Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Comprehensive analysis of transcriptome and metabolome in Intrahepatic Cholangiocarcinoma and Hepatocellular Carcinoma (Study ST000230)

ESI positive ion mode (Analysis AN000344)

Metabolite	Structure	F1	F2	F3	F4
ADMA	ME698576	1.29	0.63	1.53	0.55
Guanine	ME698656	1.06	0.58	1.94	0.41
1-Methyladenosine	ME698562	0.95	0.78	1.65	0.61
Hypoxanthine	ME698666	0.89	0.82	1.70	0.60
1-Methylhistamine	ME698563	0.86	0.79	1.77	0.72
Met	ME698693	0.78	0.82	1.72	0.68
Cytidine	ME698627	1.02	0.68	1.66	0.64
Hydroxyproline	ME698664	1.08	0.59	1.62	0.71
Guanidoacetic acid	ME698655	1.00	0.61	1.83	0.56
Neuraminic acid/ Miserotoxin/	ME698810	1.10	0.65	1.73	0.52
Histamine	ME698659	0.31	0.89	2.13	0.67
Urocanic acid	ME698768	0.36	0.83	2.05	0.76
5-Hydroxylysine	ME698573	0.74	0.62	1.97	0.68
Hypotaurine	ME698665	0.71	0.69	1.99	0.61
Kynurenine	ME698679	0.73	0.69	2.00	0.58
Gly-Val	ME698653	0.65	0.63	1.92	0.81
N6-Acetyllysine	ME698701	0.61	0.72	1.92	0.71
Anthranilic acid	ME698590	0.32	0.60	2.08	NA
Arg	ME698591	0.99	0.12	2.68	0.21
Dicyclohexylamine/	ME698796	0.35	0.35	2.40	0.90
Carnosine	ME698617	0.22	0.28	2.55	0.32
Taurine	ME698744	0.68	0.39	2.50	0.43
Pro-Ala	ME698723	0.13	0.26	1.53	1.93
Spermine	ME698742	0.36	0.53	1.68	1.66
Noradrenaline	ME698709	NA	0.66	0.30	1.48
Adenine	ME698574	1.39	1.37	0.57	0.67
Stachydrine	ME698743	1.38	1.19	0.57	0.86
Isovalerylcarnitine	ME698678	1.19	1.32	0.29	1.16
Ophthalmic acid	ME698712	1.26	1.07	0.40	1.27
3-Aminoisobutyric acid	ME698571	1.18	1.19	0.66	0.97
NMN	ME698708	1.09	1.30	0.52	1.01
Malonylcarnitine	ME698692	1.35	0.86	0.74	1.14
3,4-Dehydrothiomorpholine-3-carboxylate/	ME698783	1.23	1.01	0.68	1.03
Carnitine	ME698616	1.23	1.01	0.64	1.12
Homoserinelactone	ME698662	1.75	0.61	0.61	0.42
Trimethylamine	ME698756	1.92	0.58	0.43	0.50
Cysteine glutathione disulfide	ME698625	1.90	0.72	0.58	0.80
beta-Alanyl-L-lysine/ gamma-L-Glutamylputrescine/	ME698792	1.76	0.67	0.75	0.64
Phosphorylcholine	ME698720	1.88	0.62	0.88	0.62
Trimethylamine N-oxide	ME698757	1.44	1.22	0.93	0.42
N-Acetylhistidine	ME698705	1.57	0.78	0.84	0.98
Guanosine	ME698657	1.46	0.81	1.22	0.51
Adenosine	ME698575	1.37	1.01	0.86	0.77
Ergothioneine	ME698629	1.60	0.79	0.84	0.62
?-Butyrobetaine	ME698777	1.39	0.90	1.01	0.70
Homoserine	ME698661	1.48	0.82	1.00	0.55
?1-Methyl-2-pyrrolidone	ME698560	0.81	0.96	1.47	1.41
Melicopine/	ME698804	0.45	1.00	1.49	1.07
Ile-Gln/Leu-Gln	ME698671	0.62	0.78	1.42	1.18
Glu-Ile/Glu-Leu/Ile-Glu/Leu-Glu	ME698638	0.66	0.71	1.45	1.17
Lys-Tyr/Tyr-Lys	ME698690	0.69	0.75	1.45	1.11
Ala-Met	ME698585	0.79	0.81	1.36	1.04
