#METABOLOMICS WORKBENCH Tennouji_20150714_9305441_mwtab.txt DATATRACK_ID:342 STUDY_ID:ST000230 ANALYSIS_ID:AN000343 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
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                    	4
ST:TOTAL_SUBJECTS                	24 samples
#SUBJECT
SU:SUBJECT_TYPE                  	human tissue
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	10	Tissue Type:HCC (Hepatocellular carcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	13	Tissue Type:HCC (Hepatocellular carcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	15	Tissue Type:HCC (Hepatocellular carcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	17	Tissue Type:HCC (Hepatocellular carcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	19	Tissue Type:HCC (Hepatocellular carcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	23	Tissue Type:HCC (Hepatocellular carcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	12	Tissue Type:HCC-NT (surrounded non tumor of HCC)	
SUBJECT_SAMPLE_FACTORS           	-	14	Tissue Type:HCC-NT (surrounded non tumor of HCC)	
SUBJECT_SAMPLE_FACTORS           	-	16	Tissue Type:HCC-NT (surrounded non tumor of HCC)	
SUBJECT_SAMPLE_FACTORS           	-	18	Tissue Type:HCC-NT (surrounded non tumor of HCC)	
SUBJECT_SAMPLE_FACTORS           	-	20	Tissue Type:HCC-NT (surrounded non tumor of HCC)	
SUBJECT_SAMPLE_FACTORS           	-	24	Tissue Type:HCC-NT (surrounded non tumor of HCC)	
SUBJECT_SAMPLE_FACTORS           	-	1	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	21	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	3	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	5	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	7	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	9	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)	
SUBJECT_SAMPLE_FACTORS           	-	11	Tissue Type:ICC-NT (surrounded non tumor of ICC)	
SUBJECT_SAMPLE_FACTORS           	-	2	Tissue Type:ICC-NT (surrounded non tumor of ICC)	
SUBJECT_SAMPLE_FACTORS           	-	22	Tissue Type:ICC-NT (surrounded non tumor of ICC)	
SUBJECT_SAMPLE_FACTORS           	-	4	Tissue Type:ICC-NT (surrounded non tumor of ICC)	
SUBJECT_SAMPLE_FACTORS           	-	6	Tissue Type:ICC-NT (surrounded non tumor of ICC)	
SUBJECT_SAMPLE_FACTORS           	-	8	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	10	13	15	17	19	23	12	14	16	18	20	24	1	21	3	5	7	9	11	2	22	4	6	8
Factors	Tissue Type:HCC (Hepatocellular carcinoma)	Tissue Type:HCC (Hepatocellular carcinoma)	Tissue Type:HCC (Hepatocellular carcinoma)	Tissue Type:HCC (Hepatocellular carcinoma)	Tissue Type:HCC (Hepatocellular carcinoma)	Tissue Type:HCC (Hepatocellular carcinoma)	Tissue Type:HCC-NT (surrounded non tumor of HCC)	Tissue Type:HCC-NT (surrounded non tumor of HCC)	Tissue Type:HCC-NT (surrounded non tumor of HCC)	Tissue Type:HCC-NT (surrounded non tumor of HCC)	Tissue Type:HCC-NT (surrounded non tumor of HCC)	Tissue Type:HCC-NT (surrounded non tumor of HCC)	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 (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)	Tissue Type:ICC-NT (surrounded non tumor of ICC)	Tissue Type:ICC-NT (surrounded non tumor of ICC)
1-Pyrroline-2-carboxylate/ (S)-1-Pyrroline-5-carboxylate/ 3_4-Dihydro-2H-Pyrrole-2-carboxylate/ Glutarimide	0.0027	0.0001	0.0013	0.0040	0.0028	0.0022	0.0021	0.0023	0.0017	0.0036	0.0019	0.0009	0.0017	0.0007	0.0011	0.0005	0.0017		0.0000	0.0004	0.0028	0.0014	0.0002	0.0012
(1R_2S)-1-Hydroxypropane-1_2_3-tricarboxylate(0.78); 5-Dehydro-4-deoxy-D-glucarate(0.78); 2_5-Didehydro-D-gluconate(0.78);	0.0018	0.0019	0.0018	0.0018	0.0012	0.0007	0.0020	0.0027	0.0018	0.0022	0.0026	0.0014	0.0019	0.0007	0.0037		0.0015	0.0009	0.0003	0.0007	0.0027	0.0016		0.0016
2_3-Diphosphoglyceric acid	0.0045	0.0002	0.0039	0.0020	0.0029	0.0004	0.0012	0.0010	0.0012	0.0029	0.0014	0.0018	0.0005		0.0043	0.0001	0.0018		0.0003	0.0002	0.0018	0.0012		0.0020
2_7-Anhydro-alpha-N-acetylneuraminic acid/ 2-Deoxy-2_3-dehydro-N-acetylneuraminic acid/ Sarmentosin epoxide	0.0002	0.0002	0.0002	0.0004	0.0005	0.0007	0.0005	0.0010	0.0008	0.0011	0.0012	0.0004	0.0003	0.0003	0.0003	0.0004	0.0005	0.0002	0.0008	0.0004	0.0007	0.0009	0.0007	0.0008
2-Hydroxybutyric acid	0.0043	0.0041	0.0017	0.0047	0.0073	0.0040	0.0052	0.0071	0.0017	0.0084	0.0066	0.0031	0.0038	0.0046	0.0024	0.0012	0.0049	0.0033	0.0043	0.0028	0.0032	0.0053	0.0032	0.0061
2-Hydroxyglutaric acid	0.0041	0.0015	0.0023	0.0028	0.0019	0.0008	0.0014	0.0009	0.0023	0.0010	0.0003	0.0008	0.0009		0.0003	0.0016	0.0008	0.0007	0.0005	0.0007	0.0004	0.0006	0.0019	0.0008
2-Hydroxyvaleric acid	0.0009	0.0010	0.0002	0.0007	0.0010	0.0008	0.0005	0.0006		0.0006	0.0008	0.0005	0.0018			0.0010	0.0006	0.0005	0.0004	0.0009	0.0003	0.0003	0.0008	0.0004
2-Phosphinomethylmalate	0.0001	0.0001		0.0007	0.0007	0.0002	0.0001	0.0003	0.0005	0.0004	0.0005				0.0004	0.0001	0.0002	0.0003	0.0006		0.0002	0.0003	0.0002	0.0004
2-Phosphoglyceric acid		0.0002					0.0003		0.0002			0.0009	0.0002	0.0012			0.0004			0.0005	0.0003			
3-Hydroxybutyric acid	0.0196	0.0073	0.0490	0.0037	0.0058	0.0082	0.0212	0.0086	0.0328	0.0078	0.0052	0.0060	0.0041	0.0063	0.0017	0.0029	0.0081	0.0048	0.0133	0.0047	0.0036	0.0036	0.0114	0.0072
3-Phenylpropionic acid	0.0004	0.0005	0.0013	0.0025	0.0013	0.0014	0.0017	0.0017	0.0011	0.0009	0.0013	0.0008	0.0011	0.0046	0.0008	0.0020	0.0010	0.0022	0.0006	0.0016	0.0006	0.0013	0.0039	0.0011
3-Phosphoglyceric acid		0.0010					0.0021	0.0000	0.0012			0.0052	0.0009	0.0043	0.0004	0.0007	0.0019	0.0003	0.0002	0.0023	0.0027		0.0010	0.0002
3-Sulfino-L-alanine	0.0003	0.0007	0.0021	0.0003	0.0001	0.0004	0.0001	0.0003	0.0002	0.0003	0.0004	0.0001	0.0006	0.0002	0.0008	0.0002	0.0004	0.0016	0.0004		0.0001	0.0001		0.0002
5-Hydroxypentanoate		0.0001			0.0001			0.0001			0.0001				0.0020	0.0005	0.0002					0.0007	0.0003	
