Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003307)

(Analysis AN005418)

Metabolite	Structure	F1	F2	F3	F4
2(5H)-Furanone	ME866146	0.35	0.68	1.85	1.03
(20E)-Ginsenoside F4	ME866434	0.07	0.43	2.40	0.95
1-Isopropyl citrate	ME866629	0.91	1.09	0.92	1.06
1-Carboxycyclohexaneacetic Acid	ME866445	1.08	1.13	0.80	0.94
1,2,5-Trihydroxypyrrole-3-sulfonic acid	ME866518	1.07	1.00	0.93	1.03
12-oxo-PDA	ME866343	0.88	1.10	0.93	1.03
(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one	ME866201	0.06	0.21	2.76	0.85
12S-HHT	ME866160	0.95	1.03	0.98	1.03
2-(Diisopropylamino)ethanol	ME866535	1.02	1.03	0.94	1.00
Alpha,gamma-Onoceradienedione	ME866597	0.85	0.92	1.19	1.05
Desogestrel	ME866366	1.76	0.90	0.06	0.56
Epsilon-Caprolactam	ME866095	1.08	1.01	0.93	1.01
4-Hydroxyretinoic acid	ME866240	0.32	1.57	0.12	0.67
Beta-Thujaplicin	ME866110	0.15	0.65	2.10	0.86
Desmethylmisonidazole	ME866618	1.22	1.06	0.75	1.05
Cyclo(his-pro)	ME866619	0.05	0.16	2.49	0.62
DG(8:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0)	ME866235	0.44	1.52	0.44	0.92
Alpha-Terpineol acetate	ME866283	1.22	0.93	0.95	0.98
Alpha-curcumene	ME866276	0.92	0.98	1.09	0.99
7a-Hydroxyandrost-4-ene-3,17-dione	ME866551	1.08	1.30	0.51	1.07
Chavicol	ME866558	1.12	0.90	1.04	1.05
4-Methyl-5-Thiazoleethanol	ME866626	1.10	0.85	1.13	0.99
Caprylic acid	ME866191	1.02	0.95	1.03	1.04
Dopamine	ME866396	1.01	1.01	0.97	1.03
Cnp-maltotrioside	ME866501	1.00	1.09	0.91	0.94
Cinnamaldehyde	ME866326	1.14	0.98	0.91	1.03
4-Mercapto-ethyl-pyridine	ME866471	1.02	1.04	0.93	1.01
Eremopetasinorol	ME866426	0.16	0.24	2.65	0.85
8-Amino-7-oxononanoic acid	ME866190	1.30	1.01	0.77	1.04
4-Amino-5-hydroxymethyl-2-methylpyrimidine	ME866609	1.23	1.10	0.72	0.98
9,19-Cyclolanost-25-ene-3,24-diol	ME866603	0.41	0.73	1.76	0.96
5alpha-Androst-1-en-3-one	ME866547	0.78	1.51	0.46	1.01
Ecklonialactone A	ME866161	0.97	1.01	0.98	1.04
Alpha-Elemolic acid	ME866393	NA	0.20	2.01	0.32
Alpha-Irone	ME866158	0.33	0.71	1.84	0.99
4-Vinylcyclohexene	ME866241	0.37	0.55	2.09	0.86
5-Hydroxycapsanthin-5,6-epoxide	ME866543	1.02	1.01	0.98	0.99
(7-methoxy-1-benzofuran-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone	ME866578	0.26	0.37	2.38	0.93
4-Guanidinobutanoic Acid	ME866482	1.11	1.06	0.82	1.04
ANETHOLE	ME866407	0.37	0.94	1.47	1.04
5-HPETE	ME866639	1.27	1.07	0.69	1.06
9(S)-HODE	ME866333	0.86	0.95	1.17	0.99
4-Hydroxymethylpyrazole	ME866607	0.88	0.90	1.20	1.03
Dihydroceramide	ME866262	0.74	0.90	1.30	1.00
12(S)-HETrE	ME866368	1.16	1.02	0.87	0.99
1-Pentanol	ME866122	1.14	1.00	0.87	1.08
3,5,5-Trimethyl-1,2-cyclohexanedione	ME866505	0.98	0.91	1.12	1.03
2-Pentyl-3-phenyl-2-propenal	ME866363	0.11	1.14	1.38	1.04
3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole	ME866104	2.53	0.73	0.24	1.19
