#METABOLOMICS WORKBENCH Tennouji_20150714_9305441_mwtab.txt DATATRACK_ID:342 STUDY_ID:ST000230 ANALYSIS_ID:AN000344 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                      	POSITIVE
MS:TUBE_LENS_VOLTAGE             	CATION (POSITIVE)
#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_2_3_4_6_7_8_9-Octachlorodibenzofuran/	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0006	0.0001	0.0004	0.0002	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0002	0.0000	0.0000	0.0001	0.0002	0.0001	0.0002	0.0003
16alpha-Bromo-17beta-estradiol(0)/	0.0001	0.0000	0.0003	0.0001	0.0003	0.0001	0.0012	0.0006	0.0008	0.0005	0.0003	0.0000	0.0004	0.0008	0.0008	0.0011	0.0005	0.0000	0.0000	0.0016	0.0000	0.0003	0.0024	0.0005
1-Methyl-2-pyrrolidone	0.0031		0.0034		0.0028	0.0054	0.0054		0.0036			0.0040					0.0066							0.0064
1-Methyl-4-imidazoleacetic acid	0.0002	0.0001	0.0014	0.0002	0.0001	0.0001	0.0008	0.0003	0.0034	0.0003	0.0002	0.0005	0.0005	0.0005	0.0001	0.0004	0.0001	0.0003	0.0002	0.0008	0.0002	0.0002	0.0006	0.0004
1-Methyladenosine	0.0002	0.0001	0.0009	0.0002	0.0002	0.0002	0.0003	0.0001	0.0004	0.0002	0.0003	0.0003	0.0002	0.0005	0.0016	0.0002	0.0004	0.0003	0.0002	0.0001	0.0002	0.0003	0.0002	0.0002
1-Methylhistamine	0.0002	0.0002	0.0006	0.0007		0.0000	0.0004	0.0005	0.0003	0.0001	0.0001	0.0006	0.0004	0.0021		0.0003	0.0002			0.0003	0.0003		0.0004	0.0001
1-Methylhistidine	0.0029	0.0009	0.0091	0.0010	0.0037	0.0019	0.0091	0.0020	0.0119	0.0017	0.0026	0.0017	0.0059	0.0013	0.0062	0.0027	0.0034	0.0018	0.0019	0.0054	0.0010	0.0032	0.0015	0.0019
1-Methylnicotinamide	0.0038	0.0024	0.0017	0.0007	0.0035	0.0045	0.0075	0.0019	0.0051	0.0014	0.0023	0.0016	0.0068	0.0111	0.0111	0.0067	0.0070	0.0069	0.0040	0.0041	0.0028	0.0062	0.0139	0.0032
1-Pyrroline 5-carboxylic acid			0.0001	0.0003	0.0005			0.0001		0.0001	0.0001		0.0001	0.0004										
2-Aminoadipic acid	0.0016	0.0004	0.0008	0.0034	0.0478	0.0009	0.0053	0.0011	0.0016	0.0012	0.0007	0.0010	0.0012	0.0013	0.0006	0.0008	0.0015	0.0022	0.0014	0.0010	0.0010	0.0014	0.0013	0.0013
2-Aminobutyric acid	0.0074	0.0107	0.0168	0.0122	0.0451	0.0330	0.0397	0.0350	0.0197	0.0363	0.0270	0.0276	0.0362	0.0186	0.0392	0.0110	0.0188	0.0211	0.0309	0.0460	0.0192	0.0358	0.0155	0.0201
2-Methylserine		0.0001	0.0036	0.0001	0.0001	0.0001	0.0001	0.0001	0.0010	0.0002	0.0001	0.0001	0.0001		0.0002	0.0002	0.0001		0.0001	0.0002		0.0002	0.0002	0.0001
2-Phenylethylamine			0.0002		0.0001		0.0004	0.0001	0.0002		0.0001				0.0003		0.0004			0.0003		0.0001	0.0009	0.0002
3_4-Dehydrothiomorpholine-3-carboxylate/	0.0014	0.0000	0.0078	0.0011	0.0013	0.0010	0.0016	0.0019	0.0012	0.0011	0.0030	0.0014	0.0018	0.0006	0.0012	0.0004	0.0018			0.0005	0.0030	0.0029	0.0004	0.0019
3-Aminoisobutyric acid	0.0125	0.0017	0.0170	0.0049	0.0048	0.0055	0.0100	0.0024	0.0186	0.0051	0.0020	0.0085	0.0077	0.0043	0.0025	0.0008	0.0038	0.0066	0.0116	0.0120	0.0057	0.0037	0.0026	0.0024
3-beta-D-Galactosyl-sn-glycerol/ Dyphylline/ 2-(beta-D-Glucosyl)-sn-glycerol/	0.0012	0.0004		0.0037	0.0015	0.0019	0.0048	0.0019	0.0042	0.0019	0.0024	0.0046	0.0028	0.0051	0.0008	0.0017	0.0028	0.0043	0.0060	0.0070	0.0017	0.0031	0.0166	0.0029
3-(Pyrazol-1-yl)-L-alanine/	0.0004			0.0003		0.0001	0.0006			0.0003														
4-Aminobenzoate/ 4-Nitrotoluene/	0.0003	0.0010	0.0001	0.0011	0.0003	0.0006	0.0037	0.0031	0.0004	0.0025	0.0005	0.0002	0.0008		0.0014	0.0003	0.0008		0.0004	0.0009	0.0001	0.0028	0.0004	0.0015
4-(Trimethylammonio)but-2-enoate/	0.0004	0.0002	0.0004	0.0023	0.0004	0.0034	0.0055	0.0061	0.0026	0.0018	0.0019	0.0008	0.0006	0.0003	0.0000	0.0002	0.0007	0.0016	0.0041	0.0007	0.0006	0.0007	0.0010	0.0017
5_6-Dihydrothymine/ gamma-Amino-gamma-cyanobutanoate/ alpha-Amino-gamma-cyanobutanoate/	0.0005	0.0007	0.0003	0.0042	0.0004	0.0013	0.0095	0.0124	0.0045	0.0056	0.0017	0.0005	0.0023		0.0012		0.0012	0.0004	0.0011	0.0030	0.0011	0.0093	0.0010	0.0029
5-Aminovaleric acid	0.0010	0.0002	0.0018	0.0006	0.0007	0.0003	0.0036	0.0009	0.0015	0.0015	0.0007		0.0007				0.0004		0.0004	0.0008	0.0003	0.0006	0.0015	0.0005
5-Hydroxylysine	0.0002	0.0002	0.0005	0.0001	0.0002	0.0002	0.0002	0.0002	0.0003	0.0001	0.0001	0.0002	0.0004	0.0007	0.0004	0.0002	0.0011	0.0005	0.0001	0.0002	0.0001	0.0002	0.0003	0.0002
5-Phosphonooxy-L-lysine/ 2-Deoxystreptamine phospahte/ 2-Deoxystreptamine 4-phosphate/ Phosphoallohydroxy-L-lysine/	0.0019	0.0003	0.0033	0.0003	0.0002	0.0005	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0004	0.0004	0.0010	0.0004	0.0020	0.0006	0.0001	0.0001	0.0002	0.0001		0.0001
6alpha-Fluoro-11beta_17-dihydroxypregn-4-ene-3_20-dione/ 9-Fluoro-11beta_16alpha-dihydroxypregn-4-ene-3_20-dione/	0.0011	0.0004	0.0022	0.0034	0.0003	0.0011	0.0148	0.0031	0.0009	0.0034	0.0042	0.0023	0.0054	0.0027	0.0007	0.0008	0.0034	0.0001	0.0002	0.0033	0.0126	0.0008	0.0026	0.0032
Acetylcysteine/	0.0004	0.0001	0.0013	0.0003	0.0003	0.0003	0.0015	0.0006	0.0007	0.0007	0.0007	0.0004	0.0005	0.0007	0.0002	0.0003	0.0005			0.0006	0.0005	0.0005	0.0005	0.0005
Adenine	0.0011	0.0005	0.0011	0.0030	0.0004	0.0007	0.0011	0.0013	0.0008	0.0013	0.0003	0.0018	0.0009	0.0003	0.0004	0.0002	0.0005	0.0004	0.0004	0.0006	0.0001	0.0002	0.0012	0.0007
Adenosine	0.0068	0.0404	0.0243	0.1097	0.0609	0.0094	0.0163	0.0517	0.0334	0.0350	0.0376	0.0124	0.0304	0.0061	0.0294	0.0684	0.0080	0.0155	0.0233	0.0142	0.0229	0.0286	0.0248	0.0275
ADMA	0.0006	0.0006	0.0020	0.0001	0.0008	0.0002	0.0002	0.0003	0.0005	0.0002	0.0002	0.0007	0.0006	0.0020	0.0005	0.0007	0.0008	0.0006	0.0002	0.0003	0.0004	0.0002	0.0004	0.0004
Ala	0.0035	0.0039	0.0084	0.0092	0.0161	0.0075	0.0133	0.0128	0.0122	0.0180	0.0139	0.0048	0.0092	0.0133	0.0137	0.0078	0.0141	0.0066	0.0089	0.0126	0.0078	0.0169	0.0120	0.0143
Ala-Ala	0.0014	0.0025	0.0066	0.0010	0.0063	0.0054	0.0059	0.0034	0.0090	0.0029	0.0023	0.0016	0.0053	0.0075	0.0036	0.0031	0.0088	0.0014	0.0028	0.0048	0.0056	0.0052	0.0072	0.0047
Ala-Arg/Arg-Ala	0.0001	0.0002	0.0010	0.0001	0.0006	0.0006	0.0008	0.0006	0.0012	0.0004	0.0004	0.0001	0.0004	0.0011	0.0004	0.0007	0.0014	0.0001	0.0002	0.0004	0.0008	0.0006	0.0015	0.0008
Ala-Asn/Asn-Ala/Gly-Gln	0.0003	0.0002	0.0019	0.0002	0.0006	0.0007	0.0009	0.0006	0.0015	0.0004	0.0007	0.0001	0.0006	0.0007	0.0004		0.0014		0.0001	0.0006	0.0007	0.0008	0.0014	0.0008
Ala-Asp/Asp-Ala	0.0002	0.0002	0.0008	0.0002	0.0005	0.0004	0.0010	0.0003	0.0009	0.0004	0.0002	0.0001	0.0005	0.0014	0.0013	0.0006	0.0014	0.0003	0.0003	0.0006	0.0006	0.0004	0.0012	0.0006
Ala-Gly/Gly-Ala	0.0006	0.0009	0.0023	0.0006	0.0011	0.0016	0.0021	0.0007	0.0039	0.0008	0.0007	0.0005	0.0014	0.0032	0.0016	0.0015	0.0035	0.0006	0.0009	0.0016	0.0020	0.0012	0.0040	0.0015
Ala-His/His-Ala	0.0002	0.0001	0.0005	0.0001	0.0004	0.0004	0.0010	0.0002	0.0008	0.0003	0.0002	0.0001	0.0003	0.0005	0.0005	0.0002	0.0007	0.0001	0.0002	0.0006	0.0005	0.0004	0.0011	0.0006
Ala-Lys	0.0003	0.0005	0.0011	0.0002	0.0006	0.0008	0.0015	0.0009	0.0014	0.0010	0.0007	0.0003	0.0010	0.0027	0.0003	0.0009	0.0015	0.0004	0.0006	0.0014	0.0011	0.0008	0.0028	0.0012
Ala-Met	0.0001	0.0001	0.0005	0.0001	0.0002	0.0002	0.0003	0.0002	0.0004	0.0002	0.0001	0.0001	0.0002	0.0007	0.0002	0.0002	0.0005	0.0001	0.0002	0.0002	0.0003	0.0002	0.0004	0.0002
Ala-Ser/Thr-Gly	0.0006	0.0014	0.0022	0.0006	0.0022	0.0019	0.0030	0.0011	0.0043	0.0013	0.0011	0.0004	0.0023	0.0033	0.0022	0.0023	0.0068	0.0008	0.0015	0.0019	0.0031	0.0015	0.0047	0.0025
Ala-Thr/Thr-Ala	0.0007	0.0008	0.0024	0.0007	0.0022	0.0017	0.0030	0.0017	0.0043	0.0017	0.0016	0.0005	0.0017	0.0034	0.0015	0.0015	0.0036	0.0008	0.0021	0.0020	0.0022	0.0021	0.0045	0.0025
Ala-Tyr/Phe-Ser/Tyr-Ala	0.0007	0.0007	0.0022	0.0007	0.0009	0.0016	0.0031	0.0008	0.0031	0.0011	0.0007	0.0007	0.0015	0.0030	0.0017	0.0014	0.0039	0.0008	0.0013	0.0021	0.0025	0.0011	0.0040	0.0021
Ala-Val/Ile-Gly/Leu-Gly/Val-Ala	0.0021	0.0030	0.0063	0.0018	0.0042	0.0053	0.0118	0.0036	0.0140	0.0040	0.0027	0.0015	0.0064	0.0180	0.0051	0.0062	0.0213	0.0030	0.0046	0.0069	0.0095	0.0042	0.0156	0.0098
Anthranilic acid			0.0001		0.0001				0.0001		0.0002			0.0006		0.0003								
Arg	0.0037	0.0276	0.0456	0.0018	0.0023	0.0035	0.0039	0.0007	0.0031	0.0007	0.0005	0.0016	0.0086	0.0839	0.0317	0.0653	0.0200	0.0188	0.0003	0.0034	0.0014	0.0005	0.0110	0.0013
Arg-Asn/Asn-Arg	0.0001	0.0002	0.0006	0.0001	0.0002	0.0002	0.0004	0.0002	0.0006	0.0002	0.0002	0.0001	0.0004	0.0004	0.0002	0.0002	0.0007		0.0000	0.0002	0.0003	0.0002	0.0006	0.0003
Arg-Gln	0.0001	0.0001	0.0003	0.0001	0.0003	0.0001	0.0003	0.0002	0.0006	0.0002	0.0001		0.0002	0.0003	0.0001	0.0001	0.0003		0.0001	0.0002	0.0003	0.0002	0.0005	0.0002
Arg-Glu/Glu-Arg	0.0001	0.0001	0.0005	0.0001	0.0003	0.0003	0.0005	0.0003	0.0007	0.0002	0.0002	0.0001	0.0003	0.0005	0.0002	0.0002	0.0007	0.0001	0.0001	0.0003	0.0004	0.0003	0.0006	0.0004
Arg-Gly/Gly-Arg	0.0001	0.0001	0.0004	0.0002	0.0006	0.0006	0.0008	0.0004	0.0012	0.0005	0.0004	0.0001	0.0004	0.0005	0.0003	0.0003	0.0011	0.0001	0.0002	0.0005	0.0008	0.0004	0.0014	0.0009
Arg-Ile/Arg-Leu/Leu-Arg	0.0002	0.0002	0.0005	0.0001	0.0005	0.0004	0.0011	0.0003	0.0014	0.0003	0.0002	0.0004	0.0007	0.0012	0.0004	0.0005	0.0015	0.0003	0.0006	0.0008	0.0009	0.0004	0.0025	0.0006
Argininosuccinic acid	0.0001	0.0002	0.0008	0.0001	0.0002	0.0002	0.0005	0.0004	0.0008	0.0003	0.0001	0.0001	0.0002	0.0021	0.0002	0.0004	0.0015	0.0004	0.0002	0.0006	0.0003	0.0001	0.0009	0.0004
Arg-Ser/Ser-Arg	0.0003	0.0005	0.0010	0.0002	0.0005	0.0007	0.0012	0.0006	0.0020	0.0005	0.0006	0.0002	0.0010	0.0011	0.0005	0.0008	0.0021	0.0002	0.0003	0.0008	0.0018	0.0005	0.0021	0.0010
Arg-Thr	0.0002	0.0003	0.0005	0.0002	0.0005	0.0007	0.0010	0.0004	0.0016	0.0004	0.0004	0.0001	0.0006	0.0005	0.0004	0.0007	0.0016	0.0001	0.0003	0.0006	0.0008	0.0005	0.0019	0.0009
Arg-Tyr/Tyr-Arg	0.0005	0.0003	0.0010	0.0004	0.0004	0.0005	0.0016	0.0003	0.0016	0.0006	0.0003	0.0002	0.0009	0.0005	0.0016	0.0005	0.0021	0.0002	0.0003	0.0012	0.0012	0.0007	0.0023	0.0014
Arg-Val	0.0001	0.0002	0.0003	0.0001	0.0002	0.0002	0.0005	0.0001	0.0006	0.0001	0.0001		0.0003	0.0011	0.0003	0.0004	0.0008	0.0001	0.0002	0.0003	0.0004	0.0002	0.0009	0.0003
Asn	0.0152	0.0097	0.0422	0.0395	0.0340	0.0208	0.0441	0.0319	0.0382	0.0407	0.0266	0.0218	0.0312	0.0504	0.0381	0.0342	0.0502	0.0044	0.0016	0.0236	0.0220	0.0220	0.0455	0.0341
Asn-Glu	0.0000	0.0000	0.0001	0.0000	0.0001	0.0002	0.0002	0.0001	0.0004	0.0001	0.0000		0.0001	0.0002	0.0001	0.0001	0.0002	0.0000	0.0001	0.0001	0.0001	0.0001	0.0003	0.0002
Asn-Ile/Asn-Leu/Ile-Asn/Leu-Asn/Val-Gln	0.0005	0.0018	0.0021	0.0004	0.0013	0.0013	0.0014	0.0007	0.0021	0.0007	0.0008	0.0003	0.0019	0.0027	0.0013	0.0019	0.0028	0.0004	0.0005	0.0014	0.0019	0.0010	0.0025	0.0012
Asn-Lys/Lys-Asn	0.0000	0.0001	0.0002	0.0001	0.0001	0.0002	0.0004	0.0001	0.0006	0.0001	0.0001	0.0001	0.0002	0.0006	0.0001	0.0001	0.0003			0.0002	0.0003	0.0001	0.0003	0.0003
Asn-Ser/Ser-Asn	0.0003	0.0002	0.0016	0.0002	0.0004	0.0005	0.0006	0.0003	0.0011	0.0004	0.0005	0.0001	0.0005	0.0006	0.0003	0.0004	0.0012	0.0001	0.0002	0.0005	0.0007	0.0004	0.0011	0.0004
Asn-Thr/Ser-Gln/Thr-Asn	0.0004	0.0005	0.0016	0.0004	0.0012	0.0010	0.0024	0.0012	0.0032	0.0018	0.0014	0.0003	0.0011	0.0014	0.0010	0.0011	0.0032	0.0002	0.0007	0.0018	0.0018	0.0016	0.0035	0.0023
Asn-Val/Val-Asn	0.0001	0.0001	0.0008	0.0001	0.0003	0.0003	0.0005	0.0002	0.0007	0.0002	0.0003	0.0001	0.0004	0.0009	0.0001	0.0003	0.0006	0.0001	0.0003	0.0003	0.0005	0.0003	0.0009	0.0004
Asp	0.0346	0.0242	0.0855	0.0089	0.0316	0.0263	0.0851	0.0686	0.0728	0.0564	0.0467	0.0742	0.0792	0.1066	0.3136	0.0168	0.1212	0.0957	0.0266	0.0560	0.0574	0.0577	0.0681	0.0723
Asp-Lys	0.0001	0.0001	0.0003	0.0001	0.0002	0.0002	0.0006	0.0002	0.0005	0.0002	0.0001	0.0001	0.0003	0.0008	0.0002	0.0003	0.0007	0.0002	0.0002	0.0004	0.0003	0.0001	0.0009	0.0002