(5-L-Glutamyl)-L-glutamine/ N-Succinyl-L-citrulline	0.0003	0.0002	0.0008	0.0008	0.0005	0.0002	0.0027	0.0020	0.0019	0.0018	0.0018	0.0025	0.0021	0.0012	0.0001	0.0008	0.0013	0.0004	0.0002	0.0015	0.0017	0.0010	0.0016	0.0018
5-Oxoproline	0.0060	0.0017	0.0240	0.0155	0.0067	0.0074	0.0140	0.0072	0.0063	0.0081	0.0161	0.0045	0.0057	0.0077	0.0125	0.0021	0.0077	0.0010	0.0010	0.0067	0.0088	0.0074	0.0054	0.0088
6-endo-Hydroxycineole(1.76); (E)-3_7-Dimethylocta-1_6-diene-3_8-diol(1.76); Limonene-1_2-diol(1.76); (+)-Neomatatabiol(1.76);						0.0001	0.0002	0.0005		0.0021							0.0001							
6-Phosphogluconic acid	0.0009	0.0003	0.0002	0.0001	0.0002	0.0014	0.0010	0.0024	0.0005	0.0012	0.0003	0.0035	0.0004	0.0013		0.0002	0.0006	0.0005	0.0005	0.0014	0.0007	0.0005	0.0012	0.0012
9-Oxononanoic acid							0.0004	0.0005		0.0021														
Acetyl CoA_divalent		0.0000		0.0000	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000
Adenylosuccinic acid	0.0008	0.0001	0.0020	0.0008	0.0011	0.0003	0.0011	0.0031	0.0009	0.0024	0.0005	0.0001	0.0009	0.0000	0.0001	0.0001	0.0005	0.0002	0.0004	0.0006	0.0003	0.0002	0.0006	0.0005
Adipic acid				0.0006				0.0002	0.0009	0.0003				0.0031		0.0007			0.0003	0.0004	0.0003			0.0003
ADP	0.0169	0.0015	0.0077	0.0105	0.0052	0.0066	0.0132	0.0207	0.0058	0.0238	0.0037	0.0056	0.0060	0.0026	0.0024	0.0029	0.0043	0.0074	0.0079	0.0050	0.0024	0.0044	0.0046	0.0093
ADP-glucose/GDP-fucose	0.0005	0.0002	0.0009	0.0005	0.0011	0.0004	0.0007	0.0006	0.0004	0.0006	0.0003	0.0005	0.0004	0.0005	0.0004	0.0003	0.0005	0.0006	0.0008	0.0004	0.0003	0.0003	0.0009	0.0004
Alatolide/ Arctiopicrin	0.0001	0.0000		0.0002	0.0000	0.0000	0.0004	0.0003	0.0002	0.0003	0.0001	0.0001	0.0002		0.0001		0.0001			0.0000	0.0001	0.0003	0.0000	0.0002
AMP	0.0249	0.0014	0.0305	0.0486	0.0059	0.0159	0.0211	0.0778	0.0140	0.0535	0.0051	0.0034	0.0336	0.0015	0.0023	0.0044	0.0082	0.0358	0.0487	0.0233	0.0011	0.0050	0.0429	0.0142
Ascorbate 2-sulfate	0.0019	0.0003	0.0006	0.0008	0.0004	0.0011	0.0007	0.0019	0.0012	0.0019	0.0021	0.0004	0.0003	0.0013			0.0005	0.0022	0.0010	0.0004	0.0011	0.0024		0.0013
Ascorbic acid	0.0162				0.0330	0.0025	0.0037	0.0447		0.0196	0.0184		0.0095	0.0132	0.2695		0.0160	0.0159	0.0023	0.0015	0.0033	0.0267		0.0110
ATP	0.0086	0.0017	0.0024	0.0018	0.0051	0.0022	0.0060	0.0049	0.0021	0.0068	0.0028	0.0105	0.0017	0.0011	0.0028	0.0011	0.0027	0.0026	0.0018	0.0014	0.0052	0.0029	0.0010	0.0051
cAMP	0.0001	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001
CDP-choline	0.0010	0.0005	0.0021	0.0017	0.0043	0.0015	0.0011	0.0022	0.0012	0.0020	0.0022	0.0001	0.0014	0.0008	0.0012	0.0009	0.0017	0.0013	0.0017	0.0007	0.0004	0.0011	0.0011	0.0009
cis-Aconitic acid		0.0011																						
Citric acid	0.0147	0.0334	0.0082	0.0032	0.0014	0.0019	0.0036	0.0033	0.0029	0.0037	0.0011	0.0191	0.0088	0.0151	0.0110	0.0160	0.0034	0.0067	0.0009	0.0012	0.0042	0.0014	0.0012	0.0013
CMP	0.0008	0.0002	0.0010	0.0013	0.0010	0.0004	0.0006	0.0006	0.0005	0.0007	0.0005	0.0002	0.0005	0.0001	0.0003	0.0001	0.0002	0.0002	0.0003	0.0005	0.0002	0.0003	0.0005	0.0003
CoA_divalent					0.0019	0.0014	0.0004	0.0015	0.0004	0.0005	0.0008		0.0002				0.0001	0.0003	0.0005	0.0007		0.0004	0.0001	0.0003
D-Alanyl-D-alanine/ N5-Methyl-L-glutamine/ N-gamma-Acetyldiaminobutyrate/ Daminozide	0.0003	0.0004	0.0010		0.0013	0.0011	0.0009	0.0006	0.0011	0.0006	0.0004		0.0007	0.0009	0.0007	0.0006	0.0013		0.0004	0.0007	0.0009	0.0009	0.0013	0.0008
Decanoic acid	0.0011	0.0007	0.0008	0.0007	0.0003	0.0003	0.0016	0.0005	0.0009	0.0007	0.0005	0.0010	0.0010		0.0013	0.0010	0.0010		0.0003	0.0009	0.0007	0.0004	0.0014	0.0005
D-Glucosamine 6-phosphate(-1.15); 1-Amino-1-deoxy-scyllo-inositol 4-phosphate(-1.15); D-Galactosamine 1-phosphate(-1.15);	0.0019	0.0020	0.0093	0.0007	0.0019	0.0035	0.0018	0.0018	0.0009	0.0022	0.0029	0.0005	0.0005	0.0006	0.0002	0.0005	0.0017	0.0006	0.0010	0.0007	0.0009	0.0033	0.0011	0.0023
Dihydroxyacetone phosphate	0.0006	0.0010	0.0006	0.0005	0.0004	0.0010	0.0033	0.0021	0.0006	0.0019	0.0003	0.0012	0.0007	0.0046		0.0006	0.0015	0.0017	0.0004	0.0023	0.0006	0.0004	0.0022	0.0013
D-myo-Inositol 1_2-cyclic phosphate/ 6-Deoxy-5-ketofructose 1-phosphate	0.0001	0.0004	0.0002	0.0005	0.0004	0.0010	0.0027	0.0009	0.0024	0.0009	0.0004	0.0001	0.0004	0.0010	0.0002	0.0003	0.0009	0.0002	0.0005	0.0009	0.0029	0.0012	0.0005	0.0012
D-Xylonate/ L-Arabinonate/ D-Arabinonate/ D-Ribonate/ L-Xylonate/ L-Lyxonate/ 7-Methylxanthine(8)/ 3-Methylxanthine(8)/ 1-Methylxanthine(8)	0.0015	0.0003	0.0021	0.0014	0.0022	0.0009	0.0019	0.0032	0.0018	0.0020	0.0021	0.0017	0.0011	0.0006	0.0012	0.0002	0.0010	0.0004	0.0004	0.0004	0.0020	0.0021	0.0006	0.0018
D-Xylulose 5-phosphate/alpha-D-Ribose 1-phosphate/D-Arabinose 5-phosphate				0.0003	0.0010	0.0010	0.0014	0.0013	0.0017	0.0017	0.0015	0.0004	0.0004				0.0006		0.0015	0.0009	0.0011	0.0010	0.0015	0.0017
Ethanolamine phosphate	0.0438	0.0171	0.0468	0.0181	0.0239	0.0329	0.0212	0.0228	0.0288	0.0196	0.0268	0.0275	0.0357	0.0493	0.0898	0.0268	0.0512	0.0607	0.0252	0.0124	0.0305	0.0157	0.0335	0.0206
Evoxanthidine		0.0000	0.0000	0.0001	0.0001	0.0001	0.0002	0.0005	0.0004	0.0009	0.0002	0.0000	0.0000		0.0000	0.0000	0.0001	0.0001	0.0000	0.0002	0.0001	0.0001	0.0002	0.0001
FAD_divalent	0.0003	0.0001	0.0004	0.0008	0.0006	0.0008	0.0008	0.0012	0.0014	0.0012	0.0011	0.0002	0.0002	0.0002	0.0002	0.0001	0.0006	0.0004	0.0008	0.0005	0.0007	0.0009	0.0010	0.0010
Fructose 1_6-diphosphate		0.0012	0.0004					0.0005				0.0028		0.0069		0.0011	0.0005	0.0051						
Fructose 6-phosphate	0.0004	0.0003	0.0001	0.0001	0.0002	0.0011	0.0016	0.0037	0.0002	0.0019	0.0006	0.0010	0.0004	0.0057	0.0001	0.0003	0.0008	0.0018	0.0014	0.0009	0.0007	0.0007	0.0008	0.0008
Fructoselysine 6-phosphate(-7)	0.0001	0.0001	0.0006	0.0005	0.0005	0.0002	0.0003	0.0003	0.0004	0.0005	0.0005	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0003	0.0001	0.0002	0.0003	0.0003	0.0003