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid	ME866372	0.39	0.43	2.23	0.87
3-Hydroxy-4-aminopyridine sulfate	ME866627	1.03	1.01	0.94	1.04
5-Megastigmen-7-yne-3,9-diol 3-glucoside	ME866142	1.12	1.25	0.57	1.05
Cerulenin	ME866101	1.18	1.29	0.47	1.05
Dehydrophytosphingosine	ME866499	0.41	0.53	2.07	0.91
Daucol	ME866209	1.10	0.81	1.14	1.09
Dihydrozeatin	ME866462	NA	0.08	1.97	0.58
4-Hydroxynonenal	ME866328	0.76	0.91	1.28	1.00
Dehydrovomifoliol	ME866642	0.35	0.60	1.97	0.97
DL-4-Hydroxyphenyllactic Acid	ME866115	0.08	0.09	2.01	0.49
4-Hydroxybenzaldehyde	ME866622	1.07	0.99	0.95	1.05
Etiracetam	ME866399	0.97	1.10	0.87	1.03
CHEBI:69439	ME866432	1.31	1.06	0.68	1.07
Decyl alcohol	ME866406	NA	0.11	1.88	0.42
Arkofix	ME866228	1.10	1.02	0.92	0.98
Euscaphic acid	ME866589	0.85	0.94	1.18	1.02
4alpha-Methylzymosterol	ME866152	0.47	1.01	1.35	0.98
5^-Phosphoribosyl-N-formylglycinamide	ME866487	0.78	0.97	1.20	0.97
Cinnamyl acetate	ME866392	0.44	0.94	1.47	0.98
Butylisopropylamine	ME866218	1.01	1.03	0.95	1.01
DG(16:1(9Z)/14:1(9Z)/0:0)	ME866270	1.03	1.03	0.93	1.03
Dihydrotachysterol	ME866131	0.27	0.84	1.72	0.97
5^-Deoxy-5-fluorouridine	ME866224	1.09	1.04	0.86	1.04
Bafilomycin A1(Baf-A1)	ME866424	NA	0.28	1.91	0.62
Dimethyl Sulfoxide	ME866485	1.17	1.00	0.89	0.98
Carotol	ME866108	1.04	1.17	0.70	1.08
Dihydroconiferyl alcohol	ME866137	0.92	1.12	0.87	1.03
5-Methyl-2-furaldehyde	ME866515	0.99	1.01	0.97	1.02
Beta-D-ribosylnicotinate	ME866492	0.27	0.75	1.94	0.77
Cnidilide	ME866141	0.87	1.05	1.05	0.93
Eicosapentaenoic acid	ME866194	0.46	0.79	1.62	1.02
Diethanolamine	ME866633	1.04	1.21	0.65	1.09
4-Aminobutyraldehyde	ME866638	0.93	0.96	1.09	1.02
9,12,13-TriHOME	ME866294	1.08	0.96	1.01	0.99
(E)-6,10-Dimethyl-9-methylene-5-undecen-2-one	ME866205	1.11	0.86	1.15	0.93
Citreoviridinol A1	ME866369	0.19	1.01	1.36	1.08
Carteolol	ME866395	1.25	1.30	0.47	0.93
Clavulanate	ME866102	1.01	1.11	0.83	1.03
3-(4-Hydroxy-3-methoxyphenyl)-2-methylpropionic acid	ME866577	0.32	0.56	2.07	0.94
3alpha-Hydroxyoreadone	ME866435	0.39	1.07	1.29	1.04
3-Hydroxyibuprofen	ME866090	0.12	0.39	2.40	0.77
(2alpha,3beta)-20(29)-Lupene-2,3,28-triol	ME866339	0.19	0.60	2.10	0.96
2-Butyne-1,4-diol	ME866417	0.51	0.38	0.45	4.40
3,4-dihydroxyphenylacetic Acid	ME866433	0.56	0.96	1.34	1.02
1-Methyl-2-Pyrrolidinone	ME866440	1.43	1.02	0.64	1.10
(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid	ME866293	0.96	1.35	0.54	1.04
2-Phenylethanol glucuronide	ME866093	0.21	0.31	2.52	0.84
1,25-Dihydroxyvitamin D3-26,23-lactone	ME866588	0.72	0.97	1.25	0.96
1-Methyl-2-hydroadenosine	ME866628	0.83	1.03	1.06	1.03
2-Hydroxypurine	ME866621	0.76	0.84	1.35	1.02
Chenodeoxycholylserine	ME866254	0.89	0.81	1.32	1.02