Asp-Ser/Ser-Asp	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0002	0.0001	0.0003	0.0001	0.0001	0.0001	0.0002	0.0004	0.0002	0.0002	0.0004	0.0001	0.0001	0.0001	0.0002	0.0001	0.0003	0.0001
Atherospermidine/	0.0000	0.0000	0.0001	0.0000	0.0003	0.0002	0.0003	0.0008	0.0001	0.0004	0.0002	0.0000	0.0001	0.0000	0.0006	0.0000	0.0001	0.0000		0.0001	0.0000	0.0001	0.0000	0.0002
beta-Alanyl-L-lysine/ gamma-L-Glutamylputrescine/			0.0001	0.0005		0.0006		0.0001	0.0004	0.0001	0.0001						0.0002					0.0001		0.0002
Betaine	0.0764	0.0235	0.0512	0.1477	0.1583	0.2425	0.3636	0.1336	0.2898	0.1053	0.1763	0.1282	0.1011	0.0926	0.0190	0.0347	0.0669	0.1204	0.2403	0.0835	0.1442	0.0593	0.0611	0.0748
Betaine aldehyde_+H2O	0.0013	0.0014	0.0011	0.0184	0.0006	0.0006	0.0018	0.0023	0.0203	0.0063	0.0028	0.0002	0.0005	0.0031	0.0015	0.0003	0.0006	0.0008	0.0005	0.0006	0.0016	0.0012	0.0013	0.0004
Betonicine			0.0007	0.0001	0.0002	0.0007	0.0004	0.0002	0.0011	0.0001	0.0004	0.0002			0.0002						0.0002	0.0011		
?-Butyrobetaine	0.0033	0.0027	0.0184	0.0189	0.0060	0.0101	0.0111	0.0041	0.0133	0.0029	0.0022	0.0048	0.0096	0.0059	0.0034	0.0105	0.0082	0.0057	0.0035	0.0040	0.0030	0.0018	0.0144	0.0035
Butyrylcarnitine/Isobutyrylcarnitine	0.0129	0.0033	0.0006	0.0109	0.0039	0.0141	0.0084	0.0080	0.0019	0.0071	0.0043	0.0012	0.0047	0.0111	0.0019	0.0069	0.0102	0.0120	0.0139	0.0041	0.0115	0.0023	0.0044	0.0046
Carnitine	0.0702	0.0397	0.0574	0.4943	0.3074	0.3681	0.2048	0.2610	0.0827	0.2333	0.2198	0.0949	0.1451	0.1040	0.0479	0.0789	0.2134	0.1055	0.2322	0.1476	0.1353	0.1940	0.2446	0.2635
Carnosine		0.0001			0.0000	0.0000	0.0001	0.0000	0.0000	0.0000			0.0014	0.0005	0.0001	0.0004	0.0003	0.0002	0.0000	0.0001	0.0001	0.0000	0.0001	0.0000
Choline	0.1050	0.0766	0.2118	0.3086	0.2309	0.1925	0.2606	0.1721	0.3684	0.2569	0.5137	0.1897	0.1587	0.3753	0.2856	0.0876	0.2607	0.1985	0.2398	0.1996	0.3024	0.2634	0.2129	0.2061
cis-4-Hydroxyproline	0.0002	0.0001	0.0004	0.0001	0.0002		0.0002	0.0001	0.0002	0.0001	0.0002		0.0003		0.0004	0.0004	0.0002	0.0004	0.0002		0.0001	0.0003	0.0005	0.0002
Citrulline	0.0037	0.0028	0.0253	0.0055	0.0025	0.0047	0.0050	0.0057	0.0067	0.0072	0.0018	0.0027	0.0056	0.0137	0.0043	0.0148	0.0045	0.0033	0.0036	0.0062	0.0119	0.0020	0.0065	0.0066
Creatine	0.0044	0.0049	0.0017	0.0082	0.0247	0.0081	0.0195	0.0119	0.0084	0.0147	0.0179	0.0053	0.0102	0.0086	0.0166	0.0088	0.0102	0.0111	0.0157	0.0104	0.0076	0.0083	0.0125	0.0166
Creatinine	0.0096	0.0106	0.0518	0.0096	0.0097	0.0104	0.0110	0.0084	0.0424	0.0094	0.0098	0.0129	0.0112	0.0151	0.0089	0.0201	0.0176	0.0140	0.0135	0.0070	0.0079	0.0098	0.0213	0.0123
Cryptolepine/	0.0007	0.0005	0.0007	0.0003	0.0008	0.0006	0.0010	0.0003	0.0013	0.0005	0.0002	0.0002	0.0004	0.0019	0.0004	0.0006	0.0011	0.0003	0.0004	0.0003	0.0007	0.0003	0.0013	0.0005
Cys	0.0001		0.0005	0.0005	0.0223	0.0143	0.0036	0.0071	0.0033	0.0034	0.0182		0.0045		0.0012	0.0003	0.0460			0.0113	0.0004	0.0380	0.0306	0.0461
Cystathionine	0.0059	0.0002	0.0148	0.0172	0.0047	0.0063	0.0079	0.0051	0.0033	0.0106	0.0046	0.0011	0.0027	0.0010	0.0006	0.0386	0.0039	0.0009	0.0030	0.0058	0.0025	0.0059	0.0065	0.0118
Cysteine glutathione disulfide	0.0087	0.0006	0.0975	0.0089	0.0086	0.0156	0.0052	0.0070	0.0063	0.0079	0.0194	0.0076	0.0074	0.0119	0.0024	0.0042	0.0168	0.0004	0.0008	0.0035	0.0203	0.0128	0.0026	0.0190
Cystine	0.0022	0.0000	0.0602	0.0007	0.0008	0.0030	0.0002	0.0002	0.0005	0.0003	0.0041	0.0058	0.0006	0.0048	0.0001	0.0006	0.0050	0.0006	0.0010	0.0003	0.0055	0.0025	0.0002	0.0034
Cytidine	0.0005	0.0012	0.0012	0.0006	0.0041	0.0006	0.0008	0.0009	0.0013	0.0005	0.0012	0.0007	0.0011	0.0022	0.0064	0.0010	0.0010	0.0016	0.0004	0.0004	0.0009	0.0013	0.0015	0.0006
Cytosine			0.0001		0.0000	0.0000	0.0001	0.0000	0.0001	0.0001		0.0002	0.0001				0.0001	0.0001		0.0002				
Dehydrocostus lactone/ Eremanthin/ Dehydromyodesmone/ 3-(1_2_3_4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone/ Curzerenone/ Furanodienone/ Linderenol/ Isodehydrocostus lactone/	0.0003	0.0002	0.0005	0.0008	0.0001	0.0003	0.0035	0.0011	0.0003	0.0012	0.0016	0.0006	0.0016	0.0011	0.0001	0.0002	0.0007			0.0007	0.0036	0.0003	0.0008	0.0007
DIBOA-glucoside/	0.0000			0.0001	0.0000	0.0001	0.0007	0.0005	0.0003	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0002	0.0000	0.0001	0.0003	0.0000	0.0002	0.0011	0.0005
Dicyclohexylamine/	0.0004	0.0004	0.0011	0.0007	0.0001	0.0020	0.0003	0.0002	0.0010	0.0005	0.0001	0.0026	0.0011	0.0104	0.0001	0.0019	0.0183	0.0003	0.0001	0.0018	0.0029	0.0006	0.0019	0.0046
Ergothioneine	0.0001	0.0011	0.0001	0.0201	0.0604	0.0174	0.0103	0.0077	0.0001	0.0096	0.0213	0.0001	0.0029	0.0254	0.0023		0.0079	0.0048	0.0043		0.0112	0.0025		0.0079
Ethanolamine	0.0496	0.0343	0.0980	0.0568	0.0221	0.0538	0.0880	0.0536	0.1160	0.0555	0.0821	0.0568	0.0376	0.0818	0.0384	0.0183	0.0834	0.0505	0.0279	0.0328	0.0775	0.0657	0.0365	0.0423
Fagomine/	0.0002	0.0002	0.0006	0.0015	0.0002	0.0015	0.0020	0.0067	0.0062	0.0009	0.0007	0.0002	0.0001				0.0003	0.0010	0.0027	0.0001	0.0003	0.0001	0.0010	0.0006
Fortimicin KL1/	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0004	0.0001	0.0003	0.0001	0.0001	0.0000	0.0001	0.0001	0.0002	0.0001	0.0002	0.0000	0.0001	0.0003	0.0001	0.0001	0.0004	0.0002
Fructoselysine/	0.0000			0.0001	0.0000	0.0002	0.0002	0.0003	0.0001	0.0002	0.0001	0.0001	0.0001	0.0004			0.0001		0.0001	0.0001	0.0001	0.0002	0.0002	0.0002
GABA	0.0015	0.0026	0.0027	0.0022	0.0012	0.0037	0.0039	0.0103	0.0184	0.0060	0.0018	0.0011	0.0026	0.0044	0.0021	0.0063	0.0052	0.0036	0.0063	0.0027	0.0025	0.0101	0.0166	0.0077
Gln	0.0640	0.0565	0.1515	0.3061	0.3594	0.2547	0.3413	0.2683	0.2378	0.2714	0.2618	0.1928	0.2002	0.2126	0.1769	0.1904	0.2724	0.0385	0.0600	0.2028	0.1817	0.2568	0.4754	0.3024
Gln-Thr/Thr-Gln	0.0001	0.0002	0.0005	0.0001	0.0004	0.0003	0.0005	0.0002	0.0009	0.0002	0.0003	0.0001	0.0003	0.0008	0.0003	0.0003	0.0008	0.0002	0.0003	0.0004	0.0006	0.0004	0.0009	0.0004
Glu	0.0151	0.0103	0.0492	0.0185	0.0223	0.0143	0.0258	0.0184	0.0198	0.0135	0.0170	0.0217	0.0238	0.0255	0.0190	0.0215	0.0272	0.0348	0.0106	0.0150	0.0147	0.0124	0.0220	0.0148
Gluconolactone	0.0017	0.0003	0.0023	0.0022	0.0024	0.0068	0.0043	0.0034	0.0019	0.0020	0.0033	0.0018	0.0011	0.0010	0.0015	0.0006	0.0032	0.0065	0.0046	0.0019	0.0009	0.0078	0.0044	0.0053
Glucosamine				0.0003	0.0001	0.0008	0.0023	0.0025	0.0012	0.0013	0.0015	0.0003	0.0003		0.0002		0.0014		0.0002	0.0013	0.0002	0.0029	0.0041	0.0025
?-Glu-Cys					0.0001	0.0001	0.0010	0.0014	0.0005	0.0005	0.0010		0.0005	0.0004	0.0013	0.0003	0.0010	0.0003	0.0002	0.0013		0.0011	0.0021	0.0017
Glu-Glu	0.0001	0.0001	0.0003	0.0001	0.0002	0.0002	0.0002	0.0001	0.0003	0.0001	0.0001	0.0001	0.0001	0.0008	0.0004	0.0002	0.0004	0.0002	0.0001	0.0002	0.0002	0.0001	0.0005	0.0001
Glu-Ile/Glu-Leu/Ile-Glu/Leu-Glu	0.0007	0.0006	0.0023	0.0004	0.0020	0.0015	0.0020	0.0009	0.0029	0.0009	0.0008	0.0003	0.0015	0.0043	0.0020	0.0023	0.0044	0.0016	0.0018	0.0018	0.0022	0.0010	0.0046	0.0016
Glu-Lys/Lys-Glu	0.0001	0.0002	0.0005	0.0002	0.0003	0.0005	0.0009	0.0005	0.0014	0.0003	0.0003	0.0001	0.0006	0.0025	0.0005	0.0008	0.0017	0.0005	0.0005	0.0006	0.0007	0.0004	0.0020	0.0006
Glu-Ser	0.0003	0.0006	0.0014	0.0002	0.0007	0.0008	0.0010	0.0004	0.0011	0.0004	0.0004	0.0003	0.0010	0.0020	0.0008	0.0013	0.0024	0.0009	0.0006	0.0007	0.0009	0.0005	0.0022	0.0007
Glutathione (GSH)	0.0003	0.0003	0.0007	0.0013	0.1657	0.0965	0.1055	0.1506	0.0334	0.0642	0.0640	0.0002	0.0336	0.0084	0.0833	0.0064	0.1048	0.0524	0.0416	0.1703	0.0005	0.1190	0.4396	0.1573
Glutathione (GSSG)_divalent	0.0606	0.0336	0.1146	0.1597	0.0750	0.0681	0.1479	0.1522	0.0978	0.1526	0.0817	0.0177	0.0847	0.0579	0.1002	0.0456	0.0511	0.0108	0.0231	0.0527	0.0794	0.0702	0.0358	0.0889
Glu-Tyr/Tyr-Glu	0.0001	0.0001	0.0000	0.0001	0.0002	0.0004	0.0003	0.0001	0.0006	0.0001	0.0001	0.0001	0.0002	0.0005	0.0003	0.0003	0.0005	0.0002	0.0002	0.0002	0.0003	0.0002	0.0007	0.0003
Gly	0.0031	0.0014	0.0088	0.0035	0.0047	0.0034	0.0056	0.0040	0.0049	0.0041	0.0054	0.0034	0.0041	0.0074	0.0045	0.0042	0.0073	0.0036	0.0025	0.0030	0.0044	0.0046	0.0048	0.0051
Gly-Asn	0.0002	0.0001	0.0017	0.0002	0.0004	0.0003	0.0006	0.0003	0.0009	0.0003	0.0004	0.0001	0.0004	0.0004	0.0002	0.0001	0.0010			0.0003	0.0004	0.0004	0.0007	0.0004
Glycerophosphocholine	0.0959	0.1244	0.0798	0.1500	0.4602	0.2434	0.3314	0.4969	0.4064	0.4224	0.3912	0.0829	0.1673	0.0229	0.2205	0.0308	0.2199	0.1717	0.6406	0.1598	0.2254	0.4236	0.4377	0.3519
Gly-Gly	0.0005	0.0006	0.0014	0.0007	0.0011	0.0012	0.0008	0.0005	0.0013	0.0006	0.0008	0.0005	0.0009	0.0018	0.0025	0.0009	0.0016	0.0008	0.0007	0.0007	0.0009	0.0006	0.0017	0.0008
Gly-His/His-Gly	0.0001	0.0000	0.0003	0.0001	0.0003	0.0002	0.0012	0.0001	0.0009	0.0002	0.0002	0.0001	0.0002	0.0004	0.0004	0.0002	0.0007	0.0001	0.0001	0.0004	0.0003	0.0003	0.0009	0.0005
Gly-Ile/Gly-Leu	0.0064	0.0273	0.0089	0.0075	0.0083	0.0128	0.0155	0.0039	0.0107	0.0079	0.0029	0.0020	0.0134	0.0173	0.0078	0.0108	0.0283	0.0039	0.0048	0.0062	0.0126	0.0051	0.0100	0.0107
Gly-Lys/Lys-Gly	0.0004	0.0008	0.0022	0.0004	0.0022	0.0015	0.0029	0.0014	0.0047	0.0013	0.0011	0.0004	0.0019	0.0033	0.0023	0.0012	0.0042	0.0003	0.0006	0.0016	0.0023	0.0011	0.0039	0.0018
Gly-Met/Met-Gly	0.0002	0.0001	0.0005	0.0001	0.0002	0.0003	0.0004	0.0002	0.0006	0.0002	0.0002		0.0004	0.0004	0.0004	0.0003	0.0008	0.0002	0.0002	0.0003	0.0004	0.0003	0.0005	0.0004
Gly-Thr/Ser-Ala	0.0004	0.0005	0.0011	0.0003	0.0005	0.0009	0.0014	0.0004	0.0022	0.0004	0.0003	0.0004	0.0009	0.0025	0.0009	0.0010	0.0029	0.0005	0.0008	0.0010	0.0014	0.0006	0.0021	0.0010
Gly-Val	0.0003	0.0002	0.0007	0.0001	0.0002	0.0002	0.0005	0.0002	0.0004	0.0002	0.0003	0.0002	0.0004	0.0026	0.0003	0.0008	0.0007	0.0004	0.0003	0.0003	0.0004	0.0002	0.0007	0.0003
Guanidinosuccinic acid	0.0002	0.0000	0.0001	0.0002	0.0015	0.0001	0.0082	0.0034	0.0069	0.0073	0.0059	0.0003	0.0006	0.0006	0.0001		0.0014	0.0001	0.0011	0.0019	0.0024	0.0025	0.0014	0.0062
Guanidoacetic acid	0.0020	0.0007	0.0034	0.0004	0.0003	0.0051	0.0014	0.0008	0.0025	0.0016	0.0004	0.0008	0.0013	0.0029	0.0004	0.0017	0.0141	0.0017	0.0006	0.0015	0.0008	0.0004	0.0019	0.0017
Guanine	0.0002	0.0002	0.0019	0.0003	0.0004	0.0002	0.0004	0.0003	0.0003	0.0002	0.0004	0.0002	0.0005	0.0010	0.0029	0.0007	0.0006	0.0002	0.0001	0.0002	0.0002	0.0002	0.0002	0.0004
Guanosine	0.0021	0.0090	0.0157	0.0070	0.0174	0.0019	0.0036	0.0036	0.0133	0.0031	0.0038	0.0020	0.0054	0.0051	0.0167	0.0105	0.0054	0.0014	0.0008	0.0021	0.0064	0.0024	0.0043	0.0026
His	0.0258	0.0175	0.0529	0.0839	0.1045	0.0669	0.0967	0.1014	0.0771	0.0839	0.0849	0.0443	0.0521	0.0722	0.0619	0.0348	0.0805	0.0515	0.0797	0.0548	0.0465	0.0705	0.0968	0.0930
Histamine	0.0008	0.0027	0.0012	0.0005	0.0001	0.0006	0.0048	0.0038	0.0028	0.0010	0.0025	0.0020	0.0091	0.0235	0.0004	0.0034	0.0041	0.0002	0.0002	0.0019	0.0051	0.0004	0.0040	0.0011
His-Thr/Thr-His	0.0003	0.0001	0.0003	0.0003	0.0001	0.0005	0.0007	0.0002	0.0006	0.0003	0.0002	0.0002	0.0003	0.0003	0.0002	0.0001	0.0006	0.0001	0.0002	0.0005	0.0003	0.0002	0.0010	0.0005
Homoserine	0.0006	0.0002	0.0006	0.0005	0.0003	0.0003	0.0003	0.0002	0.0001	0.0002	0.0002	0.0004	0.0001		0.0003	0.0003	0.0004	0.0003	0.0001		0.0001	0.0002		0.0002
Homoserinelactone	0.0016	0.0001	0.0006	0.0009	0.0005	0.0008	0.0002	0.0004		0.0002			0.0002		0.0001		0.0004	0.0003	0.0002	0.0002				0.0001
Homospermidine/ Aminopropylcadaverine/	0.0000		0.0000	0.0000	0.0005	0.0001	0.0010	0.0003	0.0010	0.0003	0.0002	0.0004	0.0001	0.0001	0.0000	0.0002	0.0002	0.0002	0.0004	0.0008	0.0001	0.0002	0.0038	0.0005
Hordenine		0.0003		0.0001	0.0006			0.0015			0.0011		0.0015	0.0020		0.0011	0.0012			0.0025	0.0013		0.0060	0.0010