Fumaric acid	0.0025	0.0017	0.0021	0.0017	0.0096	0.0045	0.0110	0.0128	0.0071	0.0142	0.0064	0.0050	0.0038	0.0056	0.0024	0.0016	0.0093	0.0023	0.0039	0.0071	0.0108	0.0089	0.0099	0.0116
gamma-L-Glutamyl-D-alanine	0.0002	0.0001	0.0004	0.0001	0.0003	0.0004	0.0004	0.0003	0.0004	0.0003	0.0004	0.0001	0.0003	0.0007	0.0005	0.0003	0.0006	0.0001	0.0003	0.0003	0.0005	0.0004	0.0005	0.0004
GDP	0.0001	0.0001	0.0008	0.0007	0.0007	0.0001	0.0005	0.0014	0.0005	0.0013	0.0009	0.0007	0.0009	0.0008	0.0009	0.0008	0.0004	0.0010	0.0006	0.0004	0.0003	0.0005	0.0005	0.0006
GDP-glucose/GDP-mannose/GDP-galactose	0.0009	0.0002	0.0001	0.0006	0.0005	0.0009	0.0010	0.0016	0.0005	0.0014	0.0007	0.0003	0.0007	0.0001	0.0001	0.0005	0.0010	0.0003	0.0008	0.0013	0.0002	0.0006	0.0015	0.0016
Glucaric acid	0.0007	0.0001	0.0003	0.0017	0.0004	0.0025	0.0003	0.0007	0.0005	0.0005	0.0006	0.0002	0.0002	0.0002		0.0001	0.0004	0.0015	0.0003	0.0003	0.0004	0.0004	0.0008	0.0008
Gluconic acid	0.0040	0.0007	0.0062	0.0044	0.0052	0.0169	0.0075	0.0069	0.0030	0.0034	0.0064	0.0034	0.0017	0.0015	0.0011	0.0010	0.0058	0.0098	0.0081	0.0031	0.0014	0.0166	0.0080	0.0106
Glucose 1-phosphate	0.0005	0.0005	0.0002	0.0008	0.0004	0.0016	0.0013	0.0018	0.0002	0.0010	0.0004	0.0012	0.0004	0.0025	0.0002	0.0003	0.0016	0.0011	0.0019	0.0006	0.0003	0.0005	0.0011	0.0006
Glucose 6-phosphate	0.0027	0.0011	0.0006	0.0005	0.0015	0.0051	0.0060	0.0176	0.0010	0.0073	0.0025	0.0066	0.0011	0.0210	0.0005	0.0005	0.0046	0.0047	0.0065	0.0038	0.0026	0.0030	0.0027	0.0041
Glucuronic acid	0.0004	0.0001	0.0005	0.0006	0.0003	0.0004	0.0011	0.0003	0.0006	0.0003	0.0003	0.0008	0.0003				0.0003	0.0005	0.0008	0.0005	0.0002	0.0003	0.0008	0.0004
Glyceric acid	0.0006	0.0006	0.0004	0.0014	0.0021	0.0015	0.0032	0.0011	0.0011	0.0011	0.0004	0.0017	0.0007	0.0030	0.0007	0.0005	0.0014	0.0007	0.0009	0.0015	0.0010	0.0009	0.0012	0.0008
Glycerol 3-phosphate	0.0107	0.0158	0.0036	0.0530	0.0806	0.0532	0.1102	0.0762	0.0496	0.0964	0.1385	0.0562	0.0230	0.0023	0.0203	0.0039	0.0232	0.0264	0.0807	0.0611	0.0755	0.0920	0.0693	0.1047
Glycocholic acid	0.0002	0.0007	0.0000	0.0018	0.0026	0.0113	0.0043	0.0017	0.0019	0.0063	0.0016	0.0024	0.0027	0.0042	0.0000	0.0000	0.0013	0.0003	0.0023	0.0067	0.0034	0.0016	0.0006	0.0019
Glycyl-leucine/ N6-Acetyl-L-lysine/ 6-Acetamido-3-aminohexanoate/ N2-Acetyl-L-lysine	0.0011	0.0038	0.0012	0.0012	0.0017	0.0025	0.0021	0.0008	0.0013	0.0013	0.0007		0.0017	0.0026	0.0017	0.0014	0.0035	0.0006	0.0008	0.0010	0.0019	0.0009	0.0012	0.0021
GMP	0.0082	0.0010	0.0104	0.0099	0.0027	0.0029	0.0052	0.0078	0.0043	0.0079	0.0003	0.0007	0.0059	0.0004	0.0028	0.0013	0.0037	0.0036	0.0027	0.0044	0.0005	0.0007	0.0055	0.0017
GTP		0.0001	0.0002	0.0001	0.0006	0.0000	0.0003	0.0003	0.0002	0.0005	0.0006	0.0010	0.0002	0.0002	0.0009	0.0002	0.0002	0.0002	0.0002	0.0001	0.0006	0.0004	0.0002	0.0004
Heptanoic acid	0.0004	0.0002	0.0004	0.0006	0.0003	0.0003	0.0009	0.0004	0.0006	0.0007			0.0004		0.0005	0.0006	0.0004	0.0005		0.0007	0.0003	0.0003	0.0011	0.0004
Hexanoic acid		0.0003	0.0005	0.0012	0.0009	0.0007	0.0009	0.0016	0.0016	0.0025	0.0005		0.0005		0.0007	0.0009	0.0005	0.0006		0.0009	0.0004	0.0004	0.0010	0.0005
Hippuric acid	0.0001	0.0001	0.0009	0.0000	0.0002	0.0001	0.0001	0.0001	0.0006	0.0001	0.0002	0.0000	0.0001		0.0001		0.0003	0.0001	0.0002	0.0002	0.0000	0.0001	0.0002	0.0009
Homovanillic acid	0.0019	0.0004	0.0003	0.0009	0.0031	0.0008	0.0010	0.0006	0.0004	0.0009	0.0005	0.0004	0.0003	0.0005	0.0002	0.0003	0.0005	0.0002	0.0003	0.0006	0.0003	0.0009	0.0006	0.0009
Hyoscyamine methylbromide	0.0001	0.0001	0.0004	0.0001	0.0010	0.0002	0.0011	0.0015	0.0006	0.0012	0.0011	0.0002	0.0004	0.0002	0.0004	0.0000	0.0007	0.0002	0.0004	0.0005	0.0008	0.0020	0.0014	0.0014
IMP	0.0015	0.0002	0.0009	0.0007	0.0011	0.0005	0.0036	0.0040	0.0021	0.0031	0.0013	0.0003	0.0022	0.0002	0.0003	0.0002	0.0007	0.0011	0.0026	0.0018	0.0002	0.0008	0.0042	0.0009
Inosine/ 2(alpha-D-Mannosyl)-D-glycerate	0.0001	0.0002	0.0003	0.0001	0.0006	0.0002	0.0006	0.0010	0.0004	0.0011	0.0011	0.0003	0.0003	0.0004	0.0006	0.0002	0.0007	0.0003	0.0005	0.0002	0.0005	0.0012	0.0005	0.0005
Isethionic acid	0.0002	0.0001	0.0004	0.0004		0.0003		0.0002	0.0003	0.0001	0.0001	0.0001	0.0002		0.0004		0.0003	0.0004	0.0001		0.0002			0.0003
Isopimpinellin/ Glycerophosphoglycerol/ 2_3^_4_6-Tetrahydroxybenzophenone/ Pimpinellin	0.0148	0.0011	0.0073	0.0028	0.0028	0.0076	0.0015	0.0017	0.0012	0.0022	0.0042	0.0006	0.0009	0.0016	0.0026	0.0007	0.0029	0.0017	0.0017	0.0008	0.0016	0.0032	0.0016	0.0022
Isosorbide mononitrate/ O-Oxalylhomoserine/ Nitrilotriacetic acid	0.0001	0.0001	0.0007	0.0010	0.0002	0.0009	0.0005	0.0006	0.0008	0.0006	0.0007	0.0002	0.0002	0.0002	0.0001	0.0001	0.0004	0.0002	0.0004	0.0002	0.0003	0.0006	0.0003	0.0005
Lactic acid	1.1325	0.8203	0.8940	0.3767	1.3589	1.2722	0.6621	0.7002	0.3068	0.8068	0.5327	0.2830	0.7809	0.7289	0.8799	0.5693	1.5640	0.9411	0.4707	0.3574	0.3889	0.9306	0.6570	0.9032
Lauric acid	0.0025	0.0027	0.0031	0.0038	0.0007	0.0005	0.0042	0.0020	0.0048	0.0024	0.0016	0.0050	0.0047		0.0032	0.0060	0.0027	0.0004		0.0021	0.0043	0.0017	0.0008	0.0020
Malic acid	0.0217	0.0170	0.0277	0.0157	0.0723	0.0363	0.0967	0.0856	0.0597	0.0965	0.0408	0.0596	0.0344	0.0598	0.0229	0.0152	0.0778	0.0561	0.0385	0.0667	0.0892	0.0651	0.1005	0.0944
myo-Inositol 1-phosphate/myo-Inositol 3-phosphate	0.0086	0.0018	0.0040	0.0023	0.0039	0.0050	0.0099	0.0069	0.0116	0.0166	0.0096	0.0004	0.0017	0.0039	0.0008	0.0011	0.0043	0.0010	0.0026	0.0036	0.0134	0.0127	0.0022	0.0128
N2-(D-1-Carboxyethyl)-L-lysine	0.0004	0.0003	0.0009	0.0002	0.0007	0.0006	0.0008	0.0002	0.0010	0.0003	0.0002		0.0005	0.0014	0.0006	0.0005	0.0014	0.0002	0.0006	0.0008	0.0008	0.0004	0.0015	0.0007