Thr-Glu	ME698749	0.74	0.81	1.41	1.05
Tyr-Gly	ME698763	0.67	0.83	1.43	1.07
Ala-Ser/Thr-Gly	ME698586	0.68	0.84	1.34	1.14
Val-Arg_divalent	ME698770	0.67	0.83	1.36	1.14
Arg-Val	ME698601	0.54	0.86	1.45	1.12
Gly-Thr/Ser-Ala	ME698652	0.60	0.85	1.42	1.13
Ala-Val/Ile-Gly/Leu-Gly/Val-Ala	ME698589	0.53	0.88	1.41	1.18
Pro-Arg_divalent	ME698724	0.50	0.93	1.42	1.14
Asp-Lys	ME698610	0.57	0.91	1.33	1.19
Glu-Tyr/Tyr-Glu	ME698643	0.62	0.85	1.28	1.25
Glu-Lys/Lys-Glu	ME698639	0.44	0.82	1.57	1.17
Ile-Asp/Leu-Asp	ME698670	0.47	0.81	1.42	1.29
2-Phenylethylamine	ME698570	0.51	0.73	1.39	1.32
Phe-Val	ME698719	0.54	0.73	1.46	1.26
Argininosuccinic acid	ME698597	0.61	0.79	1.72	0.89
Asp	ME698609	0.50	0.96	1.74	0.80
Ile-Ala/Leu-Ala	ME698668	0.53	0.63	1.77	1.07
Methyldopa anhydrous/ Enicoflavine/	ME698806	0.54	0.58	1.63	1.22
1-Methylnicotinamide	ME698565	0.56	0.66	1.65	1.13
Ile-Thr/Thr-Ile/Thr-Leu	ME698674	0.55	0.64	1.65	1.15
N8-Acetylspermidine	ME698703	0.83	0.56	1.75	0.86
Phe-Asn	ME698716	0.81	0.61	1.67	0.91
Pro	ME698722	0.73	0.70	1.51	1.06
Glu-Glu	ME698637	0.68	0.69	1.62	1.01
Glu-Ser	ME698640	0.75	0.66	1.58	1.02
Ala-Asp/Asp-Ala	ME698581	0.62	0.83	1.53	1.01
Asp-Ser/Ser-Asp	ME698611	0.67	0.84	1.51	0.97
O-Acetylcarnitine	ME698710	0.68	0.78	1.63	0.91
Val-Glu	ME698772	0.75	0.78	1.55	0.92
Fructoselysine/	ME698799	0.56	1.23	1.28	0.92
Asn-Lys/Lys-Asn	ME698605	0.60	1.15	1.20	1.11
Lidocaine	ME698684	0.56	1.17	1.29	1.04
Ile-Val	ME698675	0.60	1.03	0.99	1.38
Ser-His	ME698737	0.58	0.97	1.03	1.42
Leu-His	ME698681	0.63	0.93	1.04	1.40
N-Acetylgalactosamine	ME698704	0.67	0.89	1.02	1.41
Arg-Tyr/Tyr-Arg	ME698600	0.59	0.92	1.11	1.39
Ile-Lys/Lys-Ile/Lys-Leu/Leu-Lys	ME698672	0.56	0.90	1.08	1.45
Spermidine	ME698741	0.67	0.81	1.20	1.33
Ala-Lys	ME698584	0.58	0.97	1.13	1.32
Tyr-Gln	ME698762	0.56	0.93	1.18	1.33
Ala-Tyr/Phe-Ser/Tyr-Ala	ME698588	0.65	0.91	1.18	1.26
Ile-Ser/Ser-Ile/Ser-Leu/Thr-Val/Val-Thr	ME698673	0.62	0.92	1.19	1.26
Arg-Ser/Ser-Arg	ME698598	0.65	1.00	1.11	1.25
Ile-Arg_divalent	ME698669	0.64	0.95	1.12	1.29
Gln-Thr/Thr-Gln	ME698633	0.68	0.95	1.18	1.20
Ala-Arg/Arg-Ala	ME698579	0.71	0.98	1.11	1.20
Val-His	ME698774	0.70	0.95	1.11	1.24
Gly-Lys/Lys-Gly	ME698650	0.68	1.09	1.20	1.03
Octanoylcarnitine	ME698711	0.73	1.00	1.26	0.95
Thr-Asp/Asp-Thr/Ser-Glu	ME698748	0.75	0.99	1.25	1.01
Asn-Val/Val-Asn	ME698608	0.79	0.90	1.11	1.21
Ala-Gly/Gly-Ala	ME698582	0.74	0.89	1.22	1.15
Ser-Thr	ME698739	0.75	0.89	1.17	1.20
N6-Methyllysine	ME698702	0.84	0.78	1.19	1.18
Ser-Ser	ME698738	0.81	0.84	1.25	1.10
Ala-Asn/Asn-Ala/Gly-Gln	ME698580	0.92	0.98	1.09	1.04
Metronidazole	ME698696	0.86	1.05	1.10	1.03