Hydroxyproline	0.0027	0.0025	0.0136	0.0015	0.0058	0.0020	0.0039	0.0030	0.0026	0.0019	0.0026	0.0015	0.0094	0.0041	0.0087	0.0056	0.0091	0.0052	0.0016	0.0051	0.0026	0.0027	0.0036	0.0029
Hypotaurine	0.0038	0.0031	0.0132	0.0022	0.0020	0.0022	0.0080	0.0032	0.0036	0.0044	0.0044	0.0020	0.0151	0.0128	0.0073	0.0096	0.0133	0.0161	0.0020	0.0033	0.0051	0.0027	0.0051	0.0045
Hypoxanthine	0.0314	0.0243	0.1755	0.0337	0.0348	0.0733	0.0728	0.0125	0.1565	0.0149	0.0305	0.0570	0.0491	0.1587	0.2156	0.0390	0.1547	0.0989	0.0488	0.0211	0.0584	0.0148	0.0688	0.0396
Ile	0.0757	0.0695	0.1232	0.0835	0.0618	0.0934	0.0811	0.0893	0.0896	0.0847	0.0673	0.0807	0.0689	0.2391	0.1013	0.1125	0.1615	0.0977	0.0472	0.0424	0.0502	0.0888	0.1011	0.0928
Ile-Ala/Leu-Ala	0.0021	0.0050	0.0047	0.0013	0.0028	0.0034	0.0083	0.0015	0.0077	0.0021	0.0018	0.0012	0.0065	0.0198	0.0058	0.0092	0.0194	0.0032	0.0038	0.0054	0.0076	0.0026	0.0134	0.0057
Ile-Arg_divalent	0.0005	0.0006	0.0015	0.0004	0.0014	0.0014	0.0022	0.0010	0.0035	0.0008	0.0007	0.0004	0.0016	0.0022	0.0009	0.0014	0.0036	0.0004	0.0010	0.0015	0.0023	0.0010	0.0040	0.0017
Ile-Asp/Leu-Asp	0.0003	0.0002	0.0007	0.0002	0.0003	0.0003	0.0010	0.0002	0.0014	0.0003	0.0003	0.0002	0.0005	0.0017	0.0008	0.0010	0.0015	0.0007	0.0008	0.0008	0.0006	0.0004	0.0023	0.0007
Ile-Gln/Leu-Gln	0.0004	0.0011	0.0015	0.0003	0.0009	0.0012	0.0021	0.0006	0.0026	0.0008	0.0006	0.0003	0.0018	0.0031	0.0015	0.0019	0.0040	0.0004	0.0009	0.0014	0.0022	0.0007	0.0037	0.0017
Ile-Lys/Lys-Ile/Lys-Leu/Leu-Lys	0.0004	0.0004	0.0014	0.0006	0.0012	0.0012	0.0025	0.0008	0.0030	0.0010	0.0005	0.0004	0.0013	0.0028	0.0006	0.0013	0.0030	0.0007	0.0013	0.0022	0.0020	0.0011	0.0049	0.0017
Ile-Ser/Ser-Ile/Ser-Leu/Thr-Val/Val-Thr	0.0026	0.0030	0.0075	0.0018	0.0056	0.0048	0.0101	0.0034	0.0144	0.0044	0.0036	0.0014	0.0059	0.0131	0.0052	0.0065	0.0149	0.0030	0.0062	0.0080	0.0093	0.0045	0.0155	0.0080
Ile-Thr/Thr-Ile/Thr-Leu	0.0013	0.0012	0.0028	0.0006	0.0014	0.0015	0.0031	0.0008	0.0037	0.0010	0.0008	0.0008	0.0026	0.0090	0.0030	0.0034	0.0065	0.0020	0.0023	0.0030	0.0029	0.0012	0.0069	0.0021
Ile-Val	0.0093	0.0029	0.0097	0.0052	0.0086	0.0064	0.0272	0.0027	0.0289	0.0061	0.0030	0.0040	0.0073	0.0135	0.0111	0.0065	0.0255	0.0050	0.0079	0.0154	0.0161	0.0071	0.0311	0.0191
Imidazolelactic acid	0.0001	0.0001	0.0003	0.0001	0.0002	0.0002	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001		0.0002	0.0002	0.0002	0.0002	0.0002	0.0001		0.0001		0.0001
Inosine	0.0176	0.0578	0.0833	0.0316	0.0654	0.0283	0.0753	0.0484	0.1170	0.0306	0.0425	0.0253	0.0501	0.0277	0.0260	0.0463	0.0391	0.0825	0.0762	0.0296	0.0572	0.0161	0.0800	0.0440
Isopropylamine/				0.0035					0.0030	0.0008														
Isovalerylcarnitine	0.0005	0.0002	0.0000	0.0107	0.0044	0.0015	0.0046	0.0050	0.0017	0.0032	0.0016		0.0008	0.0012	0.0002		0.0004	0.0010	0.0052	0.0024	0.0048	0.0006		0.0011
Kynurenine	0.0006	0.0005	0.0003	0.0043	0.0033	0.0011	0.0015	0.0005	0.0019	0.0006	0.0043	0.0007	0.0020	0.0180	0.0008	0.0011	0.0049	0.0007	0.0004	0.0009	0.0027	0.0009	0.0014	0.0016
Leu	0.1519	0.1475	0.2494	0.1771	0.1767	0.2300	0.2348	0.2058	0.2779	0.2093	0.1743	0.1819	0.1716	0.5518	0.2070	0.2348	0.3749	0.1890	0.1111	0.1350	0.1487	0.1983	0.3151	0.2312
Leu-His	0.0003	0.0001	0.0005	0.0002	0.0003	0.0003	0.0010	0.0001	0.0008	0.0002	0.0001	0.0001	0.0004	0.0005	0.0003	0.0004	0.0008	0.0001	0.0002	0.0006	0.0005	0.0003	0.0015	0.0004
Leu-Ile/Leu-Leu	0.0012	0.0013	0.0019	0.0007	0.0020	0.0013	0.0038	0.0006	0.0051	0.0009	0.0007	0.0012	0.0032	0.0063	0.0021	0.0031	0.0047	0.0030	0.0038	0.0047	0.0029	0.0013	0.0104	0.0027
Leu-Phe	0.0005	0.0004	0.0010	0.0008	0.0022	0.0011	0.0035	0.0008	0.0054	0.0015	0.0009	0.0003	0.0015	0.0037	0.0011	0.0014	0.0036	0.0011	0.0033	0.0043	0.0025	0.0019	0.0085	0.0037
Lidocaine	0.0001	0.0007	0.0001	0.0012	0.0004	0.0018	0.0001	0.0014	0.0001	0.0048	0.0004	0.0022	0.0017	0.0020	0.0002	0.0015	0.0028			0.0012	0.0011	0.0002	0.0033	0.0009
L-Norleucine/ 6-Aminohexanoate/ -beta-Leucine/ beta-Alaninebetaine/ N_N-Diethylglycine/	0.0011	0.0008	0.0011	0.0067	0.0010	0.0043	0.0233	0.0100	0.0210	0.0044	0.0017	0.0007	0.0012	0.0005		0.0009	0.0010	0.0057	0.0066	0.0025	0.0016	0.0006	0.0071	0.0021
Lys	0.0705	0.0499	0.1373	0.0711	0.0861	0.0805	0.0997	0.0979	0.1189	0.1060	0.0940	0.0890	0.0697	0.2525	0.1088	0.0926	0.1423	0.0541	0.0500	0.0623	0.0764	0.0788	0.1377	0.1062
Lys-Ala	0.0004	0.0004	0.0013	0.0007	0.0009	0.0019	0.0029	0.0008	0.0041	0.0012	0.0009	0.0002	0.0009	0.0018	0.0014	0.0007	0.0037	0.0003	0.0007	0.0017	0.0019	0.0014	0.0038	0.0026
Lys-Gln	0.0002	0.0002	0.0007	0.0001	0.0003	0.0005	0.0007	0.0003	0.0008	0.0003	0.0002	0.0001	0.0003	0.0006	0.0004	0.0002	0.0009	0.0001	0.0001	0.0003	0.0005	0.0003	0.0011	0.0004
Lys-Phe/Phe-Lys	0.0001	0.0001	0.0003	0.0001	0.0003	0.0002	0.0007	0.0002	0.0010	0.0002	0.0001	0.0001	0.0004	0.0007	0.0002	0.0003	0.0011	0.0001	0.0003	0.0007	0.0006	0.0003	0.0017	0.0006
Lys-Ser/Ser-Lys	0.0005	0.0007	0.0023	0.0005	0.0012	0.0023	0.0042	0.0016	0.0063	0.0015	0.0012	0.0005	0.0016	0.0020	0.0014	0.0012	0.0051	0.0006	0.0011	0.0024	0.0035	0.0018	0.0058	0.0033
Lys-Tyr/Tyr-Lys	0.0002	0.0002	0.0013	0.0002	0.0006	0.0004	0.0009	0.0002	0.0014	0.0003	0.0002	0.0001	0.0007	0.0008	0.0020	0.0004	0.0018	0.0002	0.0003	0.0005	0.0011	0.0004	0.0014	0.0007
Lys-Val	0.0001	0.0003	0.0004	0.0001	0.0003	0.0004	0.0013	0.0002	0.0013	0.0003	0.0002	0.0002	0.0007	0.0009	0.0004	0.0005	0.0015	0.0002	0.0003	0.0008	0.0008	0.0004	0.0019	0.0011
Maculosin/	0.0001	0.0000	0.0003				0.0010	0.0000	0.0006	0.0000		0.0008	0.0010	0.0006	0.0005	0.0010	0.0011			0.0013			0.0021	0.0001
Malonylcarnitine				0.0004	0.0001	0.0003	0.0003	0.0002	0.0001	0.0002	0.0001		0.0002			0.0001	0.0001	0.0002	0.0005	0.0002	0.0001	0.0001		0.0002
Melicopine/	0.0003	0.0022	0.0015	0.0011	0.0020	0.0012	0.0035	0.0022	0.0064	0.0024	0.0026	0.0015	0.0010	0.0109	0.0093	0.0015	0.0036	0.0015	0.0031	0.0027	0.0017	0.0026	0.0064	0.0035
Met	0.0091	0.0099	0.0279	0.0070	0.0099	0.0149	0.0130	0.0079	0.0259	0.0073	0.0147	0.0142	0.0126	0.0550	0.0337	0.0210	0.0359	0.0148	0.0054	0.0062	0.0129	0.0154	0.0176	0.0111
Met-Gln	0.0001	0.0001	0.0003	0.0002	0.0002	0.0003	0.0005	0.0002	0.0007	0.0002	0.0002		0.0002	0.0003	0.0002	0.0001	0.0007	0.0001	0.0002	0.0004	0.0003	0.0003	0.0007	0.0004
Methaphenilene/			0.0001	0.0001	0.0001	0.0001	0.0002	0.0004	0.0002	0.0005	0.0005						0.0001		0.0001		0.0001	0.0002		0.0002
Methionine sulfoxide	0.0003	0.0003	0.0005	0.0003	0.0002	0.0005	0.0010	0.0003	0.0006	0.0002	0.0002	0.0005	0.0003	0.0008	0.0002	0.0003	0.0006	0.0006	0.0002	0.0002	0.0002	0.0002	0.0004	0.0002
Methyldopa anhydrous/ Enicoflavine/				0.0002			0.0001	0.0003	0.0001	0.0002							0.0004	0.0005	0.0007		0.0001	0.0001		0.0005
Metronidazole			0.0002	0.0001	0.0001	0.0002	0.0002	0.0002	0.0002	0.0002	0.0003		0.0002		0.0002							0.0002		0.0002
Met-Thr	0.0000	0.0000	0.0001	0.0007	0.0001	0.0002	0.0002	0.0001	0.0002	0.0001	0.0001		0.0001	0.0002	0.0001		0.0002	0.0001	0.0001	0.0001	0.0002	0.0001	0.0003	0.0002
N1-Methyl-4-pyridone-5-carboxamide		0.0001	0.0002	0.0007	0.0008	0.0002	0.0013	0.0020	0.0021	0.0017	0.0011		0.0006				0.0005		0.0002	0.0012	0.0007	0.0009	0.0005	0.0011
N5-Ethylglutamine	0.0002	0.0001	0.0002	0.0002	0.0001	0.0002	0.0004	0.0002	0.0002	0.0002	0.0001	0.0002	0.0002		0.0004	0.0003	0.0003				0.0001	0.0001		0.0002
N6-Acetyllysine	0.0001	0.0001	0.0004	0.0002	0.0001	0.0001	0.0003	0.0001	0.0004	0.0002	0.0001	0.0002	0.0002	0.0019	0.0001	0.0003	0.0004	0.0002	0.0001		0.0001	0.0002	0.0003	0.0002
N6-Methyllysine	0.0002	0.0004	0.0005	0.0004	0.0035	0.0003	0.0004	0.0006	0.0006	0.0004	0.0027	0.0003	0.0009	0.0021	0.0008	0.0012	0.0008	0.0017	0.0035	0.0008	0.0007	0.0006	0.0012	0.0007
N8-Acetylspermidine	0.0039	0.0010	0.0045	0.0026	0.0148	0.0016	0.0034	0.0027	0.0081	0.0018	0.0021	0.0013	0.0078	0.0064	0.0007	0.0317	0.0064	0.0071	0.0013	0.0084	0.0035	0.0014	0.0120	0.0031
N-Acetyl-D-fucosamine/ N-Acetyl-D-quinovosamine/		0.0001	0.0001			0.0000	0.0005	0.0007	0.0002	0.0005	0.0004	0.0002	0.0002				0.0002	0.0002	0.0003	0.0001	0.0002	0.0003	0.0003	0.0002
N-Acetylgalactosamine	0.0009	0.0003	0.0046	0.0015	0.0028	0.0037	0.0015	0.0012	0.0065	0.0010	0.0068	0.0013	0.0010	0.0046	0.0038	0.0008	0.0079	0.0027	0.0030	0.0011	0.0016	0.0062	0.0135	0.0035
N-Acetylhistidine			0.0003	0.0001	0.0002		0.0001	0.0001	0.0001	0.0001	0.0001				0.0001		0.0001	0.0001	0.0001	0.0001		0.0001	0.0001	0.0001
N-Acetyl-L-citrulline/	0.0004	0.0004	0.0015	0.0005	0.0013	0.0011	0.0013	0.0009	0.0018	0.0008	0.0009		0.0007	0.0010	0.0012	0.0007	0.0018		0.0003	0.0009	0.0013	0.0012	0.0023	0.0013
Nagilactone C/ Vernolide/ Gibberellin A8-catabolite/	0.0001	0.0000	0.0005	0.0000	0.0002	0.0001	0.0002	0.0006	0.0003	0.0004	0.0005	0.0000	0.0001		0.0000		0.0002		0.0000		0.0001	0.0004	0.0001	0.0004
N-Ethylglycine				0.0007	0.0002	0.0005		0.0004		0.0009	0.0003		0.0003				0.0004			0.0009	0.0003		0.0022	0.0012
Neuraminic acid/ Miserotoxin/	0.0001	0.0003	0.0006	0.0002	0.0002	0.0003	0.0001	0.0002	0.0003	0.0001	0.0002	0.0002	0.0005	0.0006	0.0002	0.0003	0.0006	0.0007	0.0001	0.0001	0.0002	0.0002	0.0002	0.0001
Nicotinamide	0.0160	0.0186	0.0597	0.0151	0.0316	0.0472	0.0889	0.0656	0.0664	0.0756	0.0798	0.0542	0.0398	0.0479	0.0336	0.0147	0.0717	0.0138	0.0276	0.0299	0.0604	0.0587	0.0613	0.0675
N-Methylethanolamine phosphate/ D-1-Aminopropan-2-ol O-phosphate/ L-1-Aminopropan-2-ol O-phosphate/	0.0005	0.0001	0.0004	0.0009	0.0002	0.0004	0.0020	0.0010	0.0011	0.0006	0.0013	0.0007	0.0007	0.0003	0.0004	0.0003	0.0005	0.0047	0.0055	0.0008	0.0002	0.0004	0.0030	0.0019
NMN	0.0001	0.0002	0.0001	0.0008	0.0015	0.0006	0.0003	0.0004	0.0017	0.0004	0.0011	0.0000	0.0002		0.0009	0.0001	0.0001	0.0001	0.0002	0.0003	0.0006	0.0011	0.0005	0.0004
N_N-Dimethylglycine	0.0026	0.0006	0.0005	0.0020	0.0045	0.0049	0.0133	0.0051	0.0041	0.0052	0.0098	0.0026	0.0031	0.0023	0.0004	0.0014	0.0013	0.0020	0.0063	0.0115	0.0036	0.0030	0.0034	0.0030
Noradrenaline							0.0001	0.0001	0.0001	0.0003	0.0001						0.0001			0.0002	0.0003	0.0001	0.0006	0.0004
Norfloxacin/	0.0001	0.0000	0.0005	0.0000	0.0002	0.0001	0.0001	0.0003	0.0002	0.0002	0.0002		0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0001	0.0003	0.0001	0.0002
O-Acetylcarnitine	0.0280	0.0180	0.0126	0.0433	0.0232	0.0488	0.0512	0.0251	0.0098	0.0169	0.0361	0.0599	0.0475	0.1029	0.0242	0.0716	0.0943	0.0736	0.0568	0.0424	0.0355	0.0183	0.0548	0.0238
Octanoylcarnitine	0.0004	0.0003		0.0001	0.0001	0.0001	0.0003	0.0002		0.0002		0.0003	0.0002	0.0002	0.0004	0.0004	0.0001	0.0005	0.0004	0.0003	0.0001			0.0001
Ophthalmic acid	0.0008	0.0026	0.0031	0.0013	0.0434	0.0272	0.0136	0.0183	0.0122	0.0137	0.0043	0.0046	0.0134	0.0010	0.0030	0.0012	0.0020	0.0042	0.0200	0.0215	0.0039	0.0166	0.0109	0.0063
Ornithine	0.0468	0.0099	0.0531	0.0253	0.0218	0.0345	0.0919	0.0614	0.0675	0.0501	0.0270	0.0659	0.0448	0.0930	0.0377	0.0267	0.0891	0.0120	0.0099	0.0437	0.0344	0.0476	0.0992	0.0732
Oxotremorine/ Isoproturon/ Monoethylglycinexylidide/				0.0002	0.0001	0.0007	0.0002	0.0008	0.0001	0.0027	0.0002	0.0011	0.0009	0.0013	0.0002	0.0006	0.0018			0.0011	0.0010	0.0002	0.0024	0.0014
Pantetheine 4^-phosphate/	0.0001	0.0000	0.0001	0.0002	0.0001	0.0001	0.0005	0.0003	0.0003	0.0004	0.0002	0.0001	0.0002	0.0001	0.0001	0.0000	0.0002	0.0001	0.0001	0.0003	0.0002	0.0002	0.0005	0.0002
Phe	0.0511	0.0394	0.0827	0.0499	0.0753	0.1014	0.0865	0.0809	0.1157	0.0598	0.0630	0.0661	0.0602	0.1578	0.1024	0.0772	0.1362	0.0579	0.0340	0.0302	0.0532	0.0862	0.1102	0.0843
Phe-Arg_divalent	0.0001	0.0001	0.0003	0.0001	0.0003	0.0004	0.0007	0.0002	0.0012	0.0003	0.0002	0.0001	0.0003	0.0004	0.0002	0.0001	0.0007	0.0000	0.0003	0.0006	0.0005	0.0004	0.0013	0.0008
Phe-Asn	0.0002	0.0002	0.0008	0.0001	0.0003	0.0003	0.0003	0.0001	0.0005	0.0001	0.0001	0.0002	0.0005	0.0011	0.0004	0.0005	0.0009	0.0003	0.0003	0.0003	0.0004	0.0002	0.0006	0.0003