N-(6-Aminohexanoyl)-6-aminohexanoate/ Leucyl-leucine	0.0004	0.0004	0.0005	0.0002	0.0006	0.0004	0.0009	0.0002	0.0011	0.0002	0.0002	0.0003	0.0007	0.0016	0.0007	0.0007	0.0012	0.0008	0.0007	0.0011	0.0008	0.0004	0.0027	0.0007
N-Acetylaspartic acid	0.0013	0.0008	0.0027	0.0003	0.0002	0.0014	0.0006	0.0007	0.0006	0.0005	0.0005	0.0008	0.0014	0.0047	0.0060	0.0006	0.0019	0.0019	0.0005	0.0003	0.0010	0.0004	0.0010	0.0006
N-Acetylglucosamine 1-phosphate	0.0018	0.0010	0.0016	0.0009	0.0020	0.0018	0.0013	0.0006	0.0010	0.0010	0.0008	0.0022	0.0008	0.0013	0.0013	0.0007	0.0024	0.0022	0.0011	0.0006	0.0013	0.0010	0.0014	0.0015
N-Acetylglucosamine 6-phosphate	0.0013	0.0005	0.0015	0.0015	0.0029	0.0024	0.0019	0.0009	0.0014	0.0017	0.0015	0.0017	0.0014	0.0014	0.0019	0.0004	0.0039	0.0008	0.0006	0.0009	0.0023	0.0016	0.0007	0.0022
N-Acetylglutamic acid	0.0002	0.0000	0.0024	0.0037	0.0054	0.0046	0.0011	0.0015	0.0008	0.0021	0.0009	0.0001	0.0007	0.0003	0.0001	0.0002	0.0002	0.0003	0.0010	0.0016	0.0015	0.0005	0.0008	0.0020
N-Acetyl-L-citrulline	0.0001	0.0001	0.0004	0.0001	0.0004	0.0004	0.0003	0.0003	0.0005	0.0003	0.0003	0.0000	0.0002	0.0002	0.0004	0.0001	0.0005	0.0000	0.0001	0.0002	0.0004	0.0004	0.0006	0.0004
N-Acetylneuraminic acid	0.0008	0.0025	0.0034	0.0008	0.0079	0.0014	0.0028	0.0035	0.0030	0.0041	0.0040	0.0013	0.0017	0.0021	0.0033	0.0021	0.0046	0.0024	0.0029	0.0024	0.0026	0.0032	0.0045	0.0038
NAD+	0.0035	0.0016	0.0024	0.0123	0.0210	0.0127	0.0109	0.0225	0.0146	0.0181	0.0162	0.0006	0.0040	0.0003	0.0041	0.0028	0.0022	0.0036	0.0122	0.0097	0.0062	0.0141	0.0163	0.0129
NADP+	0.0010	0.0001	0.0003	0.0074	0.0021	0.0036	0.0024	0.0034	0.0057	0.0025	0.0023	0.0002	0.0013		0.0004	0.0002	0.0007	0.0005	0.0022	0.0033	0.0023	0.0015	0.0039	0.0020
Octanoic acid	0.0009	0.0007	0.0009	0.0010	0.0005	0.0005	0.0024	0.0008	0.0013	0.0015	0.0005	0.0012	0.0011	0.0020	0.0018	0.0016	0.0011	0.0010	0.0004	0.0016	0.0007	0.0006	0.0021	0.0009
Orthophosphate/ Potassium acetate	0.1727	0.1127	0.3681	0.2627	0.0577	0.2476	0.2054	0.2939	0.2747	0.3048	0.3665	0.1062	0.1744	0.1909	0.3315	0.1122	0.2604	0.2009	0.2583	0.1354	0.2093	0.2320	0.2355	0.2685
Pantothenic acid	0.0003	0.0002	0.0015	0.0009	0.0016	0.0017	0.0013	0.0008	0.0014	0.0007	0.0027	0.0005	0.0004	0.0008	0.0023	0.0002	0.0015	0.0010	0.0010	0.0005	0.0010	0.0024	0.0012	0.0015
Pelargonic acid	0.0023	0.0014	0.0027	0.0041	0.0016	0.0016	0.0066	0.0024	0.0058	0.0038	0.0018	0.0023	0.0034	0.0052	0.0027	0.0047	0.0030	0.0027	0.0014	0.0050	0.0027	0.0023	0.0076	0.0035
Phosphocreatine	0.0002	0.0011	0.0000	0.0020	0.0000	0.0000	0.0026	0.0010	0.0005	0.0011	0.0029	0.0014	0.0010	0.0002	0.0000	0.0005	0.0003	0.0008	0.0052	0.0006	0.0008	0.0003	0.0003	0.0004
Phosphoenolpyruvic acid		0.0004	0.0000	0.0000			0.0006	0.0000	0.0003	0.0000		0.0014	0.0003	0.0013	0.0002	0.0004	0.0006		0.0000	0.0007	0.0009	0.0000	0.0003	0.0001
Phthalic acid	0.0010	0.0001	0.0001	0.0113		0.0008	0.0003	0.0001	0.0234	0.0033	0.0019			0.0006		0.0003	0.0002	0.0102	0.0015	0.1034			0.0003	0.0016
Prostaglandin E2															0.0030									
Psorospermin(0)/ S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine/ Methylophiopogonone A(0)	0.0002		0.0001	0.0001	0.0001	0.0006	0.0003	0.0005	0.0002	0.0002	0.0001	0.0001	0.0002			0.0000	0.0005		0.0000	0.0002	0.0001	0.0008	0.0007	0.0012
Pterin/ 3-Hydroxy-L-glutamate/ 4-Hydroxy-L-glutamate/ L-erythro-4-Hydroxyglutamate			0.0005												0.0043									
Pyruvic acid					0.0018	0.0023	0.0019	0.0020		0.0028							0.0021							0.0014
Ribose 5-phosphate	0.0003	0.0007	0.0002	0.0003	0.0006	0.0007	0.0029	0.0025	0.0009	0.0037	0.0006	0.0012	0.0005	0.0012		0.0007	0.0007	0.0042	0.0069	0.0020	0.0006	0.0011	0.0018	0.0015
Ribulose 5-phosphate	0.0018	0.0034	0.0009	0.0013	0.0027	0.0015	0.0093	0.0089	0.0036	0.0080	0.0045	0.0048	0.0024	0.0029	0.0008	0.0027	0.0024	0.0074	0.0073	0.0046	0.0041	0.0023	0.0059	0.0046
Sedoheptulose 7-phosphate	0.0041	0.0008	0.0018	0.0026	0.0028	0.0025	0.0090	0.0111	0.0043	0.0042	0.0034	0.0149	0.0012	0.0028	0.0006	0.0005	0.0023	0.0011	0.0074	0.0044	0.0042	0.0026	0.0025	0.0032
S-Glutathionyl-L-cysteine	0.0081	0.0007	0.0617	0.0067	0.0082	0.0120	0.0065	0.0056	0.0044	0.0069	0.0206	0.0057	0.0077	0.0067	0.0029	0.0027	0.0142	0.0006	0.0008	0.0033	0.0159	0.0108	0.0013	0.0154
(S)-N-Methylcanadine	0.0014	0.0003	0.0005	0.0005	0.0002	0.0008	0.0013	0.0006	0.0006	0.0013	0.0009	0.0007	0.0002	0.0004	0.0003	0.0004	0.0007	0.0031	0.0107	0.0003	0.0006	0.0015	0.0007	0.0008
Succinic acid	0.0204	0.0129	0.0432	0.0261	0.1303	0.0331	0.0869	0.1226	0.0532	0.1040	0.0275	0.0134	0.0225	0.0085	0.0154	0.0105	0.0348	0.0258	0.1026	0.0289	0.0310	0.0830	0.0715	0.1000
Taurocholic acid	0.0002	0.0005	0.0000	0.0138	0.0012	0.0197	0.0022	0.0011	0.0009	0.0052	0.0008	0.0034	0.0006	0.0025	0.0000	0.0000	0.0014	0.0004	0.0010	0.0011	0.0024	0.0007	0.0007	0.0016
Taurodeoxycholate/ Taurochenodeoxycholate/ Tauroursodeoxycholic acid	0.0006	0.0004	0.0001	0.0160	0.0024	0.0137	0.0023	0.0013	0.0015	0.0068	0.0012	0.0013	0.0012	0.0008	0.0000		0.0024	0.0004	0.0010	0.0012	0.0015	0.0006	0.0006	0.0018
Thiomorpholine 3-carboxylate			0.0018	0.0005			0.0014	0.0005	0.0013	0.0023	0.0004		0.0003				0.0005							0.0018
Threonic acid	0.0052	0.0072	0.0056	0.0031	0.0016	0.0017	0.0027	0.0024	0.0026	0.0020	0.0017	0.0038	0.0022	0.0022	0.0035	0.0023	0.0024	0.0041	0.0013	0.0012	0.0031	0.0018	0.0014	0.0024
Trovafloxacin/ Daidzin/ Chrysophanol 8-O-beta-D-glucoside/ Frangulin A/ Puerarin/ Flavonol 7-O-beta-D-glucoside/ Tenitramine	0.0002	0.0000	0.0001	0.0001	0.0001	0.0001	0.0007	0.0001	0.0003	0.0003	0.0001	0.0001	0.0001	0.0000	0.0004	0.0000	0.0005	0.0000	0.0001	0.0003	0.0004	0.0002	0.0004	0.0007
UDP			0.0002	0.0002	0.0001		0.0007	0.0013	0.0002	0.0013	0.0003	0.0005	0.0004		0.0001	0.0002	0.0001	0.0009	0.0007	0.0004	0.0001	0.0003	0.0005	0.0006
UDP-glucose/UDP-galactose	0.0049	0.0066	0.0025	0.0014	0.0009	0.0035	0.0110	0.0179	0.0024	0.0046	0.0006	0.0052	0.0016	0.0003	0.0003	0.0015	0.0016	0.0032	0.0122	0.0051	0.0011	0.0006	0.0058	0.0038