Thiaproline	ME698746	0.83	1.03	1.17	0.98
Ala-Ala	ME698578	0.85	0.93	1.09	1.12
Lys-Gln	ME698687	0.81	0.96	1.07	1.16
Ser-Gly/Gly-Ser	ME698736	0.78	1.00	1.05	1.17
Arg-Glu/Glu-Arg	ME698594	0.76	1.01	1.11	1.12
Thiomorpholine 3-carboxylate/	ME698818	0.74	1.04	1.12	1.15
Gly-Met/Met-Gly	ME698651	0.76	0.97	1.19	1.08
Thr-Lys	ME698750	0.72	1.00	1.17	1.11
Acetylcysteine/	ME698790	0.91	1.23	0.81	0.94
Phe-Gln	ME698717	0.83	1.12	0.88	1.16
Gln	ME698632	0.89	1.18	0.82	1.11
His	ME698658	0.86	1.20	0.86	1.08
Putrescine	ME698727	1.00	1.13	0.79	1.08
Inosine	ME698677	0.95	1.13	0.91	1.01
S-Adenosylhomocysteine	ME698731	0.99	1.08	0.89	1.05
Arg-Gln	ME698593	0.72	1.31	0.86	1.14
Ornithine	ME698713	0.66	1.25	1.04	1.06
N-Acetyl-L-citrulline/	ME698808	0.81	1.07	1.01	1.13
Ala	ME698577	0.74	1.15	0.99	1.11
Urethane/ 2-Nitropropane/ HMMF/	ME698819	0.77	1.11	1.04	1.08
Choline	ME698618	0.79	1.24	0.96	1.00
2-Aminobutyric acid	ME698568	0.80	1.19	0.93	1.08
Creatine	ME698621	0.78	1.17	0.98	1.07
Pro-Ser	ME698725	0.58	1.30	1.04	1.22
Pro-Val	ME698726	0.56	1.22	1.05	1.18
Asn-Glu	ME698603	0.54	1.31	0.92	1.29
Gly-His/His-Gly	ME698648	0.51	1.34	0.96	1.19
Val-Gly/N-Acetylornithine	ME698773	0.64	1.10	1.02	1.24
Val-Lys	ME698775	0.65	1.14	0.96	1.26
Ala-Thr/Thr-Ala	ME698587	0.70	1.04	1.02	1.24
Arg-Thr	ME698599	0.63	1.03	1.04	1.30
Pipecolic acid	ME698721	0.58	1.06	0.90	1.45
Ala-His/His-Ala	ME698583	0.69	1.06	0.89	1.37
Arg-Gly/Gly-Arg	ME698595	0.67	1.13	0.87	1.33
Lys-Ala	ME698686	0.62	1.10	0.96	1.33
Met-Gln	ME698694	0.62	1.20	0.91	1.30
Asn-Thr/Ser-Gln/Thr-Asn	ME698607	0.58	1.16	0.93	1.33
Lys-Ser/Ser-Lys	ME698689	0.57	1.16	0.91	1.36
Ser	ME698735	1.10	0.95	1.02	0.92
Asn-Ser/Ser-Asn	ME698606	1.04	0.95	0.97	1.04
Gly-Asn	ME698645	1.07	0.97	0.96	0.99
Creatinine	ME698622	1.15	1.06	0.98	0.81
Urea	ME698766	1.04	1.08	1.05	0.83
Met-Thr	ME698697	1.19	0.77	0.92	1.07
Gly-Ile/Gly-Leu	ME698649	1.16	0.70	1.33	0.81
Imidazolelactic acid	ME698676	1.16	0.84	1.04	0.96
Cystathionine	ME698624	1.19	0.79	1.16	0.86
Butyrylcarnitine/Isobutyrylcarnitine	ME698615	1.11	0.75	1.14	0.99
Citrulline	ME698620	1.14	0.74	1.18	0.94
Val-Asp	ME698771	0.95	0.78	1.19	1.09
Gly-Gly	ME698647	0.94	0.74	1.42	0.89
Thr-Thr	ME698751	0.99	0.70	1.33	0.98
Asn-Ile/Asn-Leu/Ile-Asn/Leu-Asn/Val-Gln	ME698604	0.89	0.74	1.33	1.04
cis-4-Hydroxyproline	ME698619	0.90	0.71	1.38	1.01
N5-Ethylglutamine	ME698700	0.83	1.02	1.46	0.70
Ile	ME698667	0.92	0.89	1.42	0.77
Tyr	ME698759	0.91	0.96	1.40	0.73
Glu	ME698634	1.07	0.95	1.25	0.73
Trp	ME698758	1.03	0.96	1.25	0.77
Asn	ME698602	0.89	1.13	1.16	0.82
Arg-Asn/Asn-Arg	ME698592	0.84	0.95	1.32	0.94
