
Arbaprostil	ME866784	0.38	0.60	2.00	0.91
Diethylpropion	ME866721	0.99	0.96	1.07	0.99
15-HETE	ME866905	1.07	1.03	0.93	0.98
(3S,6E)-Nerolidol	ME866714	1.13	0.86	1.11	0.98
9,10-Dihydroxystearic acid	ME866941	0.95	1.02	1.00	1.01
12,13-DHOME	ME866801	1.19	0.95	0.91	1.06
9(S)-HpOTrE	ME866916	1.02	1.14	0.80	1.02
4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol	ME866762	0.92	0.97	1.11	0.97
Acebutolol	ME866862	0.28	0.30	2.47	0.87
5-Deoxykievitol	ME866852	2.39	0.87	0.22	1.06
3-Hydroxybenzoic Acid	ME866875	1.05	1.09	0.82	1.05
[6]-Gingerdione	ME866694	1.22	1.08	0.75	1.00
3-Hydroxysintaxanthin	ME866775	0.20	1.78	0.34	1.29
11(R)-HEDE	ME866781	0.94	0.79	1.34	0.95
6-Hydroxyhexanoic Acid	ME866866	0.91	1.07	0.94	1.04
12-Hydroxydodecanoic acid	ME866799	1.27	0.95	0.88	1.01
9,10-Epoxyoctadecanoic acid	ME866942	0.88	0.98	1.11	0.99
Floionolic acid	ME866802	0.82	0.98	1.15	0.99
3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al	ME866774	0.32	1.94	0.15	1.10
2-(Trifluoromethoxy)anisole	ME866858	1.08	1.15	0.71	1.09
4-Methylbenzoic Acid	ME866669	0.53	0.91	1.47	0.93
4,4-Dimethyl-2-[3-carboxylatopropyl]-2-tridecyloxazolidine 3-oxide	ME866926	0.57	0.75	1.64	0.95
Dehydrocostus Lactone	ME866670	1.08	1.09	0.79	1.08
3-Indolebutyric acid	ME866768	NA	0.02	1.69	0.27
Abscisic Acid	ME866678	0.42	0.57	2.00	0.92
Cis-12-Oxophytodienoic acid	ME866816	0.92	1.54	0.32	1.03
Docosanedioic acid	ME866722	1.59	0.93	0.72	0.96
4-Nitrophenol	ME866938	1.05	1.02	0.93	1.02
Dodecyl Hydrogen Sulfate	ME866744	1.17	0.93	0.94	1.06
4-Decan-4-Ylbenzenesulfonic Acid	ME866747	0.90	0.98	1.07	1.06
4-Methoxy-1-naphthol	ME866929	2.41	1.04	0.01	1.00
2-Hydroxypentanoic Acid	ME866884	1.02	1.09	0.86	1.01
4-Hydroxy-3-polyprenylbenzoate	ME866937	0.71	1.59	0.44	0.94
2-Hydroxy-3-Methylbutyric Acid	ME866888	1.07	1.20	0.64	1.09
4-Methoxycinnamic Acid	ME866675	1.17	1.18	0.63	1.03
Dynorphin A 1-8	ME866821	0.01	0.25	2.49	0.68
18-Dehydroursolic acid 3-arabinoside	ME866723	1.75	1.25	0.12	1.08
5,10-Pentadecadien-1-ol	ME866794	0.88	0.87	1.26	0.98
Geosmin	ME866792	0.29	0.65	1.99	0.90
1,2-Anhydridoniveusin	ME866780	1.17	0.68	1.34	0.93
Brassinolide	ME866943	1.01	1.16	0.78	0.99
4-Oxoproline	ME866662	0.93	1.13	0.87	1.03
Falcarindiol	ME866754	1.68	1.17	0.26	1.12
FAPy-adenine	ME866892	0.61	0.87	1.50	0.85
2-Methoxyestrone	ME866798	1.27	1.38	0.28	1.08
Ferulic Acid	ME866845	1.86	1.00	0.43	0.98
2-Methoxy-5-nitrophenol	ME866860	0.95	0.97	1.08	0.99
Echinocystic acid	ME866725	1.42	0.99	0.73	1.01
Dodecanedioic Acid	ME866944	0.89	1.10	0.90	1.07
Ezetimibe-glucuronide	ME866897	1.04	1.07	0.88	1.01
19-Oxotestosterone	ME866778	1.33	1.45	0.16	1.04
19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid	ME866720	1.02	1.29	0.60	1.01