UDP-glucuronic acid	0.0004	0.0005	0.0029	0.0002	0.0000	0.0002	0.0007	0.0005	0.0001	0.0005	0.0001	0.0022	0.0006	0.0004	0.0019	0.0003	0.0006	0.0011	0.0011	0.0003	0.0003	0.0001	0.0004	0.0003
UDP-N-acetylglucosamine	0.0173	0.0077	0.0057	0.0304	0.0120	0.0164	0.0128	0.0219	0.0068	0.0187	0.0012	0.0019	0.0095	0.0017	0.0059	0.0055	0.0063	0.0192	0.0137	0.0072	0.0032	0.0043	0.0054	0.0089
UMP	0.0074	0.0008	0.0037	0.0075	0.0009	0.0037	0.0132	0.0262	0.0072	0.0155	0.0004	0.0008	0.0052	0.0003	0.0003	0.0006	0.0016	0.0050	0.0112	0.0068	0.0003	0.0009	0.0172	0.0031
Uric acid	0.0136	0.0184	0.0029	0.0188	0.0322	0.0206	0.0318	0.0357	0.0029	0.0521	0.0527	0.0195	0.0174	0.0177	0.0095	0.0162	0.0269	0.0121	0.0281	0.0295	0.0235	0.0566	0.0198	0.0425
UTP		0.0000	0.0000	0.0000	0.0001	0.0000	0.0003	0.0002	0.0001	0.0005	0.0002	0.0008	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0002	0.0001	0.0004
Valeric acid	0.0005	0.0003		0.0010	0.0004	0.0004	0.0006	0.0005	0.0006	0.0005					0.0006	0.0007								
XA0008	0.0019	0.0030	0.0006	0.0002	0.0006	0.0020	0.0015	0.0027	0.0022	0.0013	0.0021	0.0006	0.0019	0.0006	0.0014	0.0004	0.0026	0.0005	0.0019	0.0004	0.0019	0.0021	0.0011	0.0015
XA0010	0.0003	0.0001	0.0003	0.0009	0.0002	0.0004	0.0006	0.0003	0.0005	0.0002	0.0006	0.0002	0.0002	0.0001	0.0003	0.0001	0.0004	0.0015	0.0018	0.0003	0.0001	0.0001	0.0008	0.0011
XA0019	0.0039	0.0061	0.0058	0.0054	0.0043	0.0037	0.0037	0.0098	0.0050	0.0037	0.0092	0.0033	0.0035	0.0040	0.0108	0.0004	0.0047	0.0088	0.0051	0.0014	0.0098	0.0047	0.0004	0.0037
XA0023	0.0054	0.0003	0.0052	0.0026	0.0018	0.0014	0.0065	0.0035	0.0030	0.0035	0.0044	0.0037	0.0033	0.0020	0.0061		0.0033	0.0018	0.0010	0.0017	0.0054	0.0034	0.0012	0.0047
XA0028	0.0015	0.0001	0.0042	0.0014	0.0023	0.0004	0.0022	0.0070	0.0020	0.0047	0.0011	0.0000	0.0019	0.0000	0.0001	0.0001	0.0011	0.0004	0.0006	0.0012	0.0005	0.0004	0.0013	0.0011
XA0029	0.0002	0.0001	0.0017	0.0000	0.0012	0.0005	0.0004	0.0005	0.0004	0.0004	0.0010	0.0003	0.0001	0.0002	0.0002	0.0001	0.0008	0.0002	0.0001	0.0002	0.0007	0.0009	0.0003	0.0007
XA0033	0.0744	0.0196	0.0733	0.0624	0.0630	0.0516	0.0177	0.0183	0.0118	0.0121	0.0277	0.0110	0.0183	0.0119	0.0166	0.0060	0.0268	0.0508	0.0366	0.0166	0.0112	0.0058	0.0177	0.0079
XA0039	0.0011	0.0010	0.0000	0.0038	0.0000	0.0000	0.0003	0.0002	0.0003	0.0003	0.0001	0.0046	0.0020		0.0001	0.0000	0.0000		0.0000		0.0008	0.0001		0.0000
XA0041	0.0095	0.0042	0.0037	0.0145	0.0065	0.0083	0.0074	0.0122	0.0038	0.0099	0.0008	0.0012	0.0056	0.0011	0.0035	0.0039	0.0037	0.0107	0.0070	0.0053	0.0018	0.0033	0.0035	0.0054
XA0045	0.0039	0.0032	0.0028	0.0005	0.0014	0.0016	0.0030	0.0071	0.0024	0.0032	0.0050	0.0033	0.0117	0.0067	0.0157	0.0073	0.0047	0.0195	0.0024	0.0015	0.0039	0.0028	0.0012	0.0013
XA0048	0.0002	0.0032	0.0074	0.0040	0.0041	0.0121	0.0030	0.0064	0.0032	0.0035	0.0067	0.0014	0.0020	0.0013	0.0022	0.0014	0.0043	0.0016	0.0032	0.0023	0.0033	0.0064	0.0054	0.0039
XA0050	0.0002	0.0000	0.0004	0.0003	0.0003	0.0002	0.0003	0.0005	0.0004	0.0004	0.0002	0.0000	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0000	0.0002	0.0001	0.0001	0.0003	0.0001
XA0061	0.0001	0.0000	0.0005	0.0000	0.0012	0.0003	0.0003	0.0007	0.0001	0.0005	0.0004	0.0001	0.0001	0.0002	0.0003	0.0000	0.0003	0.0001	0.0001	0.0001	0.0003	0.0004	0.0004	0.0003
XA0065	0.0035	0.0010	0.0029	0.0056	0.0080	0.0049	0.0025	0.0062	0.0028	0.0052	0.0056	0.0009	0.0022	0.0013	0.0015	0.0013	0.0029	0.0018	0.0030	0.0016	0.0013	0.0030	0.0029	0.0030
XA0068	0.0002	0.0002	0.0008	0.0003	0.0004	0.0002	0.0003	0.0004	0.0002	0.0003	0.0002	0.0001	0.0001	0.0001	0.0009	0.0002	0.0002	0.0002	0.0004	0.0002	0.0001	0.0001	0.0004	0.0002
XA0069	0.0000	0.0002	0.0003	0.0020	0.0014	0.0011	0.0007	0.0030	0.0021	0.0025	0.0028	0.0002	0.0007	0.0000			0.0001	0.0000	0.0001	0.0002	0.0013	0.0007		0.0003
XA0072	0.0012	0.0005	0.0037	0.0036	0.0047	0.0019	0.0013	0.0025	0.0013	0.0024	0.0025	0.0001	0.0017	0.0010	0.0013	0.0011	0.0020	0.0026	0.0021	0.0007	0.0005	0.0013	0.0013	0.0011
Xanthine	0.0039	0.0019	0.0119	0.0092	0.0302	0.0264	0.0223	0.0110	0.0192	0.0144	0.0287	0.0235	0.0081	0.0138	0.0123	0.0056	0.0310	0.0089	0.0129	0.0090	0.0119	0.0193	0.0219	0.0301
Xanthosine	0.0001	0.0000	0.0004	0.0002	0.0003	0.0004	0.0013	0.0009	0.0004	0.0011	0.0009	0.0007	0.0002	0.0007	0.0017	0.0001	0.0010	0.0003	0.0008	0.0003	0.0003	0.0009	0.0011	0.0021
73.031m/z		3.20E-04		1.10E-03	1.50E-03	6.00E-04	1.10E-03	1.10E-03	1.10E-03	1.00E-03	1.60E-03						5.90E-04							1.00E-03
145.018m/z	1.60E-04						6.20E-04		7.40E-04	4.20E-04			2.20E-04			7.10E-04	5.20E-04	2.50E-04	6.20E-04	5.40E-04		3.60E-04	2.80E-03	1.10E-03
145.018m/z_2	1.60E-03		1.50E-03	1.10E-03			1.20E-03		2.40E-03	5.40E-04			8.10E-04			1.70E-03	9.90E-04		2.50E-04	3.40E-04	1.80E-03	2.20E-03	3.00E-03	1.80E-03
190.018m/z	4.70E-03	1.80E-04	2.60E-03	7.10E-03	5.20E-03	3.50E-03	3.60E-03	4.40E-03	3.40E-03	6.10E-03	3.60E-03	1.40E-03	2.90E-03	1.10E-03	2.00E-03	5.20E-04	3.30E-03			5.80E-04	4.70E-03	2.40E-03	3.00E-04	2.50E-03
AL(-2.86);	4.10E-04	9.10E-04	7.40E-04	2.10E-04	5.20E-04	6.70E-04	1.20E-03	2.50E-04	8.70E-04	3.70E-04	2.60E-04		9.80E-04	2.20E-03	1.20E-03	1.00E-03	3.10E-03	4.30E-04	4.70E-04	6.60E-04	1.20E-03	4.60E-04	1.70E-03	1.00E-03
VL(-4.24);	2.50E-03	5.70E-04	1.80E-03	8.70E-04	2.00E-03	1.30E-03	4.70E-03	6.60E-04	4.30E-03	1.30E-03	6.60E-04	7.70E-04	1.20E-03	2.40E-03	2.40E-03	1.00E-03	4.30E-03	7.20E-04	1.30E-03	2.60E-03	3.10E-03	1.60E-03	5.60E-03	4.00E-03
234.027m/z	2.20E-04	2.20E-04	2.50E-04	2.20E-04	1.80E-04	1.10E-04	5.20E-04	3.20E-04	3.90E-04	5.00E-04	2.10E-04	4.40E-04	3.30E-04	5.10E-04	5.20E-04	2.00E-04	4.30E-04	3.00E-04	1.60E-04	8.70E-04	3.20E-04	1.60E-04	3.30E-04	2.70E-04
246.951m/z	3.70E-03	2.70E-03	1.20E-03	7.60E-03	8.20E-03	5.50E-03	5.50E-03	9.00E-03	3.90E-03	8.50E-03	6.10E-03	1.10E-03	1.10E-03	5.60E-03	1.80E-03	1.60E-03	2.60E-03	3.90E-05	1.40E-04	2.90E-03	6.90E-03	6.50E-03	3.90E-03	6.70E-03