Phe-Gln	0.0002	0.0002	0.0009	0.0009	0.0012	0.0010	0.0015	0.0009	0.0014	0.0009	0.0007	0.0004	0.0007	0.0009	0.0007	0.0005	0.0016	0.0002	0.0003	0.0008	0.0010	0.0008	0.0019	0.0013
Phe-Thr	0.0003	0.0003	0.0005	0.0006	0.0005	0.0009	0.0026	0.0010	0.0050	0.0012	0.0009	0.0006	0.0014	0.0017	0.0005	0.0006	0.0027	0.0004	0.0019	0.0035	0.0015	0.0011	0.0068	0.0019
Phe-Val	0.0003	0.0002	0.0005	0.0003	0.0002	0.0003	0.0007	0.0001	0.0011	0.0002	0.0001	0.0003	0.0006	0.0018	0.0004	0.0006	0.0011	0.0004	0.0007	0.0007	0.0007	0.0002	0.0016	0.0005
Phosphorylcholine	0.3022	0.0904	0.3358	0.2903	0.2730	0.2283	0.1037	0.0910	0.0728	0.0559	0.1224	0.0539	0.1099	0.0684	0.0672	0.0314	0.1393	0.2967	0.2016	0.0864	0.0506	0.0264	0.0930	0.0394
Pipecolic acid	0.0004	0.0002	0.0005	0.0008	0.0012	0.0006	0.0018	0.0010	0.0009	0.0013	0.0012	0.0006	0.0013		0.0004	0.0009	0.0012	0.0010	0.0025	0.0015	0.0009	0.0013	0.0016	0.0014
Prenyl-L-cysteine/	0.0001		0.0003				0.0005		0.0003	0.0001	0.0001		0.0002				0.0002				0.0002	0.0001		0.0002
Pro	0.0950	0.0830	0.1866	0.1050	0.0848	0.0996	0.1111	0.1111	0.1072	0.1075	0.1129	0.0785	0.3105	0.2662	0.1612	0.2300	0.2195	0.1548	0.0813	0.3234	0.0824	0.1285	0.2020	0.1227
Pro-Ala	0.0001	0.0001	0.0003		0.0002	0.0002	0.0006	0.0001	0.0005	0.0001	0.0001	0.0007	0.0002	0.0013	0.0002	0.0002	0.0007	0.0102	0.0142	0.0004	0.0004	0.0002	0.0008	0.0003
Pro-Arg_divalent	0.0000	0.0000	0.0001	0.0000	0.0001	0.0001	0.0002	0.0001	0.0002	0.0000	0.0000	0.0001	0.0001	0.0002	0.0004	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0002	0.0003	0.0002
Pro-Ser		0.0001	0.0004		0.0001	0.0001	0.0004		0.0004			0.0005	0.0002				0.0004	0.0004			0.0003		0.0006	0.0002
Pro-Val	0.0002	0.0002	0.0006	0.0002	0.0005	0.0003	0.0008	0.0003	0.0014	0.0003	0.0004	0.0006	0.0003	0.0011	0.0004	0.0005	0.0008	0.0003	0.0003	0.0004	0.0006	0.0005	0.0014	0.0006
Putrescine	0.0020	0.0012	0.0213	0.0059	0.0176	0.0046	0.0142	0.0084	0.0183	0.0078	0.0069	0.0035	0.0084	0.0036	0.0008	0.0119	0.0099	0.0069	0.0046	0.0097	0.0042	0.0049	0.0244	0.0092
Pyridoxamine 5^-phosphate	0.0001	0.0000	0.0002	0.0002	0.0008	0.0004	0.0013	0.0015	0.0018	0.0010	0.0011	0.0004	0.0006	0.0001	0.0001	0.0001	0.0007	0.0003	0.0014	0.0012	0.0011	0.0010	0.0020	0.0013
(R)-1-Aminopropan-2-ol/ 1-Aminopropan-2-ol/	0.0005	0.0001	0.0003	0.0006	0.0002	0.0005	0.0021	0.0005	0.0018	0.0006	0.0008	0.0004	0.0004	0.0004	0.0001		0.0013	0.0027	0.0038	0.0006	0.0003	0.0005	0.0011	0.0016
Ranitidine															0.0009									
RU-0211/ 6alpha-Fluoro-17-hydroxypregn-4-ene-3_20-dione acetate/	0.0008	0.0001	0.0014	0.0014	0.0019	0.0009	0.0074	0.0014	0.0051	0.0037	0.0023	0.0008	0.0010	0.0004	0.0007	0.0003	0.0028	0.0001	0.0002	0.0022	0.0032	0.0019	0.0024	0.0055
Saccharopine	0.0002	0.0000	0.0003	0.0002	0.0003	0.0004	0.0024	0.0010	0.0004	0.0002	0.0003	0.0004	0.0002	0.0005	0.0001	0.0001	0.0020	0.0003	0.0007	0.0003	0.0002	0.0004	0.0003	0.0003
S-Adenosylhomocysteine	0.0006	0.0002	0.0014	0.0024	0.0011	0.0013	0.0016	0.0014	0.0027	0.0012	0.0007	0.0003	0.0008	0.0007	0.0022	0.0006	0.0015	0.0005	0.0010	0.0013	0.0008	0.0008	0.0023	0.0012
S-Adenosylmethionine	0.0105	0.0007	0.0040	0.0065	0.0034	0.0058	0.0009	0.0033	0.0005	0.0013	0.0002	0.0004	0.0012	0.0004	0.0005	0.0009	0.0027	0.0019	0.0012	0.0010	0.0002	0.0003	0.0020	0.0008
S-Allyl-L-cysteine/	0.0002		0.0013	0.0003	0.0001	0.0001	0.0009	0.0008	0.0021	0.0016	0.0005	0.0004	0.0004		0.0001	0.0001	0.0004			0.0006	0.0007	0.0003	0.0003	0.0004
Sarcosine	0.0021	0.0005	0.0003	0.0027	0.0065	0.0036	0.0037	0.0057	0.0044	0.0052	0.0044	0.0010	0.0036	0.0013	0.0008	0.0016	0.0030	0.0039	0.0061	0.0035	0.0021	0.0045	0.0074	0.0048
SDMA	0.0004	0.0001	0.0024	0.0005	0.0010	0.0005	0.0009	0.0010	0.0035	0.0009	0.0006	0.0006	0.0005	0.0006	0.0004	0.0008	0.0008	0.0005	0.0008	0.0005	0.0004	0.0006	0.0021	0.0011
Ser	0.0582	0.0213	0.1638	0.0613	0.1718	0.0191	0.0963	0.0688	0.0832	0.0632	0.0580	0.0572	0.0581	0.1242	0.0693	0.0722	0.0755	0.0603	0.0991	0.0860	0.0572	0.0224	0.0882	0.0607
Ser-Gly/Gly-Ser	0.0004	0.0006	0.0015	0.0007	0.0012	0.0015	0.0017	0.0008	0.0029	0.0009	0.0010	0.0004	0.0010	0.0017	0.0015	0.0010	0.0025	0.0004	0.0008	0.0012	0.0017	0.0012	0.0029	0.0013
Ser-His	0.0002	0.0002	0.0004	0.0001	0.0003	0.0004	0.0007	0.0002	0.0010	0.0003	0.0002	0.0001	0.0004	0.0005	0.0004	0.0003	0.0010	0.0001	0.0002	0.0005	0.0007	0.0003	0.0013	0.0006
Ser-Ser	0.0005	0.0007	0.0019	0.0004	0.0006	0.0011	0.0012	0.0006	0.0019	0.0006	0.0008	0.0003	0.0010	0.0014	0.0013	0.0012	0.0026	0.0004	0.0006	0.0010	0.0014	0.0008	0.0022	0.0011
Ser-Thr	0.0005	0.0006	0.0020	0.0005	0.0014	0.0011	0.0017	0.0008	0.0027	0.0008	0.0009	0.0003	0.0012	0.0022	0.0015	0.0013	0.0029	0.0005	0.0010	0.0013	0.0021	0.0011	0.0029	0.0015
S-Methylglutathione	0.0002	0.0000	0.0004	0.0012	0.0004	0.0007	0.0036	0.0039	0.0026	0.0031	0.0014	0.0003	0.0018	0.0001	0.0002	0.0000	0.0008	0.0005	0.0031	0.0029	0.0014	0.0012	0.0056	0.0038
Spermidine	0.0051	0.0045	0.0073	0.0027	0.0054	0.0041	0.0102	0.0033	0.0072	0.0049	0.0031	0.0064	0.0018	0.0061	0.0017	0.0018	0.0043	0.0364	0.0216	0.0083	0.0026	0.0033	0.0173	0.0047
Spermine	0.0009	0.0010	0.0005	0.0004	0.0006	0.0006	0.0015	0.0006	0.0007	0.0010	0.0006	0.0013	0.0001		0.0008		0.0005	0.0109	0.0154	0.0004	0.0004	0.0004	0.0003	0.0011
ß-Ala	0.0340	0.0103	0.0084	0.0251	0.0352	0.0142	0.0278	0.0367	0.0531	0.0416	0.0793	0.0063	0.0267	0.0123	0.0037	0.0120	0.0330	0.0285	0.0369	0.0305	0.0200	0.0549	0.0521	0.0353
Stachydrine	0.0021	0.0016	0.0053	0.0028	0.0032	0.0217	0.0058	0.0042	0.0098	0.0020	0.0031	0.0064	0.0027	0.0041	0.0028	0.0005	0.0032	0.0020	0.0031	0.0023	0.0045	0.0085	0.0009	0.0034
Taurine	0.0281	0.0411	0.0596	0.0227	0.0092	0.0143	0.0195	0.0137	0.0177	0.0113	0.0126	0.0269	0.0619	0.2352	0.0617	0.1072	0.0527	0.1243	0.0101	0.0129	0.0354	0.0086	0.0317	0.0111
Thiamine	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0005	0.0001	0.0003	0.0001	0.0001	0.0001	0.0001		0.0000		0.0002	0.0000	0.0001	0.0002	0.0002	0.0003	0.0004	0.0002
Thiaproline	0.0367	0.0456	0.0672	0.0109	0.0198	0.0251	0.1283	0.0187	0.0330	0.0199	0.0396	0.0159	0.0467	0.0442	0.0211	0.0162	0.0579	0.1042	0.0843	0.0440	0.0227	0.0221	0.0390	0.0306
Thiomorpholine 3-carboxylate/	0.0012		0.0005	0.0002	0.0016	0.0020	0.0022	0.0022	0.0017	0.0015	0.0013	0.0004	0.0007		0.0015		0.0028			0.0004	0.0019	0.0022	0.0015	0.0025
Thr	0.0440	0.0338	0.1086	0.0649	0.0862	0.0606	0.0819	0.0704	0.0865	0.0623	0.0704	0.0470	0.0862	0.1452	0.1318	0.0889	0.1328	0.0790	0.0690	0.0705	0.0594	0.0869	0.1009	0.0824
Thr-Asp/Asp-Thr/Ser-Glu	0.0001	0.0001	0.0003	0.0001	0.0001	0.0002	0.0003	0.0001	0.0003	0.0001	0.0001		0.0002	0.0004	0.0002	0.0002	0.0004	0.0001	0.0001	0.0001	0.0002	0.0001	0.0004	0.0002
Thr-Glu	0.0001	0.0001	0.0004	0.0001	0.0002	0.0003	0.0004	0.0002	0.0004	0.0002	0.0002	0.0001	0.0003	0.0008	0.0003	0.0003	0.0006	0.0002	0.0002	0.0002	0.0003	0.0003	0.0006	0.0003
Thr-Lys	0.0003	0.0005	0.0021	0.0003	0.0007	0.0009	0.0018	0.0007	0.0028	0.0007	0.0006	0.0002	0.0012	0.0026	0.0007	0.0007	0.0025	0.0003	0.0004	0.0009	0.0016	0.0009	0.0025	0.0013
Thr-Thr	0.0003	0.0003	0.0010	0.0002	0.0006	0.0004	0.0005	0.0003	0.0006	0.0003	0.0003	0.0001	0.0004	0.0009	0.0006	0.0007	0.0010	0.0002	0.0002	0.0004	0.0008	0.0003	0.0008	0.0004
Thr-Tyr/Tyr-Thr	0.0002	0.0001	0.0003	0.0001	0.0003	0.0001	0.0011	0.0002	0.0006	0.0003	0.0002	0.0001	0.0004	0.0008	0.0002	0.0003	0.0006	0.0002	0.0011	0.0009	0.0008	0.0003	0.0012	0.0004
Thymine	0.0050	0.0014	0.0016	0.0083	0.0034	0.0157	0.0212	0.0213	0.0113	0.0162	0.0097	0.0119	0.0066	0.0071	0.0027	0.0032	0.0104	0.0090	0.0346	0.0238	0.0040	0.0249	0.0424	0.0223
trans-Glutaconic acid	0.0012	0.0005	0.0009	0.0011	0.0007	0.0002	0.0006	0.0004	0.0012	0.0004			0.0004			0.0006	0.0003							
Trigonelline	0.0002	0.0001	0.0026	0.0001	0.0002	0.0003	0.0019	0.0004	0.0095	0.0007	0.0002	0.0004	0.0003			0.0003	0.0026	0.0009	0.0019	0.0004	0.0003	0.0003	0.0028	0.0054
Trimethylamine			0.0065	0.0006	0.0009	0.0007	0.0004	0.0004	0.0012	0.0008	0.0005						0.0005		0.0007					0.0004
Trimethylamine N-oxide	0.0016	0.0010	0.0078	0.0002	0.0003	0.0002	0.0019	0.0003	0.0062	0.0003	0.0004	0.0003	0.0011	0.0019	0.0006	0.0011	0.0017	0.0010	0.0004	0.0006	0.0007	0.0002	0.0008	0.0006
Trp	0.0101	0.0068	0.0091	0.0078	0.0103	0.0137	0.0091	0.0072	0.0081	0.0081	0.0065	0.0145	0.0081	0.0089	0.0194	0.0156	0.0163	0.0015	0.0005	0.0043	0.0031	0.0112	0.0148	0.0090
Tyr	0.0289	0.0248	0.0588	0.0258	0.0495	0.0332	0.0361	0.0379	0.0517	0.0393	0.0369	0.0322	0.0330	0.0892	0.0711	0.0476	0.0694	0.0291	0.0125	0.0192	0.0269	0.0389	0.0420	0.0365
Tyramine			0.0000	0.0001			0.0002		0.0001	0.0000				0.0005	0.0001	0.0002	0.0001			0.0001			0.0006	0.0001
Tyr-Arg_divalent	0.0005	0.0002	0.0006	0.0004	0.0005	0.0009	0.0044	0.0006	0.0034	0.0012	0.0006	0.0003	0.0009	0.0004	0.0014	0.0003	0.0035	0.0003	0.0005	0.0022	0.0020	0.0013	0.0044	0.0029
Tyr-Gln	0.0003	0.0004	0.0007	0.0002	0.0003	0.0004	0.0009	0.0003	0.0016	0.0004	0.0004	0.0002	0.0006	0.0014	0.0004	0.0006	0.0014	0.0002	0.0003	0.0009	0.0009	0.0005	0.0021	0.0007
Tyr-Gly	0.0001	0.0002	0.0004	0.0001	0.0002	0.0002	0.0004	0.0001	0.0006	0.0001	0.0001	0.0001	0.0003	0.0009	0.0003	0.0003	0.0006	0.0002	0.0002	0.0002	0.0004	0.0002	0.0007	0.0002
Tyr-His	0.0011	0.0002	0.0015	0.0006	0.0009	0.0012	0.0069	0.0007	0.0047	0.0024	0.0011	0.0004	0.0010	0.0002	0.0021	0.0003	0.0046	0.0002	0.0004	0.0020	0.0040	0.0025	0.0036	0.0064
Uracil	0.0013	0.0023	0.0086	0.0075	0.0041	0.0085	0.0084	0.0022	0.0081	0.0041	0.0047	0.0080	0.0026	0.0071	0.0157	0.0027	0.0107	0.0092	0.0028	0.0026	0.0034	0.0063	0.0081	0.0077
Urea	0.3041	0.2836	0.2294	0.3328	0.3494	0.2615	0.3452	0.2890	0.1981	0.3301	0.3515	0.2999	0.3010	0.3698	0.1774	0.2849	0.4732	0.1639	0.1423	0.2245	0.1821	0.2028	0.2869	0.3587
Urethane/ 2-Nitropropane/ HMMF/	0.0007	0.0007	0.0003	0.0010	0.0031	0.0011	0.0025	0.0015	0.0011	0.0018	0.0022	0.0007	0.0013	0.0016	0.0021	0.0012	0.0014	0.0014	0.0020	0.0014	0.0010	0.0011	0.0020	0.0021
Uridine	0.0024	0.0074	0.0048	0.0117	0.0054	0.0127	0.0257	0.0126	0.0251	0.0135	0.0083	0.0122	0.0063	0.0041	0.0039	0.0037	0.0052	0.0080	0.0137	0.0112	0.0071	0.0087	0.0194	0.0192
Urocanic acid	0.0004	0.0001	0.0001	0.0002	0.0001	0.0001	0.0003	0.0000	0.0001	0.0001	0.0001	0.0016	0.0006	0.0014	0.0002	0.0015	0.0001	0.0018	0.0003	0.0008	0.0002	0.0001	0.0006	0.0001
Val	0.0995	0.1061	0.1332	0.1194	0.1039	0.1189	0.1268	0.1262	0.1290	0.1267	0.1113	0.1212	0.1108	0.2744	0.1312	0.1306	0.2047	0.1272	0.0667	0.0818	0.0804	0.1064	0.1615	0.1271
Val-Arg_divalent	0.0002	0.0003	0.0007	0.0002	0.0003	0.0006	0.0008	0.0004	0.0010	0.0003	0.0003	0.0002	0.0006	0.0015	0.0005	0.0008	0.0012	0.0002	0.0003	0.0005	0.0010	0.0004	0.0013	0.0006
Val-Asp	0.0003	0.0003	0.0013	0.0002	0.0008	0.0009	0.0009	0.0004	0.0011	0.0003	0.0004	0.0001	0.0005	0.0009	0.0008	0.0008	0.0013	0.0006	0.0005	0.0005	0.0006	0.0005	0.0017	0.0006
Val-Glu	0.0002	0.0003	0.0008	0.0002	0.0008	0.0008	0.0007	0.0005	0.0012	0.0004	0.0004	0.0001	0.0006	0.0031	0.0006	0.0006	0.0013	0.0003	0.0003	0.0004	0.0007	0.0004	0.0013	0.0007
Val-Gly/N-Acetylornithine	0.0006	0.0009	0.0026	0.0004	0.0023	0.0018	0.0039	0.0016	0.0062	0.0014	0.0013	0.0004	0.0021	0.0018	0.0016	0.0019	0.0054	0.0008	0.0015	0.0016	0.0033	0.0017	0.0060	0.0026
Val-His	0.0004	0.0004	0.0006	0.0002	0.0004	0.0004	0.0012	0.0002	0.0010	0.0003	0.0002	0.0002	0.0006	0.0006	0.0004	0.0006	0.0013	0.0002	0.0002	0.0005	0.0005	0.0005	0.0016	0.0009
Val-Lys	0.0002	0.0002	0.0009	0.0003	0.0007	0.0008	0.0016	0.0007	0.0020	0.0007	0.0005	0.0002	0.0007	0.0015	0.0003	0.0005	0.0016	0.0002	0.0004	0.0009	0.0010	0.0008	0.0019	0.0014