16-Hydroxyhexadecanoic acid	ME866150	1.04	0.87	0.92	1.43
2-Amino-2-methyl-1-propanol	ME866613	0.93	1.14	0.84	1.02
3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid	ME866357	0.40	1.01	1.43	0.93
1,25-Dihydroxy-19-norvitamin D3	ME866275	0.27	0.58	2.18	0.73
1-Methyl-1,3-cyclohexadiene	ME866136	0.45	0.77	1.67	1.02
12-Ketodeoxycholic acid	ME866562	0.48	1.16	1.12	1.04
2-Phenylacetamide	ME866425	1.28	1.12	0.60	1.11
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate	ME866573	0.05	0.11	2.40	0.61
1,2,3,4-Tetrahydronaphthalene	ME866309	0.86	1.05	1.02	1.01
13,16,19-Docosatrienoic acid	ME866602	0.28	0.72	1.88	0.95
(3E,5E)-1,3,5-octatriene	ME866338	0.74	0.93	1.26	1.00
12-Hydroxy-8,10-octadecadienoic acid	ME866231	0.95	1.11	0.86	1.03
1,10-Epoxygermacrone	ME866250	0.83	1.60	0.25	1.12
2-n-Propyl-4-oxopentanoic acid	ME866347	1.23	1.00	0.84	1.02
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylbutyl)piperidine-3-carboxamide	ME866290	1.01	1.10	0.84	1.04
4,5-Dihydrovomifoliol	ME866247	0.41	0.83	1.44	1.37
2-Amino-3-cyclohexylpropanoic acid	ME866281	1.14	1.04	0.83	1.03
2-Cyclopentene-1,4-dione	ME866580	0.93	1.01	1.02	1.03
2,2-Dimethyl-5-hydroxy-1-pyrrolidinyloxy	ME866091	1.10	1.21	0.64	1.03
2-Hydroxypent-3-enenitrile	ME866423	1.03	1.14	0.75	1.09
2-Acetoxy-4-Pentadecylbenzoic Acid	ME866533	0.99	0.97	1.04	1.00
2-Hydroxy-4-oxo-5,12-heneicosadien-1-yl acetate	ME866256	1.00	1.01	0.98	1.01
13,16-Docosadienoic acid	ME866259	0.21	0.44	1.75	0.87
2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid	ME866458	0.87	0.82	1.33	1.02
3-O-(beta-D-Glucopyranosyl)-soyasapogenol B	ME866582	0.11	0.53	2.24	0.99
Cinncassiol C2	ME866345	1.05	1.36	0.44	1.09
(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol	ME866121	NA	0.23	2.02	0.50
4-(1,1,3,3-Tetramethylbutyl)-phenol	ME866263	1.04	0.82	1.23	0.97
2-Hexenoylcarnitine	ME866420	NA	NA	1.27	0.19
2-Hydroxyadenine	ME866319	0.73	0.89	1.34	0.98
17-Hydroxylinolenic acid	ME866179	0.97	0.98	1.05	1.00
2-Hydroxyacetophenone	ME866565	1.74	1.09	0.34	1.08
1,25-Dihydroxy-16-ene-23-yne-vitamin D3	ME866566	1.10	1.14	0.80	0.88
2,4,4-Trimethylcyclopentanone	ME866349	1.02	0.98	1.02	0.99
2-trans-6-cis-Dodecadienal	ME866350	0.79	1.12	0.99	1.00
3-ethylphenyl Sulfate	ME866442	0.77	1.25	0.85	0.96
2-Phenyl-1,3-propanediol monocarbamate	ME866630	1.11	1.23	0.58	1.06
2,5-Heptadien-1-ol	ME866168	0.92	1.05	0.99	0.99
2-Pyrrolidinone	ME866623	1.04	1.04	0.90	1.03
1-Naphthol	ME866390	0.57	1.03	1.24	1.02
3-Ketosphingosine	ME866230	1.08	0.85	1.23	0.84
(20R)-Ginsenoside Rh2	ME866306	0.22	0.61	2.08	0.92
3,5-Dihydroxy-6,7-megastigmadien-9-one	ME866575	0.17	0.37	2.44	0.90
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone	ME866530	1.07	0.86	1.17	0.94
