#METABOLOMICS WORKBENCH Tennouji_20150714_9274021_mwtab.txt DATATRACK_ID:353 STUDY_ID:ST000231 ANALYSIS_ID:AN000345 PROJECT_ID:PR000186
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Comprehensive analysis of transcriptome and metabolome analysis in Intrahepatic
PR:PROJECT_TITLE                 	and Hepatocellular Carcinoma
PR:PROJECT_TYPE                  	Population Genetics for comparison between cholangiocarcinoma and
PR:PROJECT_TYPE                  	carcinoma
PR:PROJECT_SUMMARY               	Intrahepatic cholangiocarcinoma (ICC) and hepatocellular carcinoma (HCC) are
PR:PROJECT_SUMMARY               	originated malignant tumors. The prognosis of ICC is generally worse than that
PR:PROJECT_SUMMARY               	HCC because there is lack of early diagnostic marker for ICC and the
PR:PROJECT_SUMMARY               	mechanism of ICC is not fully understood. So our aim was to perform metabolome
PR:PROJECT_SUMMARY               	transcriptome analysis to reveal the carcinogenetic mechanism and to detect an
PR:PROJECT_SUMMARY               	diagnostic marker for ICC Ten ICC and 6 HCC which were resected surgically,
PR:PROJECT_SUMMARY               	enrolled. miRNA and mRNA expression analysis were performed by microarray on
PR:PROJECT_SUMMARY               	and HCC and their corresponding non-tumor tissues (ICC_NT and HCC_NT). Compound
PR:PROJECT_SUMMARY               	was performed using capillary electrophoresis time-of-flight mass spectrometry
PR:PROJECT_SUMMARY               	Principle component analysis (PCA) revealed that our four sample groups
PR:PROJECT_SUMMARY               	ICC_NT, HCC, and HCC_NT) have 14 compounds, 62 mRNAs and 17 miRNAs with
PR:PROJECT_SUMMARY               	expressive patterns. There were two distinct patterns among the 4 groups; one
PR:PROJECT_SUMMARY               	tumor and non-tumor, the other is ICC and non-ICC. To clarify the biological
PR:PROJECT_SUMMARY               	of individual genes and compounds, we performed pathway analysis. ICC formation
PR:PROJECT_SUMMARY               	related to RNA synthesis, amino acid synthesis, and glucose-lipid synthesis
PR:PROJECT_SUMMARY               	ICC was classified by distinct pattern of compounds with high accuracy
PR:PROJECT_SUMMARY               	PCA revealed that several pathways were associated with the development of
PR:PROJECT_SUMMARY               	and distinguished ICC from other diseases. These findings are a promising step
PR:PROJECT_SUMMARY               	establishing novel biomarkers that can be clinically applicable.
PR:INSTITUTE                     	Osaka City University
PR:DEPARTMENT                    	Department of Hepatology
PR:LAST_NAME                     	Murakami
PR:FIRST_NAME                    	Yoshiki
PR:ADDRESS                       	1-4-3, asahimachi, Abeno-ku, Osaka 545-8585, Osaka Japan
PR:EMAIL                         	m2079633@med.osaka-cu.ac.jp
PR:PHONE                         	81-6-6645-3811
#STUDY
ST:STUDY_TITLE                   	Comprehensive analysis of transcriptome and metabolome in Intrahepatic
ST:STUDY_TITLE                   	and Hepatocellular Carcinoma (part II)
ST:STUDY_TYPE                    	tissue type comparison
ST:STUDY_SUMMARY                 	Cholangiocarcinoma tissue, surrounded non-tumor tissue, Hepatocellular
ST:STUDY_SUMMARY                 	tissue, and surrounded non-tumor tissue were compared via metabolomic analysis.
ST:INSTITUTE                     	Osaka City University
ST:DEPARTMENT                    	Department of Hepatology
ST:LAST_NAME                     	Murakami
ST:FIRST_NAME                    	Yoshiki
ST:ADDRESS                       	1-4-3, asahimachi, Abeno-ku, Osaka 545-8585, Osaka Japan