1-Kestose	ME866660	0.78	0.95	1.23	0.94
1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)-	ME866730	1.65	1.13	0.32	1.15
27-Hydroxyisomangiferolic acid	ME866741	1.20	0.83	1.13	0.92
18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid	ME866824	1.16	1.15	0.68	1.02
1-Hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid	ME866931	1.08	0.96	1.02	0.95
Bolandiol	ME866828	1.45	1.36	0.21	1.01
Azelaic Acid	ME866851	1.05	1.04	0.87	1.08
2-Cyclohexen-1-one	ME866674	0.21	0.58	2.12	0.93
AVOCADENE ACETATE	ME866716	1.02	1.12	0.82	1.00
3-trans-p-Coumaroylrotundic acid	ME866715	1.10	1.58	0.13	1.07
5-Hydroxyindoleacetate	ME866797	0.95	0.88	1.23	0.93
Frangulanine	ME866769	0.39	0.51	2.12	0.89
Artemorin	ME866829	1.33	1.12	0.60	1.02
Cannabigerolate	ME866796	0.23	0.64	2.05	0.88
Cinncassiol D3	ME866836	0.90	1.39	0.54	1.02
Ethyl pentyl ketone	ME866704	0.71	0.79	1.48	0.98
Cinncassiol A	ME866864	0.03	0.13	2.66	0.69
Benzyl butyl phthalate	ME866690	2.14	1.15	0.03	1.02
2-Aminooxybenzoic acid	ME866843	1.26	1.08	0.75	0.94
2-Dodecoxyethyl Hydrogen Sulfate	ME866748	1.02	0.83	1.16	1.10
20-Cooh ltb4	ME866901	1.01	1.10	0.86	1.00
Calanolide A	ME866701	1.60	1.38	0.12	0.93
2^^,4^^-Bis-O-(4-hydroxycinnamoyl)astragalin	ME866687	1.31	1.48	0.18	0.95
Furohyperforin	ME866751	1.14	0.91	1.09	0.87
Chikusetsusaponin Ia	ME866924	0.40	0.65	1.92	0.89
Carbenoxolone	ME866732	1.17	0.77	1.18	1.02
Ethyl glucuronide	ME866719	0.71	0.87	1.42	0.90
2,3-dinor Prostaglandin E1	ME866709	1.02	0.96	1.00	1.07
2,6-diamino-4-hydroxy-5-formamidopyrimidine	ME866891	0.51	0.76	1.72	0.85
24-Oxo-1alpha,23,25-trihydroxyvitamin D3	ME866727	1.39	1.26	0.33	1.12
3-Hexenal	ME866708	0.84	0.92	1.22	0.98
5^-Methylthioadenosine	ME866898	1.08	1.05	0.87	1.01
Doxercalciferol	ME866737	0.93	0.81	1.34	0.93
Ecdysone	ME866707	1.18	1.38	0.32	1.09
Dipropyl-5-CT	ME866736	1.21	1.31	0.41	1.05
2-phospho-D-glycerate	ME866935	1.27	0.78	1.40	0.42
(2^E,4^Z,7^Z,8E)-Colnelenic acid	ME866733	0.09	0.37	2.54	0.80
3,4-Dimethylbenzenesulfonic acid	ME866872	2.06	0.75	0.59	1.07
11-Hydroxyandrosterone	ME866702	0.87	1.39	0.56	1.00
12-Hydroxyjasmonic acid glucoside	ME866863	0.42	0.53	2.05	0.92
Cibaric acid	ME866853	1.28	1.22	0.50	1.04
3-hydroxypentadecanoic acid	ME866696	0.75	1.19	0.91	1.02
Elatoside G	ME866685	0.14	0.40	2.51	0.73
Carmofur	ME866726	1.29	1.44	0.19	1.06
Cyclopentanecarboxylic acid	ME866680	0.99	0.91	1.10	1.03
Arginyllysine	ME866767	1.21	1.35	0.35	1.07
Ensulizole	ME866666	0.82	0.53	1.78	0.94
11H-14,15-EETA	ME866773	0.60	1.64	0.37	1.08
Corchorifatty acid F	ME866697	0.97	0.98	1.05	0.99

Factors:

F1	endo-borneol concentration:0
F2	endo-borneol concentration:0.1 mg/L
F3	endo-borneol concentration:100 mg/L
F4	endo-borneol concentration:QC

Data matrix