3-Methylsuberic acid	ME866457	1.04	1.09	0.84	1.02
5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one	ME866606	0.93	1.07	0.95	1.02
20-Carboxy-leukotriene B4	ME866325	0.99	1.47	0.36	1.04
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate	ME866212	0.13	0.45	2.03	0.34
Dibutylamine	ME866437	1.36	0.99	0.77	1.02
Annonacin	ME866291	1.10	1.01	0.53	1.62
Ethyl 3-hydroxydodecanoate	ME866391	1.13	0.97	0.92	1.06
Acetylisoniazid	ME866129	2.53	0.91	0.19	0.82
Cytosine	ME866615	0.78	1.00	1.16	0.97
5(S)-Hydroperoxyeicosatetraenoic acid	ME866208	0.23	1.85	0.09	0.97
Adenine	ME866483	0.81	0.97	1.18	0.99
9,10-Epoxystearic acid	ME866195	0.59	0.89	1.42	1.00
Epoxyeremopetasinorol	ME866397	0.24	0.69	1.92	1.02
Cysteinylhydroxyproline	ME866474	1.41	1.28	0.32	1.06
C2 PHYTOCERAMIDE	ME866264	0.68	0.96	1.26	1.01
Coniferaldehyde	ME866385	2.32	0.91	0.23	1.03
2-(Octadecyloxy)ethanol	ME866317	1.05	1.04	0.90	1.04
Butyrylcarnitine	ME866387	1.12	1.35	0.43	1.05
Carvone	ME866154	0.82	1.23	0.82	0.97
11-Oxohexadecanoic acid	ME866554	1.00	0.99	1.02	1.00
6,9,12,15,18,21-Tetracosahexaenoic acid	ME866585	0.09	0.52	2.31	0.88
Betulin	ME866307	0.30	0.63	1.99	0.94
4-[[4-[(1-propylsulfonylpiperidin-4-yl)methyl]phenyl]methoxy]pyridine	ME866361	1.02	1.39	0.41	1.11
13(S)-Hydroperoxylinolenic acid	ME866120	1.00	1.05	0.88	1.09
22-Angeloylbarringtogenol C	ME866147	0.30	0.67	1.89	1.04
(3S,3^S,5R,5^R,6R)-3,6-Epoxy-5,6-dihydro-3^,5,8^-trihydroxy-beta,kappa-caroten-6^-one	ME866523	0.86	1.11	0.92	1.05
(3E,5Z)-3,5-Octadien-1-ol	ME866574	1.15	1.07	0.79	1.02
(3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol	ME866527	1.14	0.89	1.03	1.05
2-Aminobutan-1-ol	ME866584	1.06	1.03	0.87	1.09
2-hydroxy-3-methyl-2-Cyclopenten-1-one	ME866514	1.01	1.05	0.93	1.00
15-keto-PGE1	ME866348	1.03	1.05	0.91	1.00
(2S,3S)-3-Decyl-2-Hydroxy-2-(3-Methoxy-3-oxopropyl)butanedioic Acid	ME866296	1.48	1.42	0.09	1.06
Arctiol	ME866526	1.12	0.86	1.11	1.00
D6-Ambrettolide	ME866337	0.32	0.73	1.80	1.02
Enalaprilat	ME866644	1.27	1.40	0.28	1.01
4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol	ME866166	0.34	0.77	1.80	0.88
Deoxycholylarginine	ME866197	1.04	1.02	0.94	1.03
Alpha-Cyperol	ME866210	0.95	0.92	1.15	0.97
Crotetamide	ME866117	1.01	1.17	0.76	1.01
4-O,6-O-Benzylidene-alpha-D-glucopyranose	ME866358	0.13	0.30	2.57	0.89
6-Methyl-5,6-dihydro-4H-1,3-thiazin-2-amine	ME866484	0.73	0.99	1.21	0.96
Eugenol	ME866418	0.48	0.72	1.72	0.99
9-Hydroxylinoleic acid	ME866178	0.93	0.93	1.13	1.00
Alpha-Muricholic Acid	ME866640	0.15	0.66	2.05	0.93
Dillanol	ME866555	1.43	0.52	1.39	0.93
Betulinic acid	ME866386	NA	0.13	2.12	0.49
Alpha-Bisabolol oxide B	ME866323	0.85	0.97	1.14	0.99
Curdione	ME866261	1.29	1.16	0.57	1.07