ST:EMAIL                         	m2079633@med.osaka-cu.ac.jp
ST:PHONE                         	81-6-6645-3811
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	9 samples
#SUBJECT
SU:SUBJECT_TYPE                  	human tissue
SU:SUBJECT_SPECIES               	Homo sapiens
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	25	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	27	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	29	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	31	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	26	Tissue Type:ICC-NT (surrounded non tumor of ICC)	
SUBJECT_SAMPLE_FACTORS           	-	28	Tissue Type:ICC-NT (surrounded non tumor of ICC)	
SUBJECT_SAMPLE_FACTORS           	-	30	Tissue Type:ICC-NT (surrounded non tumor of ICC)	
SUBJECT_SAMPLE_FACTORS           	-	32	Tissue Type:ICC-NT (surrounded non tumor of ICC)	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	-
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 6220 TOF
MS:INSTRUMENT_TYPE               	TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:TUBE_LENS_VOLTAGE             	ANION (NEGATIVE)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak area
MS_METABOLITE_DATA_START
Samples	1	25	27	29	31	26	28	30	32
Factors	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	Tissue Type:ICC-NT (surrounded non tumor of ICC)	Tissue Type:ICC-NT (surrounded non tumor of ICC)	Tissue Type:ICC-NT (surrounded non tumor of ICC)	Tissue Type:ICC-NT (surrounded non tumor of ICC)
1-Pyrroline-2-carboxylate(6.28)/ (S)-1-Pyrroline-5-carboxylate(6.28)/ 3;4-Dihydro-2H-Pyrrole-2-carboxylate(6.28)/ Glutarimide(6.28)/	0.0019		0.0007	0.0002		0.0007	0.0005	0.0002	0.0007
(1R;2S)-1-Hydroxypropane-1;2;3-tricarboxylate(4.68)/ 5-Dehydro-4-deoxy-D-glucarate(4.68)/	0.0037	0.0004	0.0023	0.0012		0.0018	0.0014	0.0016	0.0013
2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1;3;4]oxadiazole(-5.61)/	0.0004	0.0003				0.0007	0.0006	0.0004	0.0004
2;3-Diphosphoglyceric acid	0.0007	0.0001	0.0004	0.0001		0.0006	0.0010	0.0030	0.0018
2;7-Anhydro-alpha-N-acetylneuraminic acid(5.97)/ 2-Deoxy-2;3-dehydro-N-acetylneuraminic acid(5.97)/ Sarmentosin epoxide(5.97)/	0.0004	0.0008	0.0001	0.0002	0.0003	0.0013	0.0009	0.0006	0.0010
2(alpha-D-Mannosyl)-D-glycerate(4.96)/	0.0004	0.0007	0.0003	0.0003	0.0006	0.0010	0.0007	0.0004	0.0007
2-Hydroxybutyric acid	0.0047	0.0056	0.0035	0.0035	0.0041	0.0098	0.0067	0.0062	0.0041
2-Hydroxyglutaric acid	0.0010	0.0009	0.0015	0.0004	0.0016	0.0009	0.0004	0.0004	0.0008
2-Hydroxyvaleric acid	0.0018		0.0009	0.0009		0.0006	0.0008	0.0010	0.0006
2-Phosphinomethylmalate(2.12)/		0.0002				0.0003			
2-Phosphoglyceric acid	0.0003		0.0002				0.0002	0.0002	
3-Hydroxybutyric acid	0.0054	0.0148	0.0035	0.0053	0.0053	0.0156	0.0029	0.0074	0.0055
3-Phenylpropionic acid	0.0011	0.0008	0.0006	0.0003	0.0022	0.0010	0.0006	0.0007	0.0009
3-Phosphoglyceric acid	0.0017	0.0003	0.0013	0.0009		0.0003	0.0014	0.0013	
5-Hydroxypentanoate(5.25)/			0.0002						
(5-L-Glutamyl)-L-glutamine(8.36)/ N-Succinyl-L-citrulline(8.36)/	0.0029	0.0005	0.0003	0.0001	0.0004	0.0010	0.0008	0.0014	0.0017
5-Oxoproline	0.0067	0.0027	0.0039	0.0016	0.0037	0.0029	0.0029	0.0052	0.0060
6-Phosphogluconic acid	0.0006	0.0007	0.0002			0.0030	0.0011	0.0004	0.0024
Adenylosuccinic acid	0.0016	0.0003	0.0000			0.0012	0.0010	0.0001	0.0015
ADP	0.0081	0.0062	0.0043	0.0027	0.0014	0.0254	0.0136	0.0086	0.0207
ADP-glucose/GDP-fucose	0.0007	0.0004	0.0003	0.0001		0.0006	0.0008	0.0003	0.0006
ADP-ribose	0.0022	0.0020	0.0028	0.0008	0.0017	0.0025	0.0023	0.0014	0.0008
AMP	0.0354	0.0350	0.0119	0.0074	0.0273	0.0559	0.0346	0.0088	0.0414
Ascorbic acid		0.0284			0.0013	0.0339	0.0234	0.0047	0.0211
ATP	0.0029	0.0009	0.0026	0.0014		0.0100	0.0038	0.0067	0.0115