Thr	ME698747	0.82	0.86	1.36	0.96
Val	ME698769	0.90	0.98	1.29	0.83
Leu	ME698680	0.86	0.97	1.31	0.86
Uracil	ME698765	0.88	0.97	1.31	0.84
Lys	ME698685	0.85	1.04	1.23	0.88
Phe	ME698714	0.86	1.01	1.27	0.86
Cryptolepine/	ME698793	0.93	0.92	1.23	0.91
Gly	ME698644	0.92	1.02	1.15	0.90
Cys	ME698623	0.57	0.54	0.98	1.91
Cytosine	ME698628	0.71	0.99	0.96	2.03
Maculosin/	ME698803	0.24	0.76	1.28	1.70
Leu-Ile/Leu-Leu	ME698682	0.49	0.71	1.30	1.50
Tyramine	ME698760	0.27	0.67	1.32	1.38
Oxotremorine/ Isoproturon/ Monoethylglycinexylidide/	ME698813	0.40	0.95	1.06	1.36
Lys-Phe/Phe-Lys	ME698688	0.41	0.89	1.10	1.60
Arg-Ile/Arg-Leu/Leu-Arg	ME698596	0.47	0.93	1.15	1.45
Lys-Val	ME698691	0.46	0.93	1.12	1.49
16alpha-Bromo-17beta-estradiol(0)/	ME698781	0.28	1.05	1.15	1.52
Fortimicin KL1/	ME698798	0.39	1.18	0.95	1.47
(R)-1-Aminopropan-2-ol/ 1-Aminopropan-2-ol/	ME698779	0.38	1.11	1.08	1.44
Hordenine	ME698663	0.21	0.84	0.94	1.74
N-Methylethanolamine phosphate/ D-1-Aminopropan-2-ol O-phosphate/ L-1-Aminopropan-2-ol O-phosphate/	ME698811	0.43	1.07	0.92	1.84
Vulgaxanthin-II/ Psorospermin/ S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine/ Methylophiopogonone A/	ME698820	0.55	0.81	0.79	1.81
3-beta-D-Galactosyl-sn-glycerol/ Dyphylline/ 2-(beta-D-Glucosyl)-sn-glycerol/	ME698784	0.48	0.91	0.81	1.71
Leu-Phe	ME698683	0.44	0.91	0.90	1.75
Thr-Tyr/Tyr-Thr	ME698752	0.42	0.89	0.95	1.73
Betonicine	ME698614	1.00	0.95	0.39	1.47
Glycerophosphocholine	ME698646	0.73	1.34	0.52	1.41
ß-Ala	ME698776	0.71	1.36	0.65	1.28
Gluconolactone	ME698635	0.88	0.94	0.78	1.40
His-Thr/Thr-His	ME698660	0.77	1.10	0.75	1.38
Sarcosine	ME698733	0.77	1.18	0.69	1.37
DIBOA-glucoside/	ME698795	0.34	1.35	0.43	1.66
Thiamine	ME698745	0.31	1.35	0.58	1.62
Pyridoxamine 5^-phosphate	ME698728	0.37	1.51	0.41	1.71
S-Methylglutathione	ME698740	0.29	1.53	0.34	1.84
?-Glu-Cys	ME698778	0.13	1.07	0.76	1.57
Glucosamine	ME698636	0.31	1.17	0.48	1.44
Phe-Thr	ME698718	0.32	1.18	0.75	1.74
Phe-Arg_divalent	ME698715	0.53	1.14	0.71	1.62
Tyr-Arg_divalent	ME698761	0.37	1.24	0.81	1.58
GABA	ME698631	0.45	1.32	0.77	1.46
Tyr-His	ME698764	0.45	1.32	0.68	1.55
Homospermidine/ Aminopropylcadaverine/	ME698800	0.32	1.18	0.31	2.08
Thymine	ME698753	0.45	1.15	0.49	1.91
Glutathione (GSH)	ME698641	0.56	0.88	0.61	1.95
N-Ethylglycine	ME698706	0.68	0.78	0.49	1.66
Guanidinosuccinic acid	ME698654	0.16	2.34	0.24	1.13
Fagomine/	ME698797	0.55	2.15	0.35	0.63
L-Norleucine/ 6-Aminohexanoate/ -beta-Leucine/ beta-Alaninebetaine/ N,N-Diethylglycine/	ME698802	0.61	2.08	0.37	0.79
5,6-Dihydrothymine/ gamma-Amino-gamma-cyanobutanoate/ alpha-Amino-gamma-cyanobutanoate/	ME698787	0.42	1.92	0.43	1.04