247.04m/z	4.00E-03	4.70E-05	2.00E-03	7.40E-04	2.90E-03	1.30E-03	1.10E-03	8.50E-04	7.40E-04	1.20E-03	2.70E-04	1.90E-04	1.50E-03	1.80E-04	1.30E-04	3.60E-04	1.90E-03			4.00E-04	8.80E-04	8.40E-04	3.20E-04	9.70E-04
255.631m/z	1.80E-05	4.00E-05	6.30E-06	1.20E-03	1.30E-03	7.60E-04	4.90E-05	3.00E-04	3.30E-05	5.50E-04	2.10E-04	2.60E-05	6.80E-05		2.90E-06		1.70E-05	1.60E-05	5.70E-05	7.40E-05	4.80E-05	1.00E-04		1.30E-05
261.029m/z	6.10E-05	9.50E-05	8.20E-05	7.40E-05	8.30E-05	7.20E-05	3.50E-04	8.70E-04	1.10E-03	9.20E-04	6.40E-04	4.80E-04	5.00E-04			7.00E-05	4.00E-04	9.70E-05	3.30E-04	8.50E-04	4.10E-04	4.00E-04	1.00E-03	7.50E-04
FT(-2.98);	9.60E-05	7.70E-05	1.30E-04	1.60E-04	1.90E-04	2.70E-04	5.90E-04	3.00E-04	1.10E-03	3.50E-04	2.60E-04	1.70E-04	3.00E-04	3.30E-04	1.90E-04	1.20E-04	8.10E-04	7.80E-05	4.20E-04	9.00E-04	4.30E-04	3.50E-04	1.90E-03	5.70E-04
265.149m/z	8.00E-04	1.30E-03	8.20E-04	5.50E-04	1.10E-04	4.70E-04	8.50E-04	4.20E-04	1.10E-03	1.30E-03	1.00E-04	3.10E-04	9.70E-04	4.00E-04	3.60E-04	1.00E-03	2.70E-03	4.20E-04	1.40E-03	4.30E-04	5.10E-04	6.80E-05	3.80E-04	4.60E-03
267.04m/z	9.30E-06	9.60E-05	1.00E-04	9.60E-04	5.90E-04	3.70E-04	3.00E-04	1.20E-03	7.00E-04	8.10E-04	9.10E-04	6.30E-05	2.50E-04	6.40E-06			3.30E-05		2.20E-05		4.10E-04	1.80E-04		5.40E-05
273.129m/z	1.20E-04		5.40E-04		3.70E-05		1.60E-03	1.00E-04	9.30E-04	1.40E-04	4.60E-05	1.10E-03	1.80E-03	5.80E-04	1.00E-03	4.50E-04	2.20E-03			2.80E-03			3.00E-03	1.30E-04
275.008m/z					1.80E-04		1.90E-04	6.20E-04	5.90E-04	5.70E-04	3.20E-04	2.70E-04	2.20E-04				3.70E-04			3.50E-04	3.40E-04	1.90E-04	5.10E-04	5.10E-04
282.067m/z	7.30E-04	5.50E-06	2.50E-04	8.40E-04	6.00E-04	7.30E-03	2.90E-03	8.50E-03	9.10E-04	2.20E-03	6.60E-03	2.00E-03	8.20E-04	1.30E-04	5.00E-05	8.00E-05	3.30E-03	2.60E-05		9.80E-04	1.30E-03	1.20E-02	1.70E-03	1.00E-02
287.995m/z	2.50E-03	9.70E-05	1.30E-03	3.40E-03	2.70E-03	2.00E-03	1.80E-03	2.20E-03	1.70E-03	2.90E-03	2.10E-03	8.00E-04	1.40E-03	7.40E-04	9.30E-04	4.30E-04	1.50E-03	1.40E-05		3.10E-04	2.40E-03	1.30E-03	2.30E-04	1.40E-03
288.146m/z	4.30E-05	8.60E-06	5.50E-05	8.30E-04	8.70E-05	2.30E-04	4.50E-04	3.20E-04	3.30E-04	2.60E-04	2.20E-04	1.10E-04	1.00E-04	1.10E-04	3.30E-05	2.30E-05	2.10E-04	8.50E-05	2.30E-04	1.20E-04	3.20E-04	2.10E-04	4.70E-04	5.20E-04
288.62m/z	3.70E-05	1.70E-05	9.30E-06	1.20E-03	3.80E-04	1.50E-03	1.00E-04	2.10E-04	1.90E-04	4.50E-04	2.10E-04	1.30E-04	7.60E-05	1.20E-05	2.50E-06	3.90E-06	8.80E-05	1.50E-05	1.10E-04	7.10E-05	7.00E-05	5.70E-05	3.40E-05	8.50E-05
288.997m/z	7.10E-04	9.00E-04	5.50E-04	5.30E-04	4.40E-04	5.60E-04	4.70E-04	6.20E-04	5.20E-04	3.00E-04	1.20E-03	7.20E-04	5.20E-04		1.60E-03		7.10E-04	1.60E-03	1.00E-03	3.20E-04	1.30E-03	5.30E-04		4.60E-04
318.027m/z		8.40E-05	5.20E-05		1.30E-04	8.90E-05	4.50E-04	2.80E-04	6.30E-04	1.30E-04	2.60E-04	4.20E-06	3.10E-04	5.60E-05	7.50E-04	6.40E-05	8.40E-05	7.50E-03	6.00E-03	1.40E-04	1.90E-05	8.00E-05	7.80E-05	5.90E-05
332.022m/z	4.00E-04	4.90E-05	1.00E-03	2.20E-04	7.00E-04	3.90E-04	1.00E-03	1.00E-03	5.90E-04	9.20E-04	2.00E-03	1.30E-03	3.00E-04	1.40E-04		1.10E-04	4.30E-04		1.10E-05	1.80E-04	1.00E-03	8.90E-04	2.10E-04	6.50E-04
335.07m/z	2.80E-05	1.00E-04	1.80E-04	1.70E-04	1.60E-04	3.80E-04	2.30E-04	3.70E-04	2.20E-04	4.60E-04	3.60E-04	5.90E-05	8.30E-05	1.20E-04	8.40E-05	5.20E-05	1.60E-04	8.50E-05	2.10E-04	1.20E-04	1.50E-04	2.40E-04	2.50E-04	1.60E-04
343.027m/z	4.70E-04	4.60E-04	2.50E-04	2.40E-03	6.90E-04	6.20E-03	1.40E-03	4.10E-03	2.50E-03	1.70E-03	2.60E-03	8.70E-04	5.60E-04	4.10E-04	1.40E-04	7.90E-04	5.50E-04			1.30E-03	3.20E-04	2.30E-03	4.00E-03	1.70E-03
343.054m/z	7.30E-05	5.20E-06		2.00E-04	1.50E-05	2.00E-04	3.10E-04	8.20E-04	2.60E-04	4.70E-04	3.70E-04	9.00E-05	1.40E-04			1.20E-05	2.60E-04	1.20E-04	7.20E-04	4.10E-04	4.80E-05	4.10E-04	6.40E-04	8.00E-04
353.041m/z	1.10E-03	2.10E-05	1.90E-03	4.20E-05	5.70E-04	2.80E-04	3.00E-04	1.30E-03	4.30E-04	8.70E-04	9.10E-04	3.00E-04	1.90E-04		1.40E-04	1.60E-04	9.20E-04	9.70E-05		8.20E-05	7.10E-04	1.00E-03	2.60E-04	1.10E-03
357.104m/z	1.20E-04	3.00E-05	2.40E-04	3.00E-04	1.50E-04	4.70E-04	3.80E-04	8.10E-04	3.00E-04	7.00E-04	7.40E-04	2.10E-04	1.60E-04	5.60E-05	3.90E-05	1.80E-05	1.90E-04	1.40E-04	6.00E-04	2.20E-04	3.40E-04	3.90E-04	3.40E-04	3.80E-04
426.066m/z	6.00E-05	1.60E-05	4.90E-05	8.50E-05	7.40E-05	2.60E-05	1.50E-03	1.50E-04	2.40E-04	6.10E-04	1.20E-04	4.80E-04	1.70E-04	5.80E-05	2.10E-05	3.00E-05	7.80E-05	1.80E-05		1.80E-04	3.30E-04	3.40E-04	2.90E-05	2.10E-04
495.059m/z	2.40E-04		1.70E-05	2.40E-04			1.20E-03		1.40E-03	7.00E-04			3.70E-04	7.90E-04	1.30E-04	1.40E-03	7.40E-04	4.60E-04	1.10E-03	1.00E-03	6.90E-05	7.40E-04	5.10E-03	2.00E-03
495.102m/z	1.20E-05	2.30E-05	1.10E-04	3.70E-04	5.20E-04	4.20E-04	2.80E-04	4.40E-04	7.30E-04	3.40E-04	6.40E-04	2.00E-05	1.60E-04				6.40E-05	1.80E-05	6.10E-05	1.40E-04	2.50E-04	3.30E-04	9.00E-05	2.50E-04
497.066m/z	6.80E-04	3.20E-05	9.50E-04	3.60E-04	9.80E-05	5.80E-05	1.60E-04	3.10E-04	2.40E-04	2.10E-04	5.60E-04	2.90E-04	2.40E-04	2.60E-05	2.60E-04	2.80E-05	5.90E-05		6.10E-06		5.90E-04	2.40E-04		9.40E-05
593.033m/z	2.00E-04			2.00E-04		3.90E-06	7.30E-04		8.00E-04	4.90E-04			2.80E-04	6.50E-04	9.20E-05	8.20E-04	5.00E-04	4.10E-04	6.50E-04	6.30E-04	6.10E-05	3.60E-04	2.70E-03	1.10E-03
746.013m/z	2.60E-04	1.10E-04	4.20E-04	4.10E-04		3.40E-04	1.70E-04	1.50E-04	2.90E-04	1.90E-04		2.30E-04	2.30E-04		4.10E-04	2.70E-04	2.50E-04	4.30E-04	1.50E-04		2.10E-04			2.40E-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/ (S)-1-Pyrroline-5-carboxylate/ 3,4-Dihydro-2H-Pyrrole-2-carboxylate/ Glutarimide	112.040					C03564; C03912; C04322; C07275;		Osaka_City_University_ID
(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate(0.78); 5-Dehydro-4-deoxy-D-glucarate(0.78); 2,5-Didehydro-D-gluconate(0.78);	191.020					C00451; C00679; C02780; C03600; C03921; C04575; C04617;		Osaka_City_University_ID