cAMP	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0001
CDP	0.0001	0.0000	0.0001			0.0002	0.0001		0.0002
CDP-choline	0.0028	0.0019	0.0010	0.0007	0.0022	0.0034	0.0031	0.0009	0.0018
cis-Aconitic acid				0.0009					0.0004
Citric acid	0.0123		0.0015	0.0154		0.0021	0.0023	0.0017	0.0045
CMP	0.0008	0.0003	0.0003	0.0001	0.0004	0.0010	0.0005	0.0001	0.0009
CoA_divalent		0.0004				0.0015	0.0013	0.0001	0.0021
CTP		0.0000	0.0000			0.0001	0.0000	0.0000	0.0001
D-Alanyl-D-alanine(-2.93)/ N5-Methyl-L-glutamine(-2.93)/ N-gamma-Acetyldiaminobutyrate(-2.93)/ Daminozide(-2.93)/	0.0010	0.0004		0.0005		0.0006	0.0004	0.0005	0.0004
D-Glucosamine 6-phosphate(3.86)/ 1-Amino-1-deoxy-scyllo-inositol 4-phosphate(3.86)/ D-Galactosamine 1-phosphate(3.86)/ alpha-D-Glucosamine 1-phosphate(3.86)/ D-Galactosamine 6-phosphate(3.86)/ Kanosamine 6-phosphate(3.86)/ Aminofructose 6-phosphate(3.86)/	0.0006	0.0019	0.0007	0.0002	0.0012	0.0026	0.0019	0.0023	0.0012
Dihydroxyacetone phosphate	0.0009	0.0021	0.0013	0.0007	0.0008	0.0022	0.0021	0.0017	0.0009
D-myo-Inositol 1;2-cyclic phosphate(9.5)/ 6-Deoxy-5-ketofructose 1-phosphate(9.5)/	0.0008	0.0002	0.0003	0.0001	0.0006	0.0002	0.0008	0.0008	0.0004
dTMP			0.0000						
D-Xylonate(4.93)/ L-Arabinonate(4.93)/ D-Arabinonate(4.93)/ D-Ribonate(4.93)/ L-Xylonate(4.93)/ L-Lyxonate(4.93)/	0.0024	0.0009	0.0022	0.0006		0.0028	0.0014	0.0018	0.0016
D-Xylulose 5-phosphate(3.91)/ alpha-D-Ribose 1-phosphate(3.91)/	0.0006	0.0013				0.0022	0.0017	0.0011	0.0019
Erythrose 4-phosphate		0.0003							0.0002
Ethanolamine phosphate	0.0447	0.0174	0.0358	0.0222	0.0578	0.0216	0.0338	0.0235	0.0196
FAD_divalent	0.0004	0.0008	0.0002	0.0001		0.0014	0.0011	0.0008	0.0012
Fructose 1;6-diphosphate			0.0007	0.0006					
Fructose 6-phosphate	0.0006	0.0016	0.0008	0.0001	0.0008	0.0024	0.0007	0.0007	0.0020
Fructoselysine 6-phosphate(2.91)/	0.0002	0.0003	0.0001	0.0001		0.0005	0.0003	0.0001	0.0003
Fumaric acid	0.0060	0.0051	0.0016		0.0027	0.0115	0.0098	0.0064	0.0157
Galacturonic acid			0.0028			0.0005	0.0005		0.0008
gamma-L-Glutamyl-D-alanine(4.58)/	0.0005	0.0002	0.0002	0.0002	0.0006	0.0005	0.0004	0.0003	0.0003
GDP	0.0014	0.0007	0.0006	0.0003		0.0022	0.0014	0.0007	0.0019
GDP-glucose/GDP-mannose/GDP-galactose	0.0012	0.0013	0.0003	0.0002	0.0001	0.0026	0.0012	0.0004	0.0018
Glucaric acid	0.0004	0.0003	0.0001		0.0001	0.0009	0.0008	0.0003	0.0006
Gluconic acid	0.0023	0.0060	0.0016	0.0006	0.0023	0.0066	0.0029	0.0044	0.0034
Glucose 1-phosphate	0.0007	0.0011	0.0005	0.0004	0.0015	0.0012	0.0006	0.0008	0.0010
Glucose 6-phosphate	0.0014	0.0048	0.0031	0.0006	0.0040	0.0080	0.0023	0.0027	0.0063
Glyceric acid	0.0010	0.0006	0.0012	0.0008		0.0007		0.0009	
Glycerol 3-phosphate	0.0277	0.0658	0.0157	0.0052	0.0132	0.1054	0.0603	0.0452	0.0872
Glycocholic acid	0.0039	0.0058	0.1313	0.0000	0.0003	0.0036	0.0095	0.0024	0.0115
GMP	0.0074	0.0035	0.0042	0.0031	0.0029	0.0069	0.0049	0.0012	0.0073
GTP	0.0004	0.0001	0.0003	0.0001		0.0006	0.0005	0.0006	0.0005
Heptanoic acid			0.0003			0.0004	0.0004		0.0003
Hexanoic acid		0.0004	0.0006	0.0004		0.0004	0.0003		0.0003
Homovanillic acid	0.0004	0.0007	0.0003	0.0003		0.0009	0.0006	0.0007	0.0005
IMP	0.0029	0.0015	0.0004	0.0002	0.0028	0.0025	0.0010	0.0003	0.0021
Isopimpinellin(8.81)/ Glycerophosphoglycerol(-0.52)/ 2;3^;4;6-Tetrahydroxybenzophenone(8.81)/ Pimpinellin(8.81)/	0.0014	0.0016	0.0020	0.0007	0.0021	0.0023	0.0021	0.0020	0.0020
Isosorbide mononitrate(1.41)/ O-Oxalylhomoserine(1.41)/ Nitrilotriacetic acid(1.41)/	0.0003	0.0006	0.0001	0.0000	0.0003	0.0010	0.0004	0.0002	0.0006
Lactic acid	0.7426	0.6192	0.6200	0.5878	0.8416	0.6703	0.7106	0.6743	0.4060
Lauric acid	0.0062	0.0011	0.0025	0.0014		0.0020	0.0028	0.0014	0.0013
L-Cystine(7.2)/ Cystine(7.2)/	0.0017		0.0006	0.0008	0.0031			0.0010	0.0003