Estradiol-17alpha 3-D-glucuronoside	ME866330	1.66	1.37	0.03	1.08
Benzeneacetonitrile	ME866156	0.91	0.98	1.08	1.01
Cafestol	ME866297	0.96	1.01	0.99	1.04
Acetolein	ME866624	0.84	1.19	0.84	1.04
Beta-Cortol	ME866512	0.82	1.00	1.12	1.01
Cis-Quinceoxepane	ME866248	1.02	0.89	1.12	1.03
5-KETE	ME866215	1.08	1.51	0.28	0.99
Biuret	ME866491	1.43	0.89	0.88	0.97
Cyclohexane	ME866217	1.02	1.03	0.95	1.01
Barringtogenol C	ME866382	0.06	0.57	1.79	0.74
6-deoxoteasterone	ME866130	0.06	0.48	2.36	0.93
Capsidiol	ME866305	0.84	0.90	1.26	0.97
4-Octylphenol	ME866531	0.15	0.54	2.33	0.56
Doxazosin	ME866145	1.65	0.74	NA	0.82
9-Tetradecenoic acid	ME866185	0.38	0.69	1.88	0.90
5,6-Epoxy-8,11,14-eicosatrienoic acid	ME866186	0.75	1.01	1.14	1.03
6-Dehydrotestosterone glucuronide	ME866133	2.03	0.67	NA	0.51
Dihydroceramide C2	ME866258	0.67	0.90	1.37	0.97
DG(8:0/a-17:0/0:0)	ME866118	NA	0.23	2.00	0.54
5-(6-hydroxy-6-methyloctyl)furan-2(5H)-one	ME866173	0.06	0.19	2.75	0.92
Deoxyadenosine	ME866643	0.91	1.09	0.93	1.03
Aminocaproic acid	ME866498	0.83	1.22	0.80	1.02
Clausarinol	ME866089	1.14	0.91	1.01	1.04
25(R)-Hydroxyprotopanaxadiol	ME866282	NA	0.05	1.80	0.35
9H-Purine-9-ol	ME866463	0.80	0.95	1.17	1.06
Actein	ME866213	1.16	0.69	1.20	1.21
Epigoitrin	ME866464	0.59	0.86	1.43	1.06
5^-Deoxyadenosine	ME866475	0.79	1.05	1.09	0.96
Epothilone D	ME866304	2.64	0.82	0.14	0.99
D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose	ME866267	0.87	0.97	1.15	0.95
5,6,7,8-tetrahydro-2-Naphthoic Acid	ME866419	0.31	0.41	2.25	0.99
Daunosamine	ME866327	1.00	1.03	0.96	1.01
Deoxycytidine	ME866620	0.89	1.09	0.92	1.06
15-Deoxyprostaglandin J2	ME866135	0.09	1.13	1.33	0.68
All-trans-13,14-dihydroretinol	ME866237	1.46	0.93	0.81	0.96
Cucurbic acid	ME866232	0.96	1.10	0.95	0.87
Adenosine	ME866473	0.85	1.02	1.09	0.97
4-Piperidinone, 1-hydroxy-2,2,6,6-tetramethyl-	ME866414	1.20	1.10	0.73	1.02
Epinepetalactone	ME866415	0.55	1.25	0.94	1.03
Epsilon-(Carboxymethyl)lysine	ME866477	0.98	1.22	0.72	1.01
7alpha,17beta-Dihydroxyandrost-4-en-3-one	ME866591	0.96	1.13	0.84	1.03
Dmap-ethyl-paf	ME866540	0.84	1.11	0.94	1.05
Cortisone acetate	ME866641	0.36	0.88	1.65	0.89
Diethyltoluamide	ME866344	0.32	0.97	1.50	0.97
Cholylsarcosine	ME866285	0.74	0.75	1.51	1.01
Dalfopristin	ME866128	0.48	0.89	1.46	1.07
D-(+)-dihydrocarvone	ME866198	1.08	0.81	1.19	1.02
6-Deoxocastasterone	ME866289	1.08	1.01	0.90	1.07
Alpha-Ionone	ME866608	1.12	0.89	1.05	1.03
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one	ME866568	0.09	0.52	2.08	0.87
DL-p-Chlorophenylalanine methyl ester hydrochloride	ME866106	1.16	0.99	0.88	1.04
5-Hydroxy-2-imino-1-methylimidazolidin-4-one	ME866470	0.92	1.09	0.91	1.03
Dodecanol	ME866271	1.11	0.90	1.03	1.05