N1-Methyl-4-pyridone-5-carboxamide	ME698699	0.47	1.84	0.66	0.86
Methaphenilene/	ME698805	0.50	1.74	0.30	0.75
4-(Trimethylammonio)but-2-enoate/	ME698785	0.71	1.90	0.40	0.89
S-Allyl-L-cysteine/	ME698817	0.71	1.82	0.43	0.76
1-Methyl-4-imidazoleacetic acid	ME698561	0.72	1.85	0.67	0.76
5-Aminovaleric acid	ME698572	0.82	1.72	0.56	0.73
Nagilactone C/ Vernolide/ Gibberellin A8-catabolite/	ME698809	0.69	1.57	0.44	1.03
SDMA	ME698734	0.89	1.42	0.67	1.02
Betaine	ME698612	0.93	1.60	0.58	0.89
Norfloxacin/	ME698812	1.04	1.58	0.45	1.02
1,2,3,4,6,7,8,9-Octachlorodibenzofuran/	ME698780	0.37	1.82	0.51	1.30
Uridine	ME698767	0.70	1.54	0.49	1.26
Pantetheine 4^-phosphate/	ME698814	0.46	1.65	0.56	1.33
N,N-Dimethylglycine	ME698698	0.63	1.66	0.43	1.28
RU-0211/ 6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate/	ME698816	0.54	1.73	0.44	1.29
N-Acetyl-D-fucosamine/ N-Acetyl-D-quinovosamine/	ME698807	0.26	1.57	0.72	0.94
Dehydrocostus lactone/ Eremanthin/ Dehydromyodesmone/ 3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone/ Curzerenone/ Furanodienone/ Linderenol/ Isodehydrocostus lactone/	ME698794	0.38	1.50	0.81	1.34
6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione/ 9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione/	ME698789	0.47	1.57	0.71	1.24
Trigonelline	ME698755	0.39	1.52	0.71	1.28
4-Aminobenzoate/ 4-Nitrotoluene/	ME698786	0.52	1.65	0.78	0.97
Nicotinamide	ME698707	0.66	1.50	0.77	1.07
Methionine sulfoxide	ME698695	0.94	1.24	1.23	0.59
Glutathione (GSSG)_divalent	ME698642	1.10	1.40	0.75	0.75
Ethanolamine	ME698630	0.93	1.33	0.91	0.83
1-Methylhistidine	ME698564	0.92	1.37	1.01	0.70
Prenyl-L-cysteine/	ME698815	0.85	1.25	1.00	0.77
Atherospermidine/	ME698791	0.66	1.86	0.92	0.48
Saccharopine	ME698730	0.47	1.66	1.11	0.76
Betaine aldehyde_+H2O	ME698613	1.35	1.94	0.39	0.33
3-(Pyrazol-1-yl)-L-alanine/	ME698782	0.77	1.34	NA	NA
Isopropylamine/	ME698801	1.43	0.78	NA	NA
trans-Glutaconic acid	ME698754	1.20	0.98	0.63	NA
2-Methylserine	ME698569	2.23	0.82	0.42	0.45
S-Adenosylmethionine	ME698732	2.44	0.52	0.60	0.43
2-Aminoadipic acid	ME698567	2.72	0.54	0.37	0.37
Cystine	ME698626	2.61	0.43	0.45	0.50
1-Pyrroline 5-carboxylic acid	ME698566	1.40	0.52	1.12	NA
5-Phosphonooxy-L-lysine/ 2-Deoxystreptamine phospahte/ 2-Deoxystreptamine 4-phosphate/ Phosphoallohydroxy-L-lysine/	ME698788	2.00	0.19	1.48	0.19

Factors:

F1	Tissue Type:HCC (Hepatocellular carcinoma)
F2	Tissue Type:HCC-NT (surrounded non tumor of HCC)
F3	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)
F4	Tissue Type:ICC-NT (surrounded non tumor of ICC)

Data matrix