Malic acid	0.0417	0.0434	0.0161	0.0065	0.0156	0.0803	0.0778	0.0496	0.0831
Mukaadial(-3.75)/ Rugosal(-3.75)/ Zinniol(-3.75)/ Xanthoxic acid(-3.75)/	0.0013	0.0008	0.0002	0.0000			0.0001	0.0001	0.0002
myo-Inositol 1-phosphate/myo-Inositol 3-phosphate	0.0023	0.0032	0.0013	0.0003	0.0017	0.0054	0.0045	0.0028	0.0054
N2-(D-1-Carboxyethyl)-L-lysine(6.28)/	0.0007	0.0004	0.0003	0.0004		0.0007	0.0007	0.0007	0.0005
N2-(D-1-Carboxyethyl)-L-lysine(7.19)/	0.0013	0.0008	0.0005	0.0008	0.0016	0.0012	0.0009	0.0012	0.0006
N-(6-Aminohexanoyl)-6-aminohexanoate(5.48)/ Leucyl-leucine(5.48)/	0.0009	0.0007	0.0008	0.0007	0.0013	0.0010	0.0009	0.0011	0.0007
N-Acetylglucosamine 1-phosphate	0.0012	0.0009	0.0008	0.0010	0.0030	0.0007	0.0005	0.0011	0.0011
N-Acetylglucosamine 6-phosphate	0.0018	0.0013	0.0009	0.0002	0.0026	0.0011	0.0012	0.0018	0.0015
N-Acetylglutamic acid	0.0008	0.0008	0.0002		0.0005	0.0015	0.0019	0.0007	0.0035
N-Acetyl-L-citrulline(1.28)/	0.0002	0.0003		0.0001		0.0003	0.0002	0.0003	0.0002
N-Acetylneuraminic acid	0.0024	0.0020	0.0010	0.0036	0.0021	0.0029	0.0036	0.0020	0.0026
NAD+	0.0064	0.0173	0.0011	0.0027	0.0010	0.0327	0.0178	0.0076	0.0219
NADP+	0.0025	0.0032	0.0002	0.0003		0.0076	0.0058	0.0020	0.0084
Octanoic acid	0.0016	0.0005	0.0006	0.0007		0.0010	0.0010		0.0006
Orthophosphate(-1.32)/ Potassium acetate(-0.3)/	0.1717	0.1503	0.1265	0.0791		0.1826	0.2003	0.1412	0.1967
Pantothenic acid	0.0005	0.0007	0.0010	0.0004	0.0005	0.0009	0.0008	0.0012	0.0007
Pelargonic acid	0.0042	0.0023	0.0022	0.0013		0.0038	0.0046	0.0036	0.0026
Phosphocreatine	0.0015	0.0018	0.0003	0.0002		0.0030	0.0006	0.0002	0.0021
Phosphoenolpyruvic acid	0.0005		0.0004	0.0003			0.0004	0.0006	0.0000
Phthalic acid	0.0003	0.0132	0.0003		0.0016	0.0004	0.0002	0.0829	0.0002
Pyrantel(-7.13)/	0.0005	0.0003	0.0003	0.0003		0.0003	0.0005	0.0004	0.0003
Ribose 5-phosphate	0.0009	0.0014	0.0004	0.0002	0.0013	0.0015	0.0013	0.0013	0.0006
Ribulose 5-phosphate	0.0035	0.0040	0.0011	0.0004	0.0011	0.0054	0.0087	0.0030	0.0050
Sedoheptulose 7-phosphate	0.0015	0.0021	0.0007	0.0003	0.0012	0.0059	0.0013	0.0023	0.0074
S-Glutathionyl-L-cysteine(2.01)/	0.0113	0.0010	0.0054	0.0041	0.0121	0.0020	0.0026	0.0062	0.0059
Succinic acid	0.0290	0.1326	0.0308	0.0139	0.0591	0.1687	0.1112	0.0871	0.0761
Taurocholic acid	0.0013	0.0041	0.0255	0.0000	0.0002	0.0025	0.0032	0.0035	0.0054
Taurodeoxycholate(0.76)/ Taurochenodeoxycholate(0.76)/ Tauroursodeoxycholic acid(0.76)/	0.0023	0.0032	0.0843		0.0002	0.0027	0.0054	0.0034	0.0068
Terephthalic acid	0.0007	0.0004	0.0005	0.0004	0.0013	0.0002	0.0006	0.0007	0.0001
Threonic acid	0.0043	0.0013	0.0069	0.0079	0.0022	0.0031	0.0018	0.0024	0.0022
Trovafloxacin(-3.12)/ Daidzin(-0.48)/ Chrysophanol 8-O-beta-D-glucoside(-0.48)/ Frangulin A(-0.48)/ Puerarin(-0.48)/ Flavonol 7-O-beta-D-glucoside(-0.48)/ Tenitramine(7.2)/	0.0001	0.0001		0.0000		0.0002	0.0001	0.0005	0.0001
UDP	0.0006	0.0012	0.0002			0.0033	0.0008	0.0004	0.0013
UDP-glucose/UDP-galactose	0.0031	0.0037	0.0014	0.0010	0.0002	0.0086	0.0038	0.0010	0.0093
UDP-glucuronic acid	0.0009	0.0002	0.0006	0.0017		0.0010	0.0005	0.0003	0.0027
UDP-N-acetylglucosamine	0.0161	0.0121	0.0039	0.0027	0.0015	0.0257	0.0134	0.0028	0.0171
UMP	0.0062	0.0093	0.0015	0.0007	0.0040	0.0131	0.0045	0.0007	0.0083
Uric acid	0.0221	0.0253	0.0168	0.0065	0.0228	0.0374	0.0310	0.0253	0.0252
UTP	0.0002	0.0002	0.0001			0.0012	0.0003	0.0003	0.0006
Vulgaxanthin-II(-9.87)/ Psorospermin(1.88)/ S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine(3.94)/ Methylophiopogonone A(1.88)/	0.0002	0.0003				0.0006	0.0002	0.0002	0.0003
XA0008	0.0022	0.0004	0.0008	0.0007	0.0010	0.0007	0.0015	0.0009	0.0006
XA0010	0.0003	0.0007	0.0001	0.0001		0.0011	0.0006	0.0002	0.0004
XA0019	0.0136	0.0013	0.0054	0.0048	0.0031	0.0070	0.0033	0.0026	0.0045