Vulgaxanthin-II/ Psorospermin/ S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine/ Methylophiopogonone A/	0.0004	0.0000	0.0001	0.0001	0.0002	0.0014	0.0008	0.0012	0.0004	0.0004	0.0003	0.0002	0.0005	0.0001		0.0001	0.0013	0.0008	0.0004	0.0005	0.0002	0.0021	0.0011	0.0032
XC0003			0.0002	0.0002			0.0004	0.0001	0.0003	0.0002		0.0004	0.0004				0.0002	0.0020	0.0003	0.0009		0.0002	0.0004	0.0002
XC0007	0.0003	0.0005	0.0014	0.0004	0.0009	0.0011	0.0023	0.0012	0.0020	0.0012	0.0009	0.0003	0.0012	0.0035	0.0005	0.0010	0.0023	0.0004	0.0007	0.0014	0.0016	0.0010	0.0035	0.0016
XC0014	0.0007	0.0004	0.0019	0.0003	0.0011	0.0002	0.0005	0.0003	0.0003	0.0002	0.0005	0.0002	0.0006	0.0006	0.0020	0.0004	0.0005	0.0013	0.0004	0.0003	0.0002	0.0003	0.0004	0.0003
XC0016	0.0071	0.0063	0.0034	0.0306	0.0049	0.0237	0.0545	0.0431	0.0146	0.0461	0.0124	0.0112	0.0055	0.0058	0.0211	0.0167	0.0258	0.0016	0.0055	0.0103	0.0072	0.0615	0.0337	0.0457
XC0018	0.0006	0.0008	0.0039	0.0007	0.0024	0.0019	0.0036	0.0014	0.0053	0.0014	0.0011	0.0005	0.0021	0.0063	0.0010	0.0018	0.0050	0.0008	0.0016	0.0031	0.0030	0.0016	0.0073	0.0028
XC0019	0.0002	0.0002	0.0006	0.0002	0.0002	0.0002	0.0006	0.0004	0.0007	0.0004	0.0003	0.0005	0.0003	0.0004	0.0002	0.0005	0.0004	0.0003	0.0002	0.0003	0.0003	0.0003	0.0004	0.0004
XC0023	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0002	0.0002	0.0004	0.0001	0.0002		0.0002				0.0002		0.0001	0.0002	0.0001			0.0003
XC0025	0.0003	0.0002	0.0008	0.0003	0.0001	0.0001	0.0005	0.0002	0.0005	0.0003	0.0005	0.0008	0.0004	0.0006	0.0001	0.0001	0.0003	0.0001	0.0001	0.0003	0.0003	0.0002	0.0002	0.0003
XC0026	0.0001	0.0001	0.0005	0.0001	0.0003	0.0004	0.0006	0.0004	0.0010	0.0002	0.0001	0.0001	0.0004	0.0019	0.0002	0.0005	0.0010	0.0003	0.0002	0.0005	0.0005	0.0003	0.0013	0.0004
XC0029			0.0001	0.0001	0.0010	0.0002	0.0002	0.0003	0.0002	0.0001	0.0012		0.0003				0.0004		0.0004	0.0004	0.0002	0.0003	0.0008	0.0004
XC0030	0.0001	0.0001	0.0002	0.0002	0.0001	0.0002	0.0002	0.0002	0.0003	0.0002	0.0003	0.0001	0.0002	0.0001	0.0001	0.0003	0.0002	0.0002	0.0001	0.0001	0.0001	0.0001	0.0002	0.0002
XC0032	0.0032		0.0064	0.0098	0.0011	0.0010	0.0112	0.0041	0.0168	0.0144	0.0029	0.0021	0.0031	0.0009	0.0010	0.0010	0.0070			0.0020	0.0025	0.0033	0.0017	0.0151
XC0033	0.0003	0.0003	0.0016	0.0002	0.0004	0.0004	0.0019	0.0008	0.0007	0.0007	0.0003	0.0005	0.0007		0.0004	0.0013	0.0007	0.0009	0.0015	0.0007	0.0004	0.0004	0.0021	0.0006
XC0041				0.0003	0.0003		0.0020	0.0010	0.0007	0.0010	0.0004		0.0006	0.0023			0.0015				0.0006	0.0003	0.0011	0.0006
XC0044	0.0002	0.0001		0.0002	0.0003	0.0004	0.0001	0.0001		0.0001		0.0001	0.0002		0.0003		0.0002	0.0002	0.0001		0.0001	0.0001		
XC0046	0.0004	0.0004	0.0007	0.0007	0.0005	0.0009	0.0012	0.0013	0.0017	0.0012	0.0011	0.0007	0.0007	0.0007	0.0004	0.0009	0.0009	0.0002		0.0006	0.0009	0.0008	0.0013	0.0011
XC0047	0.0003	0.0001	0.0011	0.0014	0.0001	0.0017	0.0002	0.0001	0.0006	0.0001	0.0001	0.0003	0.0002	0.0003	0.0003	0.0003	0.0004	0.0002			0.0001	0.0002	0.0002	0.0001
XC0049	0.0002	0.0001	0.0015	0.0027	0.0004	0.0019	0.0012	0.0014	0.0020	0.0013	0.0016	0.0004	0.0005		0.0001	0.0001	0.0009	0.0006	0.0012	0.0006	0.0007	0.0013	0.0008	0.0012
XC0052			0.0001	0.0001	0.0001		0.0007	0.0006	0.0005	0.0005	0.0004	0.0001	0.0002				0.0001		0.0005	0.0005	0.0003	0.0002	0.0005	0.0006
XC0054				0.0001		0.0001	0.0002	0.0003	0.0004	0.0002	0.0001		0.0001		0.0001	0.0001	0.0002			0.0001	0.0001		0.0003	0.0002
XC0055	0.0004	0.0002	0.0008	0.0007	0.0002	0.0001	0.0017	0.0005	0.0009	0.0006	0.0011	0.0016	0.0009	0.0008	0.0001	0.0002	0.0008	0.0002		0.0005	0.0008	0.0005	0.0005	0.0009
XC0061	0.0026	0.0016	0.0007	0.0629	0.1844	0.0283	0.0792	0.0870	0.0084	0.0447	0.0244	0.0041	0.0196	0.0128	0.0010		0.0291	0.0074	0.0349	0.0682	0.0484	0.0191	0.0237	0.0766
XC0062	0.0001	0.0002	0.0002	0.0002	0.0001		0.0015	0.0011	0.0015	0.0014	0.0009	0.0008	0.0015	0.0008	0.0001	0.0005	0.0010	0.0006	0.0004	0.0013	0.0008	0.0009	0.0005	0.0012
XC0063	0.0001	0.0001	0.0002	0.0003	0.0003	0.0007	0.0002	0.0002	0.0002	0.0002	0.0003		0.0001		0.0002		0.0001		0.0001			0.0002		0.0001
XC0064	0.0001	0.0002	0.0003	0.0008	0.0002	0.0006	0.0005	0.0006	0.0008	0.0006	0.0005	0.0003	0.0003		0.0001	0.0003	0.0004	0.0004	0.0004	0.0003	0.0004	0.0004	0.0007	0.0005
XC0067	0.0001			0.0003		0.0006	0.0009	0.0007	0.0008	0.0004	0.0005	0.0003	0.0002				0.0005	0.0003	0.0002	0.0002	0.0002	0.0008		0.0005
XC0071	0.0001	0.0000	0.0001	0.0000	0.0002	0.0000	0.0004	0.0002	0.0006	0.0002	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0000	0.0002	0.0004	0.0001	0.0002	0.0004	0.0003
XC0073	0.0002	0.0001	0.0005	0.0003	0.0002	0.0001	0.0007	0.0004	0.0006	0.0004	0.0005	0.0005	0.0004	0.0004	0.0001	0.0002	0.0003	0.0002	0.0003	0.0004	0.0004	0.0002	0.0004	0.0004
XC0075	0.0003	0.0003	0.0009	0.0004	0.0008	0.0008	0.0008	0.0013	0.0006	0.0006	0.0006	0.0004	0.0005	0.0031	0.0004	0.0004	0.0019	0.0015	0.0004	0.0003	0.0004	0.0009	0.0006	0.0012
XC0080	0.0001	0.0001	0.0004	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0001	0.0002	0.0003	0.0001				0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001
XC0082		0.0001	0.0001	0.0002	0.0001	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002		0.0001				0.0001				0.0001	0.0001		0.0002
XC0083	0.0024	0.0023	0.0009	0.0011	0.0017	0.0040	0.0063	0.0029	0.0016	0.0021	0.0008	0.0021	0.0035	0.0144	0.0004	0.0038	0.0177	0.0050	0.0057	0.0015	0.0017	0.0009	0.0040	0.0026
XC0084	0.0001	0.0001	0.0002	0.0002	0.0002	0.0002	0.0003	0.0004	0.0004	0.0004	0.0003	0.0002	0.0002	0.0001	0.0002	0.0002	0.0003	0.0002	0.0002	0.0002	0.0002	0.0002	0.0004	0.0003
XC0085	0.0001	0.0001	0.0004	0.0002	0.0002	0.0002	0.0002	0.0001	0.0002	0.0001	0.0001	0.0002	0.0002	0.0001	0.0000		0.0002	0.0001	0.0001	0.0002	0.0001	0.0002	0.0001	0.0001
XC0086	0.0001	0.0001	0.0003	0.0021	0.0002	0.0002	0.0009	0.0002	0.0002	0.0004	0.0005	0.0001	0.0002	0.0002	0.0033	0.0001	0.0003	0.0000	0.0001	0.0004	0.0003	0.0003	0.0007	0.0005
XC0089	0.0000	0.0001	0.0004	0.0003	0.0010	0.0005	0.0003	0.0001	0.0006	0.0001	0.0021	0.0014	0.0002		0.0012	0.0002	0.0002	0.0001	0.0001	0.0003	0.0020	0.0009	0.0002	0.0003
XC0096	0.0003	0.0001	0.0009	0.0004	0.0002	0.0002	0.0005	0.0002	0.0003	0.0002	0.0003	0.0007	0.0003	0.0003	0.0001		0.0003	0.0002	0.0001	0.0002	0.0002	0.0002	0.0003	0.0002
XC0097	0.0004	0.0002	0.0026	0.0005	0.0004	0.0004	0.0006	0.0007	0.0008	0.0005	0.0008	0.0004	0.0004	0.0006	0.0002	0.0003	0.0006	0.0002	0.0002	0.0002	0.0005	0.0004	0.0005	0.0005
XC0098	0.0001	0.0001	0.0003	0.0003	0.0030	0.0019	0.0006	0.0028	0.0002	0.0015	0.0005	0.0003	0.0008				0.0014	0.0005	0.0018	0.0016	0.0005	0.0017	0.0018	0.0025
XC0101	0.0001	0.0001	0.0001	0.0006	0.0017	0.0008	0.0007	0.0011	0.0002	0.0007	0.0004	0.0001	0.0003	0.0004	0.0011	0.0004	0.0004	0.0002	0.0010	0.0007	0.0005	0.0004	0.0009	0.0008
XC0102	0.0001	0.0001	0.0004	0.0002	0.0002	0.0002	0.0004	0.0004	0.0004	0.0004	0.0004	0.0003	0.0003	0.0003	0.0002	0.0003	0.0003	0.0003	0.0002	0.0001	0.0002	0.0003	0.0003	0.0003
XC0106	0.0000	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0002	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001
XC0107	0.0007	0.0007	0.0024	0.0025	0.0014	0.0006	0.0102	0.0065	0.0075	0.0052	0.0050	0.0085	0.0077	0.0041	0.0002	0.0025	0.0044	0.0010	0.0006	0.0047	0.0056	0.0029	0.0058	0.0056
XC0108	0.0001		0.0001	0.0021	0.0011	0.0011	0.0016	0.0010	0.0006	0.0007	0.0006	0.0002	0.0003				0.0003	0.0002	0.0007	0.0004	0.0005	0.0005	0.0004	0.0008
XC0109	0.0002	0.0007	0.0007	0.0008	0.0003	0.0001	0.0036	0.0026	0.0027	0.0018	0.0019	0.0045	0.0045	0.0024	0.0003	0.0008	0.0015	0.0034	0.0006	0.0017	0.0018	0.0007	0.0007	0.0013
XC0110	0.0007	0.0007	0.0026	0.0012	0.0001	0.0001	0.0026	0.0031	0.0019	0.0035	0.0027	0.0018	0.0022	0.0013	0.0025	0.0011	0.0008	0.0001	0.0003	0.0006	0.0018	0.0011	0.0003	0.0020
XC0112	0.0001			0.0002		0.0004	0.0004	0.0008	0.0002	0.0003	0.0001	0.0001	0.0001				0.0003	0.0000		0.0001	0.0000	0.0003	0.0003	0.0004
XC0113	0.0002	0.0001	0.0003	0.0001	0.0001	0.0001	0.0002	0.0003	0.0002	0.0001	0.0002	0.0001	0.0004	0.0002	0.0002	0.0002	0.0003	0.0005	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001
XC0114	0.0001	0.0000	0.0004	0.0002	0.0002	0.0001	0.0003	0.0002	0.0002	0.0002	0.0004	0.0002	0.0001	0.0001	0.0000		0.0002	0.0001	0.0000	0.0002	0.0001	0.0002	0.0001	0.0002
XC0115	0.0000	0.0000	0.0002	0.0001	0.0003	0.0003	0.0010	0.0011	0.0004	0.0011	0.0004	0.0000	0.0004	0.0004	0.0009	0.0000	0.0004			0.0004	0.0001	0.0003	0.0001	0.0004
XC0116	0.0002	0.0000	0.0001	0.0063	0.0007	0.0013	0.0043	0.0021	0.0038	0.0017	0.0018	0.0011	0.0011	0.0005	0.0000	0.0001	0.0012	0.0014	0.0027	0.0014	0.0030	0.0018	0.0046	0.0044
XC0117	0.0001	0.0000	0.0000	0.0003	0.0000	0.0007	0.0006	0.0012	0.0003	0.0004	0.0002	0.0002	0.0001		0.0000		0.0005		0.0001	0.0001	0.0001	0.0005	0.0004	0.0008
XC0121	0.0001	0.0000	0.0002	0.0001	0.0004	0.0001	0.0003	0.0003	0.0006	0.0003	0.0002	0.0001	0.0002	0.0003	0.0003	0.0002	0.0004			0.0002	0.0001	0.0002	0.0003	0.0002
XC0123				0.0001				0.0005		0.0003					0.0002									
XC0125	0.0000		0.0000	0.0008	0.0002	0.0010	0.0011	0.0025	0.0005	0.0008	0.0005	0.0002	0.0001		0.0000	0.0000	0.0003		0.0001	0.0002	0.0001	0.0011	0.0006	0.0017
XC0126	0.0002	0.0000	0.0010	0.0007	0.0002	0.0009	0.0015	0.0026	0.0009	0.0009	0.0007	0.0005	0.0003	0.0001	0.0001	0.0001	0.0007	0.0005	0.0006	0.0003	0.0003	0.0010	0.0008	0.0013
XC0132	0.0002	0.0006	0.0008	0.0002	0.0005	0.0004	0.0007	0.0008	0.0009	0.0007	0.0008	0.0006	0.0009	0.0017	0.0003	0.0010	0.0017	0.0010	0.0006	0.0003	0.0009	0.0005	0.0010	0.0006
XC0136	0.0000	0.0000	0.0000	0.0001	0.0005	0.0004	0.0014	0.0012	0.0007	0.0008	0.0004	0.0000	0.0004	0.0002	0.0029	0.0001	0.0003	0.2516	0.2306	0.0012	0.0001	0.0003	0.0033	0.0006
XC0138	0.0002	0.0005	0.0009	0.0001	0.0003	0.0002	0.0005	0.0006	0.0008	0.0004	0.0005	0.0004	0.0006	0.0012	0.0003	0.0016	0.0008	0.0004	0.0001	0.0003	0.0005	0.0005	0.0006	0.0005
XC0139	0.0002	0.0001	0.0008	0.0002	0.0017	0.0003	0.0028	0.0027	0.0014	0.0020	0.0018	0.0003	0.0010	0.0004	0.0006	0.0001	0.0015	0.0004	0.0009	0.0009	0.0014	0.0033	0.0026	0.0024
XC0140	0.0001	0.0000	0.0005	0.0008	0.0002	0.0005	0.0011	0.0029	0.0006	0.0014	0.0007	0.0002	0.0003	0.0001	0.0001	0.0000	0.0003	0.0000	0.0002	0.0002	0.0004	0.0007	0.0002	0.0010
XC0141	0.0002	0.0001	0.0009	0.0008	0.0007	0.0003	0.0005	0.0006	0.0009	0.0007	0.0006	0.0001	0.0002	0.0002	0.0002	0.0001	0.0003	0.0003	0.0004	0.0002	0.0003	0.0004	0.0006	0.0005
XC0143			0.0000		0.0001	0.0002	0.0003	0.0009	0.0001	0.0001	0.0002		0.0000	0.0000	0.0000	0.0000	0.0002	0.0001	0.0001	0.0002		0.0005	0.0008	0.0007
90.037m/z	N.D.	N.D.	2.40E-04	N.D.	5.80E-05	1.50E-04	4.40E-04	9.80E-05	1.90E-04	1.00E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.00E-04	1.90E-04	4.00E-04	2.60E-04	N.D.	1.80E-04	1.20E-03	3.10E-04
107.107m/z	N.D.	N.D.	N.D.	N.D.	N.D.	6.60E-05	1.50E-04	4.60E-05	2.00E-04	1.30E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.80E-04	N.D.	N.D.	N.D.	2.20E-04
122.587m/z	5.90E-05	8.20E-05	3.40E-04	5.80E-05	2.60E-04	2.70E-04	7.00E-04	1.40E-04	4.80E-04	1.20E-04	1.70E-04	1.70E-04	2.60E-04	8.50E-04	1.40E-04	2.80E-04	4.30E-04	8.90E-05	5.60E-05	4.20E-04	3.80E-04	4.00E-04	8.40E-04	3.20E-04
129.065m/z	1.20E-04	N.D.	N.D.	1.90E-04	1.10E-04	3.30E-04	7.00E-04	3.30E-04	2.00E-04	2.20E-04	1.10E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.40E-04	3.30E-04	N.D.	2.80E-04
130.086m/z	1.10E-03	1.20E-03	N.D.	4.00E-04	8.30E-04	5.50E-04	1.80E-03	1.40E-03	N.D.	4.00E-04	9.00E-04	5.20E-04	7.60E-04	N.D.	7.10E-04	8.10E-04	1.10E-03	N.D.	5.50E-04	N.D.	9.40E-04	7.20E-04	N.D.	6.60E-04
136.532m/z	4.20E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.80E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.10E-04	N.D.	4.70E-04	2.60E-04	N.D.	N.D.	N.D.	N.D.