2,3-Diphosphoglyceric acid	264.953					C01159		Osaka_City_University_ID
2,7-Anhydro-alpha-N-acetylneuraminic acid/ 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid/ Sarmentosin epoxide	290.088					C04521; C04580; C08341;		Osaka_City_University_ID
2-Hydroxybutyric acid	103.041					C05984		Osaka_City_University_ID
2-Hydroxyglutaric acid	147.030					C02630,C01087,C03196		Osaka_City_University_ID
2-Hydroxyvaleric acid	117.055							Osaka_City_University_ID
2-Phosphinomethylmalate	211.002					C17947;		Osaka_City_University_ID
2-Phosphoglyceric acid	184.986					C00631		Osaka_City_University_ID
3-Hydroxybutyric acid	103.041					C01089,C03197		Osaka_City_University_ID
3-Phenylpropionic acid	149.060					C05629		Osaka_City_University_ID
3-Phosphoglyceric acid	184.986					C00197		Osaka_City_University_ID
3-Sulfino-L-alanine	152.002					C00606;		Osaka_City_University_ID
5-Hydroxypentanoate	117.055					C02804;		Osaka_City_University_ID
(5-L-Glutamyl)-L-glutamine/ N-Succinyl-L-citrulline	274.105					C05283; C18048;		Osaka_City_University_ID
5-Oxoproline	128.036					C01879		Osaka_City_University_ID
6-endo-Hydroxycineole(1.76); (E)-3,7-Dimethylocta-1,6-diene-3,8-diol(1.76); Limonene-1,2-diol(1.76); (+)-Neomatatabiol(1.76);	169.123					C03092; C04433; C07276; C09790; C16462; C17621; C18020; C18027; C18066;		Osaka_City_University_ID
6-Phosphogluconic acid	275.019					C00345		Osaka_City_University_ID
9-Oxononanoic acid	171.102					C16322;		Osaka_City_University_ID
Acetyl CoA_divalent	403.557					C00024		Osaka_City_University_ID
Adenylosuccinic acid	462.069					C03794		Osaka_City_University_ID
Adipic acid	145.050					C06104		Osaka_City_University_ID
ADP	426.024					C00008		Osaka_City_University_ID
ADP-glucose/GDP-fucose	588.077					C00498;C00325		Osaka_City_University_ID
Alatolide/ Arctiopicrin	349.163					C09290; C09297;		Osaka_City_University_ID
AMP	346.057					C00020		Osaka_City_University_ID
Ascorbate 2-sulfate	254.982					C02812		Osaka_City_University_ID
Ascorbic acid	175.025					C00072		Osaka_City_University_ID
ATP	505.990					C00002		Osaka_City_University_ID
cAMP	328.047					C00575		Osaka_City_University_ID
CDP-choline	487.102					C00307		Osaka_City_University_ID
cis-Aconitic acid	173.009					C00417		Osaka_City_University_ID
Citric acid	191.019					C00158		Osaka_City_University_ID
CMP	322.046					C00055		Osaka_City_University_ID
CoA_divalent	382.551					C00010		Osaka_City_University_ID
D-Alanyl-D-alanine/ N5-Methyl-L-glutamine/ N-gamma-Acetyldiaminobutyrate/ Daminozide	159.078					C00993; C03153; C06442; C10996;		Osaka_City_University_ID
Decanoic acid	171.139					C01571		Osaka_City_University_ID
D-Glucosamine 6-phosphate(-1.15); 1-Amino-1-deoxy-scyllo-inositol 4-phosphate(-1.15); D-Galactosamine 1-phosphate(-1.15);	258.039					C00352; C01283; C03783; C06156; C06377; C12213; C12214;		Osaka_City_University_ID
Dihydroxyacetone phosphate	168.991					C00111		Osaka_City_University_ID
D-myo-Inositol 1,2-cyclic phosphate/ 6-Deoxy-5-ketofructose 1-phosphate	241.013					C04299; C16848;		Osaka_City_University_ID
D-Xylonate/ L-Arabinonate/ D-Arabinonate/ D-Ribonate/ L-Xylonate/ L-Lyxonate/ 7-Methylxanthine(8)/ 3-Methylxanthine(8)/ 1-Methylxanthine(8)	165.040					C00502; C00545; C00878; C01685; C05411; C05412; C16353; C16357; C16358;		Osaka_City_University_ID
D-Xylulose 5-phosphate/alpha-D-Ribose 1-phosphate/D-Arabinose 5-phosphate	229.013					C00231; C00620; C01112;		Osaka_City_University_ID
Ethanolamine phosphate	140.012					C00346		Osaka_City_University_ID
Evoxanthidine	268.060					C10668;		Osaka_City_University_ID
FAD_divalent	391.573					C00016		Osaka_City_University_ID
Fructose 1,6-diphosphate	338.990					C00354		Osaka_City_University_ID
Fructose 6-phosphate	259.023					C05345,C00085		Osaka_City_University_ID
Fructoselysine 6-phosphate(-7)	387.120					C16489;		Osaka_City_University_ID
Fumaric acid	115.004					C00122		Osaka_City_University_ID
gamma-L-Glutamyl-D-alanine	217.084					C03738;		Osaka_City_University_ID
GDP	442.018					C00035		Osaka_City_University_ID
GDP-glucose/GDP-mannose/GDP-galactose	604.071					C00394;C00096;C02280		Osaka_City_University_ID
Glucaric acid	209.031					C00767,C00818		Osaka_City_University_ID
Gluconic acid	195.051					C00257		Osaka_City_University_ID
Glucose 1-phosphate	259.023					C00103		Osaka_City_University_ID
Glucose 6-phosphate	259.023					C00668,C01172,C00092		Osaka_City_University_ID
Glucuronic acid	193.036					C00191		Osaka_City_University_ID
Glyceric acid	105.019					C00258		Osaka_City_University_ID
Glycerol 3-phosphate	171.007					C00093		Osaka_City_University_ID
Glycocholic acid	464.303					C01921		Osaka_City_University_ID
Glycyl-leucine/ N6-Acetyl-L-lysine/ 6-Acetamido-3-aminohexanoate/ N2-Acetyl-L-lysine	187.108					C02155; C02727; C03846; C12989;		Osaka_City_University_ID
GMP	362.052					C00144		Osaka_City_University_ID
GTP	521.985					C00044		Osaka_City_University_ID
Heptanoic acid	129.092							Osaka_City_University_ID
Hexanoic acid	115.076					C01585		Osaka_City_University_ID
Hippuric acid	178.051					C01586		Osaka_City_University_ID
Homovanillic acid	181.051					C05582		Osaka_City_University_ID
Hyoscyamine methylbromide	382.102					C13109;		Osaka_City_University_ID
IMP	347.040					C00130		Osaka_City_University_ID
Inosine/ 2(alpha-D-Mannosyl)-D-glycerate	267.073					C00294; C11544;		Osaka_City_University_ID
Isethionic acid	124.992					C05123		Osaka_City_University_ID
Isopimpinellin/ Glycerophosphoglycerol/ 2,3',4,6-Tetrahydroxybenzophenone/ Pimpinellin	245.045					C02162; C03274; C06355; C09285;		Osaka_City_University_ID
Isosorbide mononitrate/ O-Oxalylhomoserine/ Nitrilotriacetic acid	190.036					C07714; C08294; C14695;		Osaka_City_University_ID