XA0023	0.0071	0.0018	0.0049	0.0041		0.0044	0.0041	0.0075	0.0037
XA0025	0.0010	0.0005	0.0006	0.0004	0.0018	0.0005	0.0008	0.0010	0.0003
XA0028	0.0020	0.0006	0.0000	0.0000		0.0018	0.0013		0.0021
XA0029	0.0002	0.0002	0.0002	0.0001	0.0004	0.0003	0.0003	0.0002	0.0010
XA0033	0.0243	0.0127	0.0268	0.0147	0.0087	0.0208	0.0164	0.0135	0.0136
XA0039	0.0006	0.0000	0.0011	0.0003		0.0056	0.0016	0.0003	0.0025
XA0041	0.0075	0.0083	0.0020	0.0014	0.0008	0.0154	0.0074	0.0017	0.0106
XA0043	0.0009	0.0017	0.0001	0.0001		0.0034	0.0026	0.0009	0.0034
XA0045	0.0142	0.0004	0.0029	0.0054	0.0016	0.0009	0.0023	0.0010	0.0013
XA0048	0.0027	0.0031	0.0019	0.0012	0.0016	0.0044	0.0058	0.0036	0.0024
XA0060	0.0035	0.0044	0.0009	0.0004	0.0021	0.0055	0.0026	0.0004	0.0036
XA0061	0.0002	0.0003	0.0001	0.0000	0.0001	0.0010	0.0006	0.0001	0.0011
XA0065	0.0039	0.0042	0.0026	0.0008	0.0028	0.0079	0.0065	0.0014	0.0051
XA0068	0.0003	0.0002	0.0002	0.0002	0.0001	0.0005	0.0002	0.0002	0.0003
XA0069	0.0012	0.0001	0.0000			0.0015	0.0010	0.0001	0.0015
XA0072	0.0028	0.0021	0.0009	0.0007	0.0020	0.0038	0.0031	0.0009	0.0020
XA0078	0.0012	0.0012	0.0001	0.0001		0.0027	0.0022	0.0009	0.0028
Xanthine	0.0095	0.0159	0.0095	0.0029		0.0116	0.0087	0.0120	0.0129
Xanthosine	0.0002	0.0016	0.0007	0.0003	0.0005	0.0016	0.0005	0.0007	0.0008
Factors	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	Tissue Type:ICC-NT (surrounded non tumor of ICC)	Tissue Type:ICC-NT (surrounded non tumor of ICC)	Tissue Type:ICC-NT (surrounded non tumor of ICC)	Tissue Type:ICC-NT (surrounded non tumor of ICC)
145.017m/z		1.00E-03	8.60E-04	2.00E-04			6.20E-04	4.10E-04	
145.018m/z	1.50E-03	1.10E-03	2.90E-03	7.00E-04		8.30E-03	4.10E-03	1.10E-03	5.50E-03
158.483m/z	6.10E-03	5.20E-03	4.30E-03	3.30E-03	1.50E-02	4.00E-03	7.10E-03	8.30E-03	3.20E-03
187.107m/z	2.20E-03	8.80E-04	1.40E-03	5.30E-03	1.40E-03	1.40E-03	1.40E-03	3.90E-03	8.90E-04
190.017m/z	4.00E-03	5.30E-05	1.70E-03	4.20E-04		1.30E-03	1.00E-03	4.80E-04	1.40E-03
192.032m/z	1.80E-01	9.70E-02	1.00E-01	7.80E-02	3.30E-01	8.80E-02	1.30E-01	1.60E-01	5.90E-02
AL(-3.06);	1.30E-03	5.30E-04	9.40E-04	2.60E-03	1.80E-03	6.30E-04	7.20E-04	1.30E-03	3.70E-04
VL(5.87);	1.70E-03	2.10E-03	1.70E-03	9.00E-04	1.80E-03	3.50E-03	2.20E-03	4.20E-03	2.20E-03
KS(1.73);	8.30E-04	1.50E-04	3.90E-04	2.60E-04	1.40E-03	4.20E-04	5.30E-04	8.90E-04	4.10E-04
246.949m/z	1.60E-03	4.40E-03	4.40E-05	3.30E-03		1.20E-02	9.00E-05	9.00E-03	2.50E-04
250.053m/z	5.60E-03	2.60E-03	2.90E-03	2.30E-03	9.20E-03	2.70E-03	3.80E-03	4.80E-03	1.80E-03
255.629m/z	1.40E-04		1.90E-04			4.30E-05	1.40E-05		1.10E-03
258.181m/z	3.20E-04	5.00E-04	2.20E-04	3.40E-04	8.70E-04	7.10E-04	4.90E-04	5.90E-04	4.00E-04
261.028m/z	6.30E-04	4.70E-04	1.10E-04	6.40E-05	1.50E-04	9.30E-04	5.40E-04	3.80E-04	5.10E-04
FT(2.31);	5.80E-04	9.40E-04	1.10E-04	1.30E-04		9.90E-04	7.50E-04	8.60E-04	6.00E-04
267.038m/z	5.60E-04	1.10E-04	3.00E-05			6.90E-04	4.80E-04	7.30E-05	8.30E-04
273.127m/z	7.40E-04	1.00E-03	2.40E-03	3.80E-04	7.40E-04	5.70E-04	2.70E-03	4.00E-03	4.00E-04
282.064m/z	1.00E-03	1.30E-03	1.60E-04			2.90E-03	1.50E-03	1.10E-03	5.60E-03
288.618m/z	1.50E-04	7.90E-05	1.10E-03			8.40E-05	1.60E-04	4.70E-05	3.90E-04
302.962m/z	4.00E-02	1.70E-02	2.20E-02	1.70E-02	6.70E-02	1.80E-02	2.60E-02	3.50E-02	1.40E-02
318.51m/z	5.50E-04	6.20E-04	1.50E-04	5.50E-05		1.30E-03	9.10E-04	9.10E-04	6.70E-04
343.025m/z	8.60E-04	5.00E-03		5.70E-04		6.80E-03	4.70E-05	1.60E-03	
343.053m/z	1.00E-04	3.10E-04	2.80E-05		4.30E-05	5.00E-04	1.50E-04		3.30E-04
353.039m/z	2.50E-04	1.00E-04		4.00E-05		4.50E-04	3.50E-04	2.20E-04	5.70E-04
HAAG(-3.29); HAQ(-3.28);	3.20E-04	8.60E-04	2.60E-03	8.60E-04	3.40E-03	1.80E-03	1.00E-03	2.20E-03	1.20E-02
357.102m/z	2.10E-04	3.40E-04				5.40E-04	5.40E-04	2.20E-04	5.20E-04