142.589m/z	1.30E-04	N.D.	2.90E-04	1.90E-04	2.40E-04	6.70E-04	1.80E-03	3.10E-04	2.50E-03	4.30E-04	3.80E-04	1.20E-04	2.80E-04	4.80E-04	2.10E-04	2.50E-04	1.10E-03	N.D.	3.40E-04	7.10E-04	7.50E-04	4.70E-04	1.80E-03	1.10E-03
152.11m/z	7.40E-05	1.60E-04	2.90E-04	1.10E-04	3.30E-04	4.50E-04	9.60E-04	2.70E-04	1.20E-03	2.70E-04	2.20E-04	N.D.	3.80E-04	7.90E-04	1.50E-04	3.60E-04	1.30E-03	1.40E-04	1.40E-04	6.30E-04	6.30E-04	3.70E-04	2.00E-03	7.50E-04
160.133m/z	1.80E-03	1.20E-03	2.40E-03	1.70E-03	1.80E-03	2.30E-03	2.50E-03	1.60E-03	8.70E-04	1.50E-03	6.10E-04	1.10E-03	1.50E-03	3.60E-03	1.20E-03	7.10E-04	4.40E-03	4.10E-03	1.90E-03	7.90E-04	1.30E-03	1.30E-03	6.50E-04	1.60E-03
160.133m/z_2	N.D.	N.D.	N.D.	9.10E-04	N.D.	N.D.	N.D.	2.80E-05	5.10E-03	1.60E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
161.128m/z	N.D.	3.50E-05	2.30E-04	1.30E-04	4.90E-04	1.70E-04	3.40E-04	2.70E-04	8.00E-04	1.90E-04	3.10E-04	1.50E-04	2.40E-04	N.D.	1.30E-04	6.80E-04	2.10E-04	2.50E-04	3.20E-04	3.10E-04	1.80E-04	2.10E-04	8.20E-04	2.40E-04
162.112m/z	1.90E-03	8.00E-04	3.10E-04	2.20E-03	2.90E-03	2.50E-03	1.70E-03	1.70E-03	3.60E-04	8.60E-04	9.70E-04	7.50E-04	1.90E-03	2.20E-03	1.30E-03	1.10E-03	2.20E-03	3.30E-03	2.90E-03	1.30E-03	1.40E-03	1.10E-03	1.80E-03	1.90E-03
162.123m/z	N.D.	7.80E-05	N.D.	2.50E-04	N.D.	N.D.	N.D.	N.D.	N.D.	7.10E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
165.032m/z	N.D.	N.D.	1.40E-04	N.D.	1.50E-04	1.10E-04	2.60E-04	1.10E-04	1.70E-04	5.90E-05	1.00E-04	N.D.	N.D.	8.50E-04	7.50E-05	2.30E-04	1.10E-03	N.D.	N.D.	1.10E-03	N.D.	2.20E-04	1.60E-03	5.40E-04
166.085m/z	N.D.	3.20E-05	N.D.	2.30E-04	1.10E-04	N.D.	N.D.	N.D.	N.D.	2.60E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.50E-04	N.D.	N.D.	N.D.	N.D.	N.D.
166.121m/z	5.30E-05	N.D.	2.00E-04	1.30E-04	1.50E-04	1.90E-04	3.70E-04	1.60E-04	3.60E-04	2.00E-04	1.60E-04	N.D.	1.90E-04	7.10E-04	8.40E-05	N.D.	3.50E-04	N.D.	2.00E-04	2.40E-04	2.40E-04	N.D.	5.70E-04	3.40E-04
167.109m/z	N.D.	N.D.	N.D.	1.30E-04	7.40E-04	2.30E-04	1.00E-03	4.40E-04	1.80E-03	5.30E-04	4.70E-04	N.D.	2.70E-04	N.D.	N.D.	N.D.	7.20E-04	N.D.	2.90E-04	4.20E-04	7.30E-04	4.90E-04	1.70E-03	8.80E-04
174.115m/z	N.D.	1.50E-04	3.30E-04	2.10E-04	3.00E-04	3.00E-04	5.90E-04	3.10E-04	7.90E-04	3.20E-04	3.40E-04	N.D.	3.20E-04	2.30E-03	2.20E-04	4.00E-04	7.40E-04	N.D.	2.20E-04	4.00E-04	5.30E-04	3.00E-04	9.10E-04	4.50E-04
176.102m/z	N.D.	N.D.	1.30E-04	9.90E-04	6.00E-04	1.00E-03	7.40E-04	4.10E-04	1.90E-04	3.60E-04	3.80E-04	1.70E-04	1.50E-04	N.D.	N.D.	N.D.	2.50E-04	N.D.	N.D.	1.90E-04	N.D.	1.90E-04	N.D.	6.10E-04
176.127m/z	3.10E-04	1.60E-04	1.70E-04	5.50E-04	6.50E-04	5.70E-04	1.00E-03	8.00E-04	2.40E-04	3.60E-04	4.60E-04	2.40E-04	5.40E-04	5.40E-04	2.20E-04	3.20E-04	4.80E-04	6.40E-04	9.60E-04	4.60E-04	3.30E-04	3.60E-04	6.30E-04	4.60E-04
176.128m/z	1.40E-04	7.40E-05	4.60E-05	3.80E-04	3.60E-04	2.40E-04	2.80E-04	2.70E-04	N.D.	1.80E-04	2.60E-04	N.D.	2.70E-04	N.D.	9.70E-05	N.D.	2.60E-04	2.40E-04	2.40E-04	2.10E-04	1.70E-04	1.80E-04	1.70E-04	2.70E-04
180.136m/z	2.70E-04	1.70E-04	1.00E-03	2.90E-04	3.20E-04	3.90E-04	4.00E-04	2.40E-04	3.90E-04	2.30E-04	2.40E-04	8.20E-05	4.10E-04	7.50E-04	6.60E-04	2.30E-04	6.30E-04	1.30E-04	1.10E-04	2.10E-04	3.20E-04	2.20E-04	5.70E-04	2.90E-04
184.618m/z	2.60E-03	3.20E-04	4.80E-03	1.60E-03	1.50E-03	3.10E-03	1.00E-02	8.60E-04	2.60E-03	2.50E-03	7.40E-04	6.30E-04	1.60E-03	1.90E-03	6.60E-03	1.40E-03	7.50E-03	2.20E-03	1.60E-03	3.30E-03	4.30E-03	2.20E-03	5.20E-03	6.00E-03
186.059m/z	8.10E-05	1.20E-05	5.60E-04	5.90E-04	4.70E-05	7.00E-05	9.20E-04	5.30E-05	1.40E-04	1.90E-04	3.40E-04	2.90E-04	1.60E-04	2.60E-04	7.70E-04	N.D.	3.50E-04	1.20E-04	7.50E-05	5.60E-04	4.20E-04	5.10E-04	2.20E-04	3.90E-04
191.048m/z	2.60E-02	2.10E-02	3.40E-02	1.40E-03	3.80E-03	1.60E-03	3.80E-02	1.20E-03	7.20E-03	2.00E-03	1.10E-03	1.60E-03	1.50E-02	3.60E-03	4.70E-04	7.30E-03	1.20E-02	8.60E-02	3.30E-02	1.10E-02	2.40E-03	2.10E-03	1.50E-02	4.10E-03
192.053m/z	1.90E-03	1.30E-03	3.40E-03	1.10E-04	5.20E-04	9.10E-04	2.80E-03	4.00E-04	7.50E-04	5.00E-04	3.80E-04	2.20E-04	1.10E-03	3.90E-04	1.10E-04	6.50E-04	1.40E-03	5.10E-03	2.30E-03	1.10E-03	3.90E-04	1.10E-03	2.00E-03	2.00E-03
196.116m/z	N.D.	N.D.	N.D.	N.D.	7.30E-04	N.D.	N.D.	N.D.	N.D.	2.60E-03	1.30E-03	N.D.	1.70E-04	3.90E-04	N.D.	N.D.	N.D.	N.D.	N.D.	2.10E-04	5.50E-04	N.D.	N.D.	N.D.
AL(9.99);	3.40E-04	7.20E-05	4.20E-04	N.D.	1.20E-04	8.60E-05	1.80E-03	2.90E-04	1.00E-03	2.60E-04	3.90E-04	2.40E-04	3.70E-04	3.70E-04	9.10E-05	4.50E-03	3.00E-04	1.60E-04	9.80E-05	3.80E-04	2.70E-04	4.30E-04	1.90E-03	4.30E-04
204.096m/z	1.50E-04	3.20E-04	8.70E-04	1.60E-04	4.50E-04	4.80E-04	9.70E-04	1.60E-04	1.30E-03	2.10E-04	2.10E-04	N.D.	7.00E-04	7.50E-04	6.50E-04	6.60E-04	1.80E-03	N.D.	N.D.	6.00E-04	7.40E-04	3.60E-04	1.50E-03	5.70E-04
204.105m/z	1.50E-04	N.D.	6.10E-04	9.80E-05	N.D.	5.10E-05	6.10E-04	2.50E-04	7.20E-04	4.50E-04	1.40E-04	4.20E-04	3.90E-04	N.D.	2.00E-04	1.50E-04	6.20E-04	N.D.	N.D.	3.50E-04	2.30E-04	1.60E-04	N.D.	2.70E-04
205.1m/z	2.30E-04	4.00E-05	1.10E-03	2.70E-03	N.D.	1.20E-04	2.00E-04	2.60E-04	3.20E-03	6.50E-04	6.50E-04	5.30E-05	N.D.	N.D.	N.D.	N.D.	1.10E-04	N.D.	1.00E-04	N.D.	3.40E-04	1.70E-04	8.90E-05	1.20E-04
205.115m/z	4.20E-04	3.90E-04	1.30E-03	4.00E-04	7.30E-04	8.80E-04	1.20E-03	6.50E-04	1.10E-03	8.10E-04	7.40E-04	4.10E-04	8.30E-04	3.00E-03	1.10E-03	1.00E-03	2.50E-03	6.90E-04	8.40E-04	9.20E-04	1.40E-03	7.50E-04	1.80E-03	1.30E-03
206.047m/z	7.90E-04	1.50E-04	4.20E-04	3.80E-04	2.90E-05	5.00E-05	6.00E-04	5.40E-04	7.80E-04	4.30E-04	6.60E-05	1.40E-04	2.80E-04	5.60E-04	8.30E-05	2.40E-04	4.10E-04	N.D.	N.D.	1.80E-04	8.80E-05	6.60E-05	2.00E-04	1.40E-04
212.117m/z	N.D.	N.D.	N.D.	N.D.	2.80E-04	N.D.	N.D.	N.D.	N.D.	4.90E-03	5.00E-04	N.D.	1.80E-03	N.D.	7.70E-05	N.D.	N.D.	N.D.	N.D.	9.30E-03	N.D.	1.90E-04	N.D.	1.10E-04
223.634m/z	1.40E-04	N.D.	1.20E-04	1.20E-04	6.20E-05	8.20E-05	3.20E-04	9.10E-05	7.40E-05	2.10E-04	2.60E-04	N.D.	5.80E-05	N.D.	N.D.	N.D.	1.20E-04	N.D.	N.D.	N.D.	1.50E-04	2.20E-04	N.D.	2.30E-04
LT(5.36);	4.00E-05	N.D.	N.D.	4.30E-04	4.70E-04	8.00E-04	1.10E-03	7.70E-04	1.40E-03	6.20E-04	8.70E-04	5.60E-04	4.90E-04	N.D.	N.D.	N.D.	4.00E-04	2.10E-04	8.30E-04	6.90E-04	6.20E-04	2.60E-04	1.60E-03	1.00E-03
238.037m/z	1.70E-04	5.80E-05	2.80E-03	8.10E-05	9.80E-04	4.40E-04	6.90E-04	7.20E-04	7.00E-04	5.00E-04	8.90E-04	5.30E-04	2.80E-04	3.90E-04	2.20E-04	1.30E-04	1.20E-03	2.60E-04	2.20E-04	3.10E-04	1.00E-03	9.30E-04	4.00E-04	1.00E-03
246.151m/z	4.30E-04	N.D.	2.60E-03	1.70E-04	N.D.	1.10E-04	1.00E-03	3.00E-04	8.20E-04	1.80E-04	3.00E-04	1.70E-03	2.10E-03	N.D.	1.20E-03	N.D.	2.80E-03	N.D.	N.D.	6.70E-04	5.40E-04	3.30E-04	N.D.	4.20E-04
246.168m/z	5.40E-04	2.60E-04	1.30E-04	9.20E-03	8.60E-03	5.00E-03	3.50E-03	6.70E-03	8.30E-04	2.00E-03	1.20E-03	2.60E-04	8.90E-04	7.90E-04	1.20E-03	N.D.	8.00E-04	1.50E-03	7.80E-03	2.20E-03	1.60E-03	2.40E-04	1.10E-03	8.60E-04
AAS(6.87); AGT(6.87); TQ(6.87);	1.30E-04	1.60E-04	5.70E-04	9.40E-05	3.00E-04	4.80E-04	4.70E-04	1.40E-04	5.20E-04	1.20E-04	1.90E-04	N.D.	3.40E-04	9.20E-04	2.40E-04	2.90E-04	6.30E-04	N.D.	3.10E-04	2.30E-04	5.30E-04	1.70E-04	7.50E-04	2.60E-04
261.154m/z	6.90E-05	6.60E-05	6.20E-04	1.00E-04	1.50E-04	2.10E-04	3.30E-04	1.80E-04	8.60E-04	1.60E-04	2.30E-04	4.10E-05	2.40E-04	1.90E-04	1.10E-04	1.30E-04	4.50E-04	6.10E-05	4.70E-05	2.50E-04	3.60E-04	1.80E-04	6.60E-04	3.70E-04
262.101m/z	7.90E-05	1.20E-04	5.60E-04	1.00E-04	3.00E-04	3.70E-04	3.00E-04	1.80E-04	6.20E-04	1.60E-04	2.10E-04	7.70E-05	2.30E-04	5.50E-04	2.50E-04	2.30E-04	6.60E-04	9.00E-05	6.30E-05	2.20E-04	3.00E-04	1.90E-04	6.50E-04	3.20E-04
ASS(1.64); GST(1.64);	1.30E-04	2.50E-04	4.90E-04	3.50E-05	4.10E-05	5.00E-04	1.80E-04	1.20E-04	2.10E-03	1.20E-04	1.50E-04	1.80E-04	1.90E-04	1.40E-04	7.20E-04	9.20E-04	3.90E-04	9.30E-04	1.20E-04	1.20E-04	1.80E-04	4.00E-04	1.60E-03	1.60E-04
266.647m/z	1.20E-04	6.90E-05	1.50E-04	3.50E-04	8.90E-05	1.30E-04	1.70E-03	6.80E-04	3.20E-04	5.90E-04	7.80E-04	2.00E-04	7.70E-04	4.30E-04	4.30E-05	7.30E-05	3.20E-04	N.D.	3.60E-05	2.80E-04	1.70E-03	1.70E-04	3.40E-04	4.00E-04
270.668m/z	9.80E-06	1.70E-06	1.70E-05	1.60E-05	4.00E-05	2.40E-05	6.60E-04	6.40E-05	2.50E-04	1.30E-04	1.00E-04	1.30E-05	5.50E-05	4.70E-06	N.D.	N.D.	1.10E-04	1.40E-06	1.00E-05	1.20E-04	2.10E-04	7.80E-05	2.90E-04	3.80E-04
272.13m/z	1.70E-04	4.00E-05	4.30E-04	3.30E-04	1.50E-04	1.40E-04	8.80E-04	4.20E-04	1.10E-03	2.20E-04	3.10E-04	5.70E-04	9.50E-04	2.20E-03	5.80E-04	9.30E-04	7.00E-04	N.D.	N.D.	1.00E-03	5.40E-04	2.80E-04	1.80E-03	4.70E-04
275.141m/z	4.20E-04	2.10E-04	2.10E-03	1.60E-04	5.80E-05	4.40E-05	5.60E-03	2.50E-04	4.30E-03	2.70E-04	7.60E-05	4.00E-03	6.70E-03	2.80E-03	3.80E-03	5.60E-03	6.90E-03	N.D.	N.D.	7.40E-03	1.90E-04	1.20E-04	1.20E-02	3.80E-04
AW(2.5);	1.20E-04	5.70E-05	7.00E-04	2.50E-04	9.40E-05	1.00E-04	1.10E-03	3.10E-04	9.00E-04	1.50E-04	3.10E-04	8.60E-04	1.30E-03	1.40E-03	7.30E-04	1.60E-03	1.20E-03	N.D.	N.D.	1.40E-03	3.50E-04	1.30E-04	2.20E-03	2.40E-04
279.064m/z	2.10E-04	N.D.	3.10E-04	8.00E-05	6.80E-05	1.00E-04	2.10E-04	4.10E-04	1.40E-04	2.60E-04	1.90E-04	6.70E-05	5.80E-05	8.60E-05	9.00E-05	N.D.	1.20E-04	N.D.	N.D.	8.80E-06	1.10E-04	1.30E-04	N.D.	2.00E-04
286.127m/z	N.D.	N.D.	7.20E-05	N.D.	N.D.	N.D.	9.30E-05	6.60E-05	1.10E-04	2.60E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.10E-04	N.D.	N.D.	N.D.	N.D.	1.30E-04	1.80E-04	7.50E-04
290.168m/z	2.30E-04	1.10E-04	3.70E-04	1.10E-04	2.00E-04	2.60E-04	9.90E-04	1.40E-04	5.30E-04	2.00E-04	1.50E-04	6.60E-05	2.80E-04	1.80E-03	2.70E-04	4.40E-04	7.60E-04	4.00E-04	3.90E-04	5.30E-04	3.90E-04	1.80E-04	1.30E-03	4.40E-04
292.057m/z	5.30E-05	8.00E-05	9.70E-06	3.70E-04	1.10E-05	1.40E-05	5.00E-04	1.20E-03	2.00E-04	1.20E-03	4.20E-05	1.60E-05	1.20E-04	3.00E-05	2.50E-05	1.40E-04	6.50E-04	1.20E-03	2.50E-03	2.60E-04	9.80E-05	3.20E-04	3.00E-04	1.80E-03
307.798m/z	1.00E-04	5.50E-05	2.90E-04	4.20E-04	1.10E-04	1.40E-04	3.40E-04	5.00E-04	1.80E-04	5.00E-04	1.40E-04	2.20E-05	1.60E-04	1.00E-04	2.00E-04	6.90E-05	8.00E-05	1.50E-05	2.90E-05	8.20E-05	1.70E-04	1.20E-04	6.20E-05	1.80E-04
315.676m/z	7.40E-05	3.80E-05	8.60E-05	3.40E-04	8.10E-05	3.00E-04	1.80E-03	9.30E-04	1.70E-04	9.50E-04	1.40E-03	7.20E-05	1.80E-04	4.00E-04	1.90E-05	9.00E-05	2.20E-04	3.10E-05	3.80E-05	8.80E-05	9.70E-04	3.00E-04	2.00E-04	5.40E-04
326.056m/z	1.90E-04	1.00E-04	3.40E-05	3.00E-05	3.10E-05	1.40E-04	1.30E-04	2.80E-05	3.10E-05	2.00E-04	4.40E-05	1.10E-04	8.60E-05	4.50E-04	3.50E-05	2.00E-04	1.50E-04	1.30E-05	1.30E-04	2.80E-04	1.80E-04	5.00E-05	2.10E-04	3.30E-05
331.203m/z	6.50E-05	N.D.	2.10E-04	1.90E-04	6.80E-05	7.40E-05	4.80E-04	3.70E-04	2.40E-04	8.50E-05	1.70E-04	3.50E-04	4.80E-04	7.40E-04	3.20E-04	5.50E-04	2.40E-04	N.D.	N.D.	6.70E-04	2.60E-04	1.20E-04	5.90E-04	1.60E-04
332.204m/z	N.D.	1.70E-05	1.30E-05	8.60E-05	4.90E-05	3.30E-05	5.80E-04	5.00E-04	3.60E-04	4.20E-04	2.80E-04	8.10E-05	1.50E-04	N.D.	1.70E-05	N.D.	1.10E-04	9.00E-05	5.10E-04	4.70E-04	2.20E-04	1.20E-04	4.90E-04	3.50E-04
334.088m/z	7.90E-06	2.00E-06	1.40E-05	1.70E-04	2.70E-05	2.50E-05	1.50E-04	3.60E-04	2.70E-04	7.40E-04	2.20E-05	9.70E-06	4.20E-05	6.50E-06	6.10E-05	N.D.	1.40E-05	N.D.	N.D.	1.30E-04	2.30E-05	1.60E-05	2.50E-05	2.60E-05