5-Hydroxy-3,3^,4^,7,8-pentamethoxyflavone	ME866245	1.27	1.10	0.69	0.98
(+/-)7-epi Jasmonic Acid	ME866342	0.92	0.92	1.14	1.02
Chlorobenzene	ME866438	1.06	1.04	0.91	1.00
Coniferyl alcohol	ME866352	1.56	0.82	NA	0.73
4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone	ME866308	0.85	1.02	1.07	1.01
2-Keto-6-acetamidocaproate	ME866302	0.98	0.92	1.16	0.93
4-[(2R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]butanamide	ME866192	0.15	0.30	2.53	0.93
Delta-CEHC	ME866170	0.60	1.08	1.16	0.99
Carbamothioic acid, diethyl-	ME866409	1.97	0.94	0.38	1.11
4-Hydroxyquinoline	ME866096	0.93	1.01	1.03	1.00
Cytidine	ME866611	0.64	0.83	1.53	0.89
Ascorbyl stearate	ME866288	0.95	1.70	0.06	1.07
3-Iodoprop-2-yn-1-yl Butylcarbamate	ME866223	1.02	1.06	0.96	0.91
3-Methyl-3H-imidazo[4,5-f]quinolin-2-Amine	ME866444	1.13	1.04	0.84	1.05
Cycloart-23-ene-3beta,25-Diol	ME866610	0.42	0.59	1.99	0.89
(5xi,9xi,13xi,18xi,19beta)-3-Oxolup-20(29)-en-28-oic Acid	ME866315	0.68	0.99	1.24	0.99
Cajanol	ME866567	1.54	1.46	0.03	1.00
Cis-Dihydrocarvone	ME866378	0.56	0.78	1.56	1.04
Brassidic acid	ME866164	0.90	0.87	1.18	1.13
2-Amino-4-oxo-6-(1^,2^-dioxoprolyl)-7,8-dihydroxypteridine	ME866599	0.88	0.99	1.11	0.96
7-Acetylintermedine	ME866233	NA	1.36	NA	0.29
4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al	ME866278	1.32	0.82	1.09	0.88
(+)-Dehydrovomifoliol	ME866427	0.15	0.43	2.28	0.91
Camelliagenin C	ME866312	0.77	0.97	1.20	0.99
Dihydrojasmonic acid	ME866163	1.07	0.94	1.01	1.05
Andrographolide	ME866202	0.35	1.52	0.07	0.80
Behenic acid	ME866322	0.79	0.85	1.10	1.48
Cidofovir	ME866227	1.02	1.08	0.90	0.95
Cuminaldehyde	ME866401	0.19	1.39	1.04	0.96
8-Hydroxyquinoline	ME866441	0.90	0.87	1.31	0.87
Dihydrouracil	ME866616	0.99	1.01	0.99	1.02
9(S)-HPODE	ME866510	0.82	1.00	1.13	1.00
Eremopetasidione	ME866177	0.15	0.34	2.56	0.78
Betaine	ME866503	0.97	1.13	0.85	0.98
Cetyl recinoleate	ME866286	1.26	1.05	0.91	0.69
4-oxo-Retinoic acid	ME866335	1.49	1.28	0.28	1.06
Cyclopentanol	ME866593	0.94	0.92	1.15	0.98
Ala-Leu	ME866449	0.92	0.99	1.03	1.05
Cyclo(L-Phe-L-Pro)	ME866400	1.11	1.06	0.82	1.05
Ethyl hydrogen fumarate	ME866601	1.04	1.02	0.94	1.02
Alisol A	ME866364	0.28	0.89	1.66	0.95
Cyclooctyne	ME866193	0.37	0.68	1.85	0.99
Alisol B	ME866524	1.21	0.90	0.98	1.04
Alpha-Terpineol propanoate	ME866204	0.55	0.93	1.28	1.24
Coumarin	ME866359	2.01	1.16	0.08	1.04
Cyperolone	ME866353	0.24	0.80	1.77	0.99
Etaspirene	ME866569	0.21	0.57	2.12	0.96
5-Hydroxyoct-2-enedioylcarnitine	ME866493	0.91	1.32	0.62	1.01
Dehydrocurdione	ME866310	1.12	1.08	0.81	1.01
3-Oxo-12,18-ursadien-28-oic acid	ME866511	0.45	0.73	1.75	0.94
DG(i-14:0/PGJ2/0:0)	ME866257	1.10	1.42	0.30	1.13

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