382.1m/z	6.10E-04	9.00E-04	1.80E-04	8.00E-05	2.30E-04	1.20E-03	1.30E-03	6.10E-04	1.00E-03
426.063m/z	5.10E-04	5.30E-05	9.90E-05	2.70E-05		1.20E-04	1.70E-04	3.10E-04	2.50E-04
495.057m/z	5.00E-04	3.30E-03	2.60E-03	7.80E-04	5.10E-04	5.30E-04	2.00E-03	1.30E-03	1.50E-04
495.103m/z	4.30E-04	1.70E-04				4.80E-04	2.70E-04	1.50E-04	2.30E-04
497.066m/z	8.10E-04		8.50E-04	2.30E-04		2.30E-04	8.60E-05	2.00E-04	2.10E-04
593.035m/z	3.10E-04	1.40E-03	1.50E-03	4.60E-04	3.20E-04	2.60E-04	1.20E-03	7.60E-04	5.90E-05
746.017m/z	3.80E-04	3.00E-04	2.60E-04	3.00E-04	6.80E-04	3.60E-04	4.00E-04	5.30E-04	2.50E-04
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
1-Pyrroline-2-carboxylate(6.28)/ (S)-1-Pyrroline-5-carboxylate(6.28)/ 3;4-Dihydro-2H-Pyrrole-2-carboxylate(6.28)/ Glutarimide(6.28)/	15.15					C03564; C03912; C04322; C07275;		Osaka_City_University_ID
(1R;2S)-1-Hydroxypropane-1;2;3-tricarboxylate(4.68)/ 5-Dehydro-4-deoxy-D-glucarate(4.68)/	8.78					C00451; C00679;		Osaka_City_University_ID
2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1;3;4]oxadiazole(-5.61)/	13.50					C11570;		Osaka_City_University_ID
2;3-Diphosphoglyceric acid	18.86					C01159		Osaka_City_University_ID
2;7-Anhydro-alpha-N-acetylneuraminic acid(5.97)/ 2-Deoxy-2;3-dehydro-N-acetylneuraminic acid(5.97)/ Sarmentosin epoxide(5.97)/	7.13					C04521; C04580; C08341;		Osaka_City_University_ID
2(alpha-D-Mannosyl)-D-glycerate(4.96)/	7.33					C11544;		Osaka_City_University_ID
2-Hydroxybutyric acid	9.72					C05984		Osaka_City_University_ID
2-Hydroxyglutaric acid	17.14					C02630;C01087;C03196		Osaka_City_University_ID
2-Hydroxyvaleric acid	9.18							Osaka_City_University_ID
2-Phosphinomethylmalate(2.12)/	6.94					C17947;		Osaka_City_University_ID
2-Phosphoglyceric acid	19.60					C00631		Osaka_City_University_ID
3-Hydroxybutyric acid	9.46					C01089;C03197		Osaka_City_University_ID
3-Phenylpropionic acid	8.72					C05629		Osaka_City_University_ID
3-Phosphoglyceric acid	20.13					C00197		Osaka_City_University_ID
5-Hydroxypentanoate(5.25)/	9.08					C02804;		Osaka_City_University_ID
(5-L-Glutamyl)-L-glutamine(8.36)/ N-Succinyl-L-citrulline(8.36)/	7.42					C05283; C18048;		Osaka_City_University_ID
5-Oxoproline	9.41					C01879		Osaka_City_University_ID
6-Phosphogluconic acid	14.82					C00345		Osaka_City_University_ID
Adenylosuccinic acid	13.83					C03794		Osaka_City_University_ID
ADP	10.87					C00008		Osaka_City_University_ID
ADP-glucose/GDP-fucose	8.22					C00498;C00325		Osaka_City_University_ID
ADP-ribose	8.39					C00301		Osaka_City_University_ID
AMP	9.20					C00020		Osaka_City_University_ID
Ascorbic acid	8.38					C00072		Osaka_City_University_ID
ATP	11.73					C00002		Osaka_City_University_ID
cAMP	7.39					C00575		Osaka_City_University_ID
CDP	11.43					C00112		Osaka_City_University_ID
CDP-choline	6.67					C00307		Osaka_City_University_ID
cis-Aconitic acid	29.08					C00417		Osaka_City_University_ID
Citric acid	27.39					C00158		Osaka_City_University_ID
CMP	9.51					C00055		Osaka_City_University_ID
CoA_divalent	10.58					C00010		Osaka_City_University_ID
CTP	12.34					C00063		Osaka_City_University_ID
D-Alanyl-D-alanine(-2.93)/ N5-Methyl-L-glutamine(-2.93)/ N-gamma-Acetyldiaminobutyrate(-2.93)/ Daminozide(-2.93)/	6.57					C00993; C03153; C06442; C10996;		Osaka_City_University_ID
D-Glucosamine 6-phosphate(3.86)/ 1-Amino-1-deoxy-scyllo-inositol 4-phosphate(3.86)/ D-Galactosamine 1-phosphate(3.86)/ alpha-D-Glucosamine 1-phosphate(3.86)/ D-Galactosamine 6-phosphate(3.86)/ Kanosamine 6-phosphate(3.86)/ Aminofructose 6-phosphate(3.86)/	7.86					C00352; C01283; C03783; C06156; C06377; C12213; C12214;		Osaka_City_University_ID
Dihydroxyacetone phosphate	12.71					C00111		Osaka_City_University_ID