SDD(4.23);	5.20E-05	3.10E-05	4.60E-05	9.70E-05	1.00E-05	2.70E-05	7.40E-04	8.20E-04	2.50E-04	9.90E-04	4.10E-04	2.30E-04	1.80E-04	8.50E-05	2.30E-05	4.60E-05	1.30E-04	3.10E-05	6.20E-05	1.40E-04	3.10E-04	2.70E-04	1.40E-04	3.00E-04
344.691m/z	1.30E-04	1.70E-05	3.10E-04	2.60E-04	5.90E-04	2.10E-04	1.70E-03	5.00E-04	1.50E-03	1.10E-03	8.00E-04	7.90E-05	3.00E-04	2.10E-04	2.10E-04	4.20E-05	6.90E-04	3.30E-05	7.30E-05	4.80E-04	1.10E-03	5.00E-04	7.10E-04	1.60E-03
AAAD(5.7); AAGE(5.7); AQE(5.71); PGSS(5.7); VGGD(5.71); VND(5.71);	1.70E-04	1.80E-04	7.70E-04	9.00E-05	2.50E-04	2.10E-04	3.30E-04	4.50E-04	3.80E-04	3.70E-04	3.30E-04	N.D.	2.10E-04	N.D.	N.D.	N.D.	6.30E-04	N.D.	2.40E-05	7.80E-05	3.10E-04	4.20E-04	2.10E-04	3.90E-04
LSE(2.64); LTD(2.64); VTE(2.64);	1.10E-04	5.60E-05	2.50E-04	8.70E-05	1.00E-04	1.10E-04	6.60E-04	1.40E-04	3.20E-04	2.30E-04	1.40E-04	3.50E-05	1.90E-04	1.10E-03	1.10E-04	2.00E-04	7.50E-04	1.70E-04	1.70E-04	1.50E-04	3.80E-04	2.00E-04	5.70E-04	4.30E-04
MSE(0.93); MTD(0.93);	7.80E-06	8.80E-06	4.90E-05	9.20E-05	2.50E-05	4.20E-05	1.10E-04	2.00E-04	5.20E-04	2.00E-04	3.70E-05	5.00E-06	3.00E-05	N.D.	4.60E-05	N.D.	7.70E-05	1.70E-05	9.50E-06	1.40E-04	2.70E-05	3.30E-05	4.00E-05	6.30E-05
371.604m/z	3.30E-04	1.50E-04	7.80E-04	5.10E-04	7.80E-05	4.90E-05	1.20E-03	1.50E-03	1.00E-03	1.30E-03	6.40E-04	4.10E-04	1.30E-03	3.50E-04	3.60E-05	3.00E-04	1.90E-04	2.80E-05	4.70E-05	2.40E-04	9.00E-04	3.70E-04	7.80E-05	5.30E-04
394.212m/z	6.40E-05	8.00E-06	4.40E-05	5.50E-05	7.20E-05	6.00E-05	5.90E-04	4.60E-05	3.20E-04	1.80E-04	5.60E-05	4.90E-05	6.60E-05	1.00E-04	9.30E-05	2.10E-05	2.40E-04	1.10E-05	2.10E-05	3.00E-04	1.70E-04	1.00E-04	4.30E-04	4.00E-04
414.906m/z	3.50E-04	4.40E-05	3.50E-04	2.80E-04	5.30E-04	4.30E-04	3.40E-03	2.80E-04	2.50E-03	9.60E-04	5.20E-04	1.20E-04	2.10E-04	8.80E-05	6.80E-04	7.70E-05	1.30E-03	4.00E-05	9.00E-05	1.10E-03	1.00E-03	9.80E-04	2.10E-03	1.90E-03
415.24m/z	2.30E-04	2.80E-05	2.10E-04	1.90E-04	3.70E-04	3.00E-04	2.20E-03	1.90E-04	1.70E-03	6.70E-04	3.00E-04	7.40E-05	1.80E-04	5.90E-05	4.60E-04	N.D.	8.10E-04	N.D.	5.30E-05	7.50E-04	7.30E-04	7.50E-04	1.30E-03	1.30E-03
415.574m/z	7.00E-05	1.20E-05	1.00E-04	7.40E-05	1.30E-04	1.10E-04	7.20E-04	6.50E-05	5.70E-04	2.40E-04	1.10E-04	3.30E-05	5.90E-05	9.20E-05	1.60E-04	1.80E-05	3.10E-04	8.40E-06	1.80E-05	2.70E-04	2.30E-04	3.10E-04	5.50E-04	4.20E-04
424.101m/z	9.30E-05	4.20E-05	7.60E-04	6.40E-05	8.10E-04	1.90E-04	5.30E-04	8.80E-04	3.10E-04	5.20E-04	4.60E-04	1.10E-04	2.00E-04	1.80E-04	3.50E-04	7.30E-05	3.40E-04	1.00E-04	1.30E-04	1.60E-04	4.50E-04	5.60E-04	3.20E-04	5.30E-04
428.078m/z	7.00E-05	3.30E-05	6.90E-05	1.40E-04	6.70E-05	6.40E-05	3.10E-03	2.00E-04	4.90E-04	9.20E-04	1.30E-04	8.70E-04	3.70E-04	1.30E-04	2.20E-05	2.70E-05	2.50E-04	N.D.	2.30E-05	3.50E-04	5.30E-04	3.70E-04	4.80E-05	3.90E-04
428.176m/z	1.50E-04	2.80E-04	6.40E-04	6.60E-05	1.70E-04	1.60E-04	3.80E-04	3.40E-04	5.90E-04	2.70E-04	2.60E-04	1.50E-04	3.50E-04	1.10E-03	2.00E-04	6.40E-04	4.80E-04	4.50E-04	2.60E-04	2.30E-04	2.70E-04	3.00E-04	4.20E-04	3.20E-04
438.92m/z	1.20E-04	5.60E-06	5.40E-05	6.30E-05	4.10E-05	2.10E-05	2.10E-04	2.90E-05	1.10E-04	1.20E-04	5.00E-05	3.20E-05	2.30E-05	1.30E-04	1.40E-04	6.70E-06	6.10E-05	1.00E-05	8.60E-06	1.10E-04	5.00E-05	6.60E-05	1.40E-04	1.30E-04
445.138m/z	4.10E-05	1.10E-05	4.10E-05	1.80E-04	8.70E-05	9.70E-05	2.30E-04	5.70E-05	1.30E-04	1.30E-04	4.70E-05	6.20E-05	9.60E-05	N.D.	1.00E-04	6.90E-05	7.30E-05	N.D.	N.D.	1.00E-04	4.00E-05	4.80E-05	3.40E-04	9.10E-05
CCDD(1.8);	1.10E-04	8.10E-05	9.10E-04	3.00E-04	7.90E-05	9.00E-05	4.60E-04	2.00E-04	3.20E-04	3.60E-04	3.10E-04	9.00E-05	1.70E-04	3.10E-05	6.70E-05	2.60E-05	8.10E-05	5.10E-06	3.10E-05	4.90E-05	8.50E-05	4.60E-05	N.D.	1.10E-04
456.633m/z	7.10E-05	1.20E-04	4.40E-04	2.60E-04	2.00E-04	3.70E-04	4.90E-04	4.40E-04	9.80E-04	4.10E-04	4.60E-04	2.60E-04	1.40E-04	2.30E-03	3.70E-05	3.30E-04	4.40E-04	1.90E-04	5.20E-04	3.50E-04	2.70E-04	3.00E-04	6.70E-04	3.70E-04
459.617m/z	5.60E-05	2.90E-05	6.60E-05	1.60E-04	1.40E-04	9.50E-05	1.70E-04	5.10E-04	5.90E-05	2.80E-04	7.30E-05	2.20E-06	5.40E-05	3.00E-05	2.00E-04	1.90E-05	3.00E-05	7.70E-06	N.D.	5.60E-05	3.20E-05	5.80E-05	1.70E-05	9.90E-05
472.755m/z	3.60E-04	2.60E-05	6.80E-04	2.30E-04	2.90E-04	2.30E-04	1.40E-03	2.50E-04	8.30E-04	5.90E-04	3.80E-04	2.20E-05	4.20E-04	1.60E-04	1.40E-04	7.50E-05	7.90E-04	2.30E-05	1.40E-05	3.10E-04	5.50E-04	5.00E-04	4.40E-04	8.90E-04
482.107m/z	6.20E-07	1.00E-06	4.90E-06	3.80E-07	5.10E-04	3.60E-04	1.40E-04	4.00E-04	1.00E-05	1.20E-04	8.60E-05	5.40E-07	1.50E-05	1.40E-05	3.50E-04	N.D.	2.70E-04	1.10E-05	8.60E-06	1.10E-04	1.30E-06	1.10E-04	7.70E-05	3.30E-04
484.269m/z	3.50E-05	1.30E-05	1.90E-05	1.10E-04	1.70E-05	3.60E-05	4.70E-04	9.60E-05	7.50E-05	1.40E-04	9.30E-05	9.00E-05	1.90E-04	6.70E-05	2.80E-05	1.60E-05	1.20E-04	N.D.	1.20E-05	3.30E-04	2.80E-04	4.20E-05	2.70E-04	1.10E-04
KFNQ(6.06); RPTY(6.06); RVFD(6.06);	5.20E-05	3.50E-05	5.60E-05	2.50E-04	1.50E-05	8.80E-05	1.20E-03	3.20E-04	4.10E-05	3.20E-04	3.00E-04	1.10E-04	5.00E-04	3.30E-04	2.20E-05	5.50E-05	2.40E-04	8.70E-06	2.00E-05	3.00E-04	1.20E-03	6.90E-05	3.20E-04	2.60E-04
586.839m/z	7.50E-05	9.70E-06	1.40E-04	1.30E-04	1.60E-04	7.10E-05	7.80E-04	1.20E-04	4.80E-04	3.20E-04	1.80E-04	6.60E-05	1.20E-04	4.20E-05	6.30E-05	1.90E-05	2.50E-04	1.50E-05	1.80E-05	2.00E-04	2.80E-04	1.60E-04	2.50E-04	5.40E-04
614.683m/z	9.60E-05	1.00E-05	2.20E-04	1.40E-04	2.90E-04	1.30E-04	1.30E-03	5.80E-05	1.60E-03	4.70E-04	1.20E-04	8.00E-05	1.20E-04	1.30E-04	2.80E-04	4.10E-05	7.80E-04	3.40E-05	3.90E-05	9.40E-04	3.10E-04	2.80E-04	1.70E-03	8.80E-04
619.123m/z	2.70E-04	1.80E-06	1.80E-03	1.20E-04	1.20E-04	1.00E-04	4.80E-04	7.20E-04	5.80E-04	7.20E-04	1.20E-03	5.20E-05	8.60E-04	5.20E-05	1.70E-04	N.D.	2.30E-04	N.D.	N.D.	2.80E-05	3.00E-04	3.60E-04	N.D.	3.10E-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
1,2,3,4,6,7,8,9-Octachlorodibenzofuran/	440.752					C18113;		Osaka_City_University_ID
16alpha-Bromo-17beta-estradiol(0)/	351.095					C14731;		Osaka_City_University_ID
1-Methyl-2-pyrrolidone	100.076					C11118		Osaka_City_University_ID
1-Methyl-4-imidazoleacetic acid	141.065					C05828		Osaka_City_University_ID
1-Methyladenosine	282.118					C02494		Osaka_City_University_ID
1-Methylhistamine	126.102					C05127		Osaka_City_University_ID
1-Methylhistidine	170.092							Osaka_City_University_ID
1-Methylnicotinamide	137.070					C02918		Osaka_City_University_ID
1-Pyrroline 5-carboxylic acid	114.055					C03912		Osaka_City_University_ID
2-Aminoadipic acid	162.075					C00956		Osaka_City_University_ID
2-Aminobutyric acid	104.071					C02261;C02356		Osaka_City_University_ID
2-Methylserine	120.065					C02115		Osaka_City_University_ID
2-Phenylethylamine	122.096					C05332		Osaka_City_University_ID
3,4-Dehydrothiomorpholine-3-carboxylate/	146.027					C04445;		Osaka_City_University_ID
3-Aminoisobutyric acid	104.071					C03284;C05145		Osaka_City_University_ID
3-beta-D-Galactosyl-sn-glycerol/ Dyphylline/ 2-(beta-D-Glucosyl)-sn-glycerol/	255.106					C05401; C07819; C11546;		Osaka_City_University_ID
3-(Pyrazol-1-yl)-L-alanine/	156.076					C01162;		Osaka_City_University_ID
4-Aminobenzoate/ 4-Nitrotoluene/	138.055					C00568; C14394;		Osaka_City_University_ID
4-(Trimethylammonio)but-2-enoate/	144.101					C04114;		Osaka_City_University_ID
5,6-Dihydrothymine/ gamma-Amino-gamma-cyanobutanoate/ alpha-Amino-gamma-cyanobutanoate/	129.065					C00906; C05715; C05717;		Osaka_City_University_ID
5-Aminovaleric acid	118.086					C00431		Osaka_City_University_ID
5-Hydroxylysine	163.107					C16741		Osaka_City_University_ID
5-Phosphonooxy-L-lysine/ 2-Deoxystreptamine phospahte/ 2-Deoxystreptamine 4-phosphate/ Phosphoallohydroxy-L-lysine/	243.073					C03366; C03828; C03980; C16743;		Osaka_City_University_ID
6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione/ 9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione/	365.210					C15172; C15380;		Osaka_City_University_ID
Acetylcysteine/	164.037					C06809;		Osaka_City_University_ID
Adenine	136.061					C00147		Osaka_City_University_ID
Adenosine	268.103					C00212		Osaka_City_University_ID
ADMA	203.149					C03626		Osaka_City_University_ID
Ala	91.058					C00041;C00133;C01401		Osaka_City_University_ID
Ala-Ala	161.092					C00993		Osaka_City_University_ID
Ala-Arg/Arg-Ala								Osaka_City_University_ID
Ala-Asn/Asn-Ala/Gly-Gln								Osaka_City_University_ID
Ala-Asp/Asp-Ala								Osaka_City_University_ID
Ala-Gly/Gly-Ala								Osaka_City_University_ID
Ala-His/His-Ala								Osaka_City_University_ID
Ala-Lys	218.149							Osaka_City_University_ID
Ala-Met	221.095							Osaka_City_University_ID
Ala-Ser/Thr-Gly								Osaka_City_University_ID
Ala-Thr/Thr-Ala								Osaka_City_University_ID
Ala-Tyr/Phe-Ser/Tyr-Ala								Osaka_City_University_ID
Ala-Val/Ile-Gly/Leu-Gly/Val-Ala								Osaka_City_University_ID
Anthranilic acid	138.054					C00108		Osaka_City_University_ID
Arg	175.118					C00062;C00792		Osaka_City_University_ID
Arg-Asn/Asn-Arg	289.160							Osaka_City_University_ID
Arg-Gln	303.176							Osaka_City_University_ID
Arg-Glu/Glu-Arg								Osaka_City_University_ID
Arg-Gly/Gly-Arg								Osaka_City_University_ID
Arg-Ile/Arg-Leu/Leu-Arg								Osaka_City_University_ID
Argininosuccinic acid	291.129					C03406		Osaka_City_University_ID
Arg-Ser/Ser-Arg								Osaka_City_University_ID
Arg-Thr	276.166							Osaka_City_University_ID
Arg-Tyr/Tyr-Arg								Osaka_City_University_ID
Arg-Val	274.186							Osaka_City_University_ID
Asn	133.060					C00152;C01905;C16438		Osaka_City_University_ID
Asn-Glu	262.101							Osaka_City_University_ID
Asn-Ile/Asn-Leu/Ile-Asn/Leu-Asn/Val-Gln								Osaka_City_University_ID
Asn-Lys/Lys-Asn								Osaka_City_University_ID
Asn-Ser/Ser-Asn								Osaka_City_University_ID
Asn-Thr/Ser-Gln/Thr-Asn								Osaka_City_University_ID
Asn-Val/Val-Asn								Osaka_City_University_ID
Asp	134.045					C00049;C00402;C16433		Osaka_City_University_ID
Asp-Lys	262.138							Osaka_City_University_ID
Asp-Ser/Ser-Asp								Osaka_City_University_ID
Atherospermidine/	306.075					C09347;		Osaka_City_University_ID
beta-Alanyl-L-lysine/ gamma-L-Glutamylputrescine/	218.149					C05341; C15699;		Osaka_City_University_ID
Betaine	118.086					C00719		Osaka_City_University_ID
Betaine aldehyde_+H2O	120.101					C00576		Osaka_City_University_ID
Betonicine	160.096					C08269		Osaka_City_University_ID
?-Butyrobetaine	146.117					C01181		Osaka_City_University_ID
Butyrylcarnitine/Isobutyrylcarnitine						C02862		Osaka_City_University_ID
Carnitine	162.112					C00318;C00487;C15025		Osaka_City_University_ID
Carnosine	227.113					C00386		Osaka_City_University_ID
Choline	104.107					C00114		Osaka_City_University_ID
cis-4-Hydroxyproline	132.065					C03440		Osaka_City_University_ID
Citrulline	176.102					C00327		Osaka_City_University_ID
Creatine	133.079					C00300		Osaka_City_University_ID
Creatinine	114.066					C00791		Osaka_City_University_ID
Cryptolepine/	233.109					C09142;		Osaka_City_University_ID
Cys	122.027					C00097;C00736;C00793		Osaka_City_University_ID
Cystathionine	223.074					C00542;C02291		Osaka_City_University_ID
Cysteine glutathione disulfide	427.094					C05526		Osaka_City_University_ID
Cystine	241.030					C00491;C01420		Osaka_City_University_ID
Cytidine	244.094					C00475		Osaka_City_University_ID