Lactic acid	89.025					C00186,C00256,C01432		Osaka_City_University_ID
Lauric acid	199.171					C02679		Osaka_City_University_ID
Malic acid	133.014					C00149,C00497,C00711		Osaka_City_University_ID
myo-Inositol 1-phosphate/myo-Inositol 3-phosphate	259.023					C01177;C04006		Osaka_City_University_ID
N2-(D-1-Carboxyethyl)-L-lysine	217.119					C04020;		Osaka_City_University_ID
N-(6-Aminohexanoyl)-6-aminohexanoate/ Leucyl-leucine	243.172					C01255; C11332;		Osaka_City_University_ID
N-Acetylaspartic acid	174.040					C01042		Osaka_City_University_ID
N-Acetylglucosamine 1-phosphate	300.050					C04256		Osaka_City_University_ID
N-Acetylglucosamine 6-phosphate	300.050					C00357		Osaka_City_University_ID
N-Acetylglutamic acid	188.056					C00624		Osaka_City_University_ID
N-Acetyl-L-citrulline	216.099					C15532;		Osaka_City_University_ID
N-Acetylneuraminic acid	308.100					C00270		Osaka_City_University_ID
NAD+	662.103					C00003		Osaka_City_University_ID
NADP+	742.068					C00006		Osaka_City_University_ID
Octanoic acid	143.108					C06423		Osaka_City_University_ID
Orthophosphate/ Potassium acetate	96.970					C00009; C12554;		Osaka_City_University_ID
Pantothenic acid	218.103					C00864		Osaka_City_University_ID
Pelargonic acid	157.123					C01601		Osaka_City_University_ID
Phosphocreatine	210.028					C02305		Osaka_City_University_ID
Phosphoenolpyruvic acid	166.976					C00074		Osaka_City_University_ID
Phthalic acid	165.020					C01606		Osaka_City_University_ID
Prostaglandin E2	351.219					C00584		Osaka_City_University_ID
Psorospermin(0)/ S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine/ Methylophiopogonone A(0)	339.088					C10090; C14877; C17473;		Osaka_City_University_ID
Pterin/ 3-Hydroxy-L-glutamate/ 4-Hydroxy-L-glutamate/ L-erythro-4-Hydroxyglutamate	162.041					C00715; C03066; C03079; C05947;		Osaka_City_University_ID
Pyruvic acid	87.010					C00022		Osaka_City_University_ID
Ribose 5-phosphate	229.013					C00117		Osaka_City_University_ID
Ribulose 5-phosphate	229.012					C00199,C01101		Osaka_City_University_ID
Sedoheptulose 7-phosphate	289.034					C05382		Osaka_City_University_ID
S-Glutathionyl-L-cysteine	425.083					C05526;		Osaka_City_University_ID
(S)-N-Methylcanadine	353.161					C02915;		Osaka_City_University_ID
Succinic acid	117.019					C00042		Osaka_City_University_ID
Taurocholic acid	514.286					C05122		Osaka_City_University_ID
Taurodeoxycholate/ Taurochenodeoxycholate/ Tauroursodeoxycholic acid	498.291					C05463; C05465; C16868;		Osaka_City_University_ID
Thiomorpholine 3-carboxylate	146.029					C03901;		Osaka_City_University_ID
Threonic acid	135.030					C01620		Osaka_City_University_ID
Trovafloxacin/ Daidzin/ Chrysophanol 8-O-beta-D-glucoside/ Frangulin A/ Puerarin/ Flavonol 7-O-beta-D-glucoside/ Tenitramine	415.104					C07664; C10216; C10316; C10346; C10524; C15580; C17719;		Osaka_City_University_ID
UDP	402.997					C00015		Osaka_City_University_ID
UDP-glucose/UDP-galactose	565.050					C00029;C00052		Osaka_City_University_ID
UDP-glucuronic acid	579.028					C00167		Osaka_City_University_ID
UDP-N-acetylglucosamine	606.075					C00043		Osaka_City_University_ID
UMP	323.030					C00105		Osaka_City_University_ID
Uric acid	167.021					C00366		Osaka_City_University_ID
UTP	482.963					C00075		Osaka_City_University_ID
Valeric acid	101.061					C00803		Osaka_City_University_ID
XA0008	152.996							Osaka_City_University_ID
XA0010	154.027							Osaka_City_University_ID
XA0019	191.020							Osaka_City_University_ID
XA0023	207.015							Osaka_City_University_ID
XA0028	230.530							Osaka_City_University_ID
XA0029	236.024							Osaka_City_University_ID
XA0033	242.080							Osaka_City_University_ID
XA0039	286.061							Osaka_City_University_ID
XA0041	302.534							Osaka_City_University_ID
XA0045	320.064							Osaka_City_University_ID
XA0048	333.061							Osaka_City_University_ID
XA0050	338.067							Osaka_City_University_ID
XA0061	422.088							Osaka_City_University_ID
XA0065	445.055							Osaka_City_University_ID
XA0068	535.038							Osaka_City_University_ID
XA0069	535.087							Osaka_City_University_ID
XA0072	547.123							Osaka_City_University_ID
Xanthine	151.026					C00385		Osaka_City_University_ID
Xanthosine	283.069					C01762		Osaka_City_University_ID
73.031m/z	73.031						
145.018m/z	145.018						
190.018m/z	190.018						
AL(-2.86);	201.125						
VL(-4.24);	229.156						
234.027m/z	234.027						
246.951m/z	246.951						
247.04m/z	247.04						
255.631m/z	255.631						
261.029m/z	261.029						
FT(-2.98);	265.12						
265.149m/z	265.149						
267.04m/z	267.04						
273.129m/z	273.129						
275.008m/z	275.008						
282.067m/z	282.067						
287.995m/z	287.995						
288.146m/z	288.146						
288.62m/z	288.62						
288.997m/z	288.997						
318.027m/z	318.027						
332.022m/z	332.022						
335.07m/z	335.07						
343.027m/z	343.027						
343.054m/z	343.054						
353.041m/z	353.041						
357.104m/z	357.104						
426.066m/z	426.066						
495.059m/z	495.059						
495.102m/z	495.102						
497.066m/z	497.066						
593.033m/z	593.033						
746.013m/z	746.013						
1-Pyrroline-2-carboxylate/ (S)-1-Pyrroline-5-carboxylate/ 3_4-Dihydro-2H-Pyrrole-2-carboxylate/ Glutarimide							
(1R_2S)-1-Hydroxypropane-1_2_3-tricarboxylate(0.78); 5-Dehydro-4-deoxy-D-glucarate(0.78); 2_5-Didehydro-D-gluconate(0.78);							
2_3-Diphosphoglyceric acid							
2_7-Anhydro-alpha-N-acetylneuraminic acid/ 2-Deoxy-2_3-dehydro-N-acetylneuraminic acid/ Sarmentosin epoxide							
6-endo-Hydroxycineole(1.76); (E)-3_7-Dimethylocta-1_6-diene-3_8-diol(1.76); Limonene-1_2-diol(1.76); (+)-Neomatatabiol(1.76);							
D-myo-Inositol 1_2-cyclic phosphate/ 6-Deoxy-5-ketofructose 1-phosphate							
Fructose 1_6-diphosphate							
Isopimpinellin/ Glycerophosphoglycerol/ 2_3^_4_6-Tetrahydroxybenzophenone/ Pimpinellin							
METABOLITES_END
#END