D-myo-Inositol 1;2-cyclic phosphate(9.5)/ 6-Deoxy-5-ketofructose 1-phosphate(9.5)/	7.69					C04299; C16848;		Osaka_City_University_ID
dTMP	9.53					C00364		Osaka_City_University_ID
D-Xylonate(4.93)/ L-Arabinonate(4.93)/ D-Arabinonate(4.93)/ D-Ribonate(4.93)/ L-Xylonate(4.93)/ L-Lyxonate(4.93)/	8.56					C00502; C00545; C00878; C01685; C05411; C05412;		Osaka_City_University_ID
D-Xylulose 5-phosphate(3.91)/ alpha-D-Ribose 1-phosphate(3.91)/	12.49					C00231; C00620;		Osaka_City_University_ID
Erythrose 4-phosphate	11.57					C00279;C03604		Osaka_City_University_ID
Ethanolamine phosphate	7.91					C00346		Osaka_City_University_ID
FAD_divalent	7.76					C00016		Osaka_City_University_ID
Fructose 1;6-diphosphate	14.70					C00354		Osaka_City_University_ID
Fructose 6-phosphate	9.89					C05345;C00085		Osaka_City_University_ID
Fructoselysine 6-phosphate(2.91)/	6.74					C16489;		Osaka_City_University_ID
Fumaric acid	26.31					C00122		Osaka_City_University_ID
Galacturonic acid	7.99					C00333		Osaka_City_University_ID
gamma-L-Glutamyl-D-alanine(4.58)/	9.01					C03738;		Osaka_City_University_ID
GDP	10.60					C00035		Osaka_City_University_ID
GDP-glucose/GDP-mannose/GDP-galactose	8.18					C00394;C00096;C02280		Osaka_City_University_ID
Glucaric acid	14.67					C00767;C00818		Osaka_City_University_ID
Gluconic acid	8.03					C00257		Osaka_City_University_ID
Glucose 1-phosphate	10.06					C00103		Osaka_City_University_ID
Glucose 6-phosphate	9.77					C00668;C01172;C00092		Osaka_City_University_ID
Glyceric acid	10.34					C00258		Osaka_City_University_ID
Glycerol 3-phosphate	12.15					C00093		Osaka_City_University_ID
Glycocholic acid	6.60					C01921		Osaka_City_University_ID
GMP	9.05					C00144		Osaka_City_University_ID
GTP	11.42					C00044		Osaka_City_University_ID
Heptanoic acid	8.51							Osaka_City_University_ID
Hexanoic acid	8.85					C01585		Osaka_City_University_ID
Homovanillic acid	8.18					C05582		Osaka_City_University_ID
IMP	9.45					C00130		Osaka_City_University_ID
Isopimpinellin(8.81)/ Glycerophosphoglycerol(-0.52)/ 2;3';4;6-Tetrahydroxybenzophenone(8.81)/ Pimpinellin(8.81)/	7.48					C02162; C03274; C06355; C09285;		Osaka_City_University_ID
Isosorbide mononitrate(1.41)/ O-Oxalylhomoserine(1.41)/ Nitrilotriacetic acid(1.41)/	14.27					C07714; C08294; C14695;		Osaka_City_University_ID
Lactic acid	10.86					C00186;C00256;C01432		Osaka_City_University_ID
Lauric acid	7.55					C02679		Osaka_City_University_ID
L-Cystine(7.2)/ Cystine(7.2)/	6.60					C00491; C01420;		Osaka_City_University_ID
Malic acid	21.91					C00149;C00497;C00711		Osaka_City_University_ID
Mukaadial(-3.75)/ Rugosal(-3.75)/ Zinniol(-3.75)/ Xanthoxic acid(-3.75)/	7.68					C09702; C09717; C10840; C13454;		Osaka_City_University_ID
myo-Inositol 1-phosphate/myo-Inositol 3-phosphate	10.23					C01177;C04006		Osaka_City_University_ID
N2-(D-1-Carboxyethyl)-L-lysine(6.28)/	7.15					C04020;		Osaka_City_University_ID
N2-(D-1-Carboxyethyl)-L-lysine(7.19)/	6.71					C04020;		Osaka_City_University_ID
N-(6-Aminohexanoyl)-6-aminohexanoate(5.48)/ Leucyl-leucine(5.48)/	6.51					C01255; C11332;		Osaka_City_University_ID
N-Acetylglucosamine 1-phosphate	9.47					C04256		Osaka_City_University_ID
N-Acetylglucosamine 6-phosphate	9.07					C00357		Osaka_City_University_ID
N-Acetylglutamic acid	13.29					C00624		Osaka_City_University_ID
N-Acetyl-L-citrulline(1.28)/	6.45					C15532;		Osaka_City_University_ID
N-Acetylneuraminic acid	7.08					C00270		Osaka_City_University_ID
NAD+	6.44					C00003		Osaka_City_University_ID
NADP+	9.29					C00006		Osaka_City_University_ID
Octanoic acid	8.26					C06423		Osaka_City_University_ID
Orthophosphate(-1.32)/ Potassium acetate(-0.3)/	16.97					C00009; C12554;		Osaka_City_University_ID
Pantothenic acid	7.55					C00864		Osaka_City_University_ID
Pelargonic acid	8.03					C01601		Osaka_City_University_ID