Cytosine	112.050					C00380		Osaka_City_University_ID
Dehydrocostus lactone/ Eremanthin/ Dehydromyodesmone/ 3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone/ Curzerenone/ Furanodienone/ Linderenol/ Isodehydrocostus lactone/	231.139					C09387; C09406; C09658; C15134; C16943; C16960; C16988; C17913;		Osaka_City_University_ID
DIBOA-glucoside/	344.099					C15772;		Osaka_City_University_ID
Dicyclohexylamine/	182.190					C14686;		Osaka_City_University_ID
Ergothioneine	230.095					C05570		Osaka_City_University_ID
Ethanolamine	62.061					C00189		Osaka_City_University_ID
Fagomine/	148.096					C10144;		Osaka_City_University_ID
Fortimicin KL1/	353.205					C17973;		Osaka_City_University_ID
Fructoselysine/	309.166					C16488;		Osaka_City_University_ID
GABA	104.071					C00334		Osaka_City_University_ID
Gln	147.076					C00064;C00303;C00819		Osaka_City_University_ID
Gln-Thr/Thr-Gln								Osaka_City_University_ID
Glu	149.063					C00025;C00217;C00302		Osaka_City_University_ID
Gluconolactone	179.054					C00198		Osaka_City_University_ID
Glucosamine	180.086					C00329		Osaka_City_University_ID
?-Glu-Cys	251.068					C00669		Osaka_City_University_ID
Glu-Glu	277.103					C01425		Osaka_City_University_ID
Glu-Ile/Glu-Leu/Ile-Glu/Leu-Glu								Osaka_City_University_ID
Glu-Lys/Lys-Glu								Osaka_City_University_ID
Glu-Ser	235.091							Osaka_City_University_ID
Glutathione (GSH)	308.091					C00051		Osaka_City_University_ID
Glutathione (GSSG)_divalent	307.082					C00127		Osaka_City_University_ID
Glu-Tyr/Tyr-Glu								Osaka_City_University_ID
Gly	77.042					C00037		Osaka_City_University_ID
Gly-Asn	190.081							Osaka_City_University_ID
Glycerophosphocholine	258.109					C00670		Osaka_City_University_ID
Gly-Gly	133.061					C02037		Osaka_City_University_ID
Gly-His/His-Gly								Osaka_City_University_ID
Gly-Ile/Gly-Leu								Osaka_City_University_ID
Gly-Lys/Lys-Gly								Osaka_City_University_ID
Gly-Met/Met-Gly								Osaka_City_University_ID
Gly-Thr/Ser-Ala								Osaka_City_University_ID
Gly-Val	175.108							Osaka_City_University_ID
Guanidinosuccinic acid	176.066					C03139		Osaka_City_University_ID
Guanidoacetic acid	118.061					C00581		Osaka_City_University_ID
Guanine	152.060					C00242		Osaka_City_University_ID
Guanosine	284.098					C00387		Osaka_City_University_ID
His	156.076					C00135;C00768;C06419		Osaka_City_University_ID
Histamine	112.087					C00388		Osaka_City_University_ID
His-Thr/Thr-His								Osaka_City_University_ID
Homoserine	120.066					C00263		Osaka_City_University_ID
Homoserinelactone	102.055							Osaka_City_University_ID
Homospermidine/ Aminopropylcadaverine/	160.180					C06366; C16565;		Osaka_City_University_ID
Hordenine	166.122					C06199		Osaka_City_University_ID
Hydroxyproline	132.065					C01157		Osaka_City_University_ID
Hypotaurine	110.027					C00519		Osaka_City_University_ID
Hypoxanthine	137.045					C00262		Osaka_City_University_ID
Ile	132.101					C00407;C06418;C16434		Osaka_City_University_ID
Ile-Ala/Leu-Ala								Osaka_City_University_ID
Ile-Arg_divalent	144.605							Osaka_City_University_ID
Ile-Asp/Leu-Asp								Osaka_City_University_ID
Ile-Gln/Leu-Gln								Osaka_City_University_ID
Ile-Lys/Lys-Ile/Lys-Leu/Leu-Lys								Osaka_City_University_ID
Ile-Ser/Ser-Ile/Ser-Leu/Thr-Val/Val-Thr								Osaka_City_University_ID
Ile-Thr/Thr-Ile/Thr-Leu								Osaka_City_University_ID
Ile-Val	231.169							Osaka_City_University_ID
Imidazolelactic acid	157.060					C05568		Osaka_City_University_ID
Inosine	269.087					C00294		Osaka_City_University_ID
Isopropylamine/	60.081					C06748;		Osaka_City_University_ID
Isovalerylcarnitine	246.169							Osaka_City_University_ID
Kynurenine	209.091					C00328;C01718		Osaka_City_University_ID
Leu	132.102					C00123;C01570;C16439		Osaka_City_University_ID
Leu-His	269.159							Osaka_City_University_ID
Leu-Ile/Leu-Leu								Osaka_City_University_ID
Leu-Phe	279.169							Osaka_City_University_ID
Lidocaine	235.179					C07073		Osaka_City_University_ID
L-Norleucine/ 6-Aminohexanoate/ -beta-Leucine/ beta-Alaninebetaine/ N,N-Diethylglycine/	132.101					C01933; C02378; C02486; C08263; C16647;		Osaka_City_University_ID
Lys	147.112					C00047;C00739;C16440		Osaka_City_University_ID
Lys-Ala	218.149							Osaka_City_University_ID
Lys-Gln	275.171							Osaka_City_University_ID
Lys-Phe/Phe-Lys								Osaka_City_University_ID
Lys-Ser/Ser-Lys								Osaka_City_University_ID
Lys-Tyr/Tyr-Lys								Osaka_City_University_ID
Lys-Val	246.180							Osaka_City_University_ID
Maculosin/	261.126					C10605;		Osaka_City_University_ID
Malonylcarnitine	248.112							Osaka_City_University_ID
Melicopine/	314.103					C10724;		Osaka_City_University_ID
Met	150.058					C00073;C00855;C01733		Osaka_City_University_ID
Met-Gln	278.115							Osaka_City_University_ID
Methaphenilene/	261.144					C11113;		Osaka_City_University_ID
Methionine sulfoxide	166.053					C02989		Osaka_City_University_ID
Methyldopa anhydrous/ Enicoflavine/	212.091					C07194; C09946;		Osaka_City_University_ID
Metronidazole	172.071					C07203		Osaka_City_University_ID
Met-Thr	251.106							Osaka_City_University_ID
N1-Methyl-4-pyridone-5-carboxamide	153.065					C05843		Osaka_City_University_ID
N5-Ethylglutamine	175.107					C01047		Osaka_City_University_ID
N6-Acetyllysine	189.122					C02727		Osaka_City_University_ID
N6-Methyllysine	161.128					C02728		Osaka_City_University_ID
N8-Acetylspermidine	188.175					C01029		Osaka_City_University_ID
N-Acetyl-D-fucosamine/ N-Acetyl-D-quinovosamine/	261.138					C14501;		Osaka_City_University_ID
N-Acetylgalactosamine	222.096					C01132		Osaka_City_University_ID
N-Acetylhistidine	198.087					C02997		Osaka_City_University_ID
N-Acetyl-L-citrulline/	206.102					C15480; C15481;		Osaka_City_University_ID
Nagilactone C/ Vernolide/ Gibberellin A8-catabolite/	218.113					C15532;		Osaka_City_University_ID
N-Ethylglycine	104.071					C11735		Osaka_City_University_ID
Neuraminic acid/ Miserotoxin/	363.150					C09138; C09583; C11870;		Osaka_City_University_ID
Nicotinamide	123.055					C00153		Osaka_City_University_ID
N-Methylethanolamine phosphate/ D-1-Aminopropan-2-ol O-phosphate/ L-1-Aminopropan-2-ol O-phosphate/	268.102					C06469; C08507;		Osaka_City_University_ID
NMN	335.063					C00455		Osaka_City_University_ID
N,N-Dimethylglycine	104.071					C01026		Osaka_City_University_ID
Noradrenaline	170.081					C00547		Osaka_City_University_ID
Norfloxacin/	156.041					C01210; C04122; C04126;		Osaka_City_University_ID
O-Acetylcarnitine	204.122					C02571		Osaka_City_University_ID
Octanoylcarnitine	288.215					C02838		Osaka_City_University_ID
Ophthalmic acid	290.133							Osaka_City_University_ID
Ornithine	133.097					C00077;C00515;C01602		Osaka_City_University_ID
Oxotremorine/ Isoproturon/ Monoethylglycinexylidide/	320.145					C06687;		Osaka_City_University_ID
Pantetheine 4'-phosphate/	207.148					C07485; C11005; C16561;		Osaka_City_University_ID
Phe	166.086					C00079;C02057;C02265		Osaka_City_University_ID
Phe-Arg_divalent	161.597							Osaka_City_University_ID
Phe-Asn	280.127							Osaka_City_University_ID
Phe-Gln	294.146							Osaka_City_University_ID
Phe-Thr	267.133							Osaka_City_University_ID
Phe-Val	265.154							Osaka_City_University_ID
Phosphorylcholine	184.073					C00588		Osaka_City_University_ID
Pipecolic acid	130.086					C00408		Osaka_City_University_ID
Prenyl-L-cysteine/	359.102					C01134;		Osaka_City_University_ID
Pro	116.071					C00148;C00763;C16435		Osaka_City_University_ID
Pro-Ala	187.107							Osaka_City_University_ID
Pro-Arg_divalent	136.590							Osaka_City_University_ID
Pro-Ser	203.101							Osaka_City_University_ID
Pro-Val	215.138							Osaka_City_University_ID
Putrescine	89.107					C00134		Osaka_City_University_ID
Pyridoxamine 5'-phosphate	249.063					C00647		Osaka_City_University_ID
(R)-1-Aminopropan-2-ol/ 1-Aminopropan-2-ol/	76.076					C03194; C05771;		Osaka_City_University_ID
Ranitidine	315.148					C07233		Osaka_City_University_ID
RU-0211/ 6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate/	190.088					C06751;		Osaka_City_University_ID
Saccharopine	277.138					C00449		Osaka_City_University_ID
S-Adenosylhomocysteine	385.128					C00021		Osaka_City_University_ID
S-Adenosylmethionine	399.144					C00019		Osaka_City_University_ID
S-Allyl-L-cysteine/	391.227					C13707; C15310;		Osaka_City_University_ID
Sarcosine	90.055					C00213		Osaka_City_University_ID
SDMA	203.149							Osaka_City_University_ID
Ser	106.050					C00065;C00716;C00740		Osaka_City_University_ID
Ser-Gly/Gly-Ser								Osaka_City_University_ID
Ser-His	243.108							Osaka_City_University_ID
Ser-Ser	193.081							Osaka_City_University_ID
Ser-Thr	207.097							Osaka_City_University_ID
S-Methylglutathione	322.106					C11347		Osaka_City_University_ID
Spermidine	146.165					C00315		Osaka_City_University_ID
Spermine	203.222					C00750		Osaka_City_University_ID
ß-Ala	90.055					C00099		Osaka_City_University_ID
Stachydrine	144.101					C10172		Osaka_City_University_ID
Taurine	126.022					C00245		Osaka_City_University_ID
Thiamine	265.111					C00378		Osaka_City_University_ID
Thiaproline	134.027							Osaka_City_University_ID
Thiomorpholine 3-carboxylate/	162.058					C16759;		Osaka_City_University_ID
Thr	120.065					C00188;C00820		Osaka_City_University_ID
Thr-Asp/Asp-Thr/Ser-Glu								Osaka_City_University_ID
Thr-Glu	249.106							Osaka_City_University_ID
Thr-Lys	248.160							Osaka_City_University_ID
Thr-Thr	221.114							Osaka_City_University_ID
Thr-Tyr/Tyr-Thr								Osaka_City_University_ID
Thymine	127.050					C00178		Osaka_City_University_ID
trans-Glutaconic acid	131.034					C02214		Osaka_City_University_ID
Trigonelline	138.055					C01004		Osaka_City_University_ID
Trimethylamine	60.081					C00565		Osaka_City_University_ID
Trimethylamine N-oxide	76.076					C01104		Osaka_City_University_ID
Trp	205.096					C00078;C00525;C00806		Osaka_City_University_ID
Tyr	182.081					C00082;C01536;C06420		Osaka_City_University_ID
Tyramine	138.090					C00483		Osaka_City_University_ID
Tyr-Arg_divalent	169.594							Osaka_City_University_ID
Tyr-Gln	310.138							Osaka_City_University_ID
Tyr-Gly	239.102							Osaka_City_University_ID
Tyr-His	319.139							Osaka_City_University_ID
Uracil	113.035					C00106		Osaka_City_University_ID
Urea	61.040					C00086		Osaka_City_University_ID
Urethane/ 2-Nitropropane/ HMMF/	148.042					C03901;		Osaka_City_University_ID
Uridine	245.076					C00299		Osaka_City_University_ID
Urocanic acid	139.049					C00785		Osaka_City_University_ID
Val	118.086					C00183;C06417;C16436		Osaka_City_University_ID
Val-Arg_divalent	137.597							Osaka_City_University_ID
Val-Asp	233.112							Osaka_City_University_ID
Val-Glu	247.128							Osaka_City_University_ID
Val-Gly/N-Acetylornithine								Osaka_City_University_ID
Val-His	255.144							Osaka_City_University_ID
Val-Lys	246.180							Osaka_City_University_ID
Vulgaxanthin-II/ Psorospermin/ S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine/ Methylophiopogonone A/	90.055					C01537; C02116; C11488;		Osaka_City_University_ID
XC0003	90.091							Osaka_City_University_ID
XC0007	109.579							Osaka_City_University_ID
XC0014	123