Phosphocreatine	12.29					C02305		Osaka_City_University_ID
Phosphoenolpyruvic acid	21.63					C00074		Osaka_City_University_ID
Phthalic acid	15.54					C01606		Osaka_City_University_ID
Pyrantel(-7.13)/	7.39					C07409;		Osaka_City_University_ID
Ribose 5-phosphate	10.55					C00117		Osaka_City_University_ID
Ribulose 5-phosphate	10.97					C00199;C01101		Osaka_City_University_ID
Sedoheptulose 7-phosphate	9.54					C05382		Osaka_City_University_ID
S-Glutathionyl-L-cysteine(2.01)/	7.46					C05526;		Osaka_City_University_ID
Succinic acid	21.38					C00042		Osaka_City_University_ID
Taurocholic acid	6.61					C05122		Osaka_City_University_ID
Taurodeoxycholate(0.76)/ Taurochenodeoxycholate(0.76)/ Tauroursodeoxycholic acid(0.76)/	6.64					C05463; C05465; C16868;		Osaka_City_University_ID
Terephthalic acid	16.89					C06337		Osaka_City_University_ID
Threonic acid	9.17					C01620		Osaka_City_University_ID
Trovafloxacin(-3.12)/ Daidzin(-0.48)/ Chrysophanol 8-O-beta-D-glucoside(-0.48)/ Frangulin A(-0.48)/ Puerarin(-0.48)/ Flavonol 7-O-beta-D-glucoside(-0.48)/ Tenitramine(7.2)/	6.62					C07664; C10216; C10316; C10346; C10524; C15580; C17719;		Osaka_City_University_ID
UDP	11.63					C00015		Osaka_City_University_ID
UDP-glucose/UDP-galactose	8.52					C00029;C00052		Osaka_City_University_ID
UDP-glucuronic acid	11.01					C00167		Osaka_City_University_ID
UDP-N-acetylglucosamine	8.34					C00043		Osaka_City_University_ID
UMP	9.71					C00105		Osaka_City_University_ID
Uric acid	8.82					C00366		Osaka_City_University_ID
UTP	12.57					C00075		Osaka_City_University_ID
Vulgaxanthin-II(-9.87)/ Psorospermin(1.88)/ S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine(3.94)/ Methylophiopogonone A(1.88)/	7.02					C08569; C10090; C14877; C17473;		Osaka_City_University_ID
XA0008	9.40							Osaka_City_University_ID
XA0010	7.76							Osaka_City_University_ID
XA0019	8.21							Osaka_City_University_ID
XA0023	15.45							Osaka_City_University_ID
XA0025	9.13							Osaka_City_University_ID
XA0028	13.86							Osaka_City_University_ID
XA0029	12.67							Osaka_City_University_ID
XA0033	7.51							Osaka_City_University_ID
XA0039	7.40							Osaka_City_University_ID
XA0041	8.34							Osaka_City_University_ID
XA0043	9.30							Osaka_City_University_ID
XA0045	23.95							Osaka_City_University_ID
XA0048	7.01							Osaka_City_University_ID
XA0060	9.71							Osaka_City_University_ID
XA0061	12.37							Osaka_City_University_ID
XA0065	6.82							Osaka_City_University_ID
XA0068	8.77							Osaka_City_University_ID
XA0069	10.40							Osaka_City_University_ID
XA0072	6.67							Osaka_City_University_ID
XA0078	9.29							Osaka_City_University_ID
Xanthine	8.20					C00385		Osaka_City_University_ID
Xanthosine	7.51					C01762		Osaka_City_University_ID
Factors							
Isopimpinellin(8.81)/ Glycerophosphoglycerol(-0.52)/ 2;3^;4;6-Tetrahydroxybenzophenone(8.81)/ Pimpinellin(8.81)/							
145.017m/z	145.017						
145.018m/z	145.018						
158.483m/z	158.483						
187.107m/z	187.107						
190.017m/z	190.017						
192.032m/z	192.032						
AL(-3.06);	201.124						
VL(5.87);	229.154						
KS(1.73);	232.13						
246.949m/z	246.949						
250.053m/z	250.053						
255.629m/z	255.629						
258.181m/z	258.181						
261.028m/z	261.028						
FT(2.31);	265.118						
267.038m/z	267.038						
273.127m/z	273.127						
282.064m/z	282.064						
288.618m/z	288.618						
302.962m/z	302.962						
318.51m/z	318.51						
343.025m/z	343.025						
343.053m/z	343.053						
353.039m/z	353.039						
HAAG(-3.29); HAQ(-3.28);	353.159						
357.102m/z	357.102						
382.1m/z	382.1						
426.063m/z	426.063						
495.057m/z	495.057						
495.103m/z	495.103						
497.066m/z	497.066						
593.035m/z	593.035						
746.017m/z	746.017						
METABOLITES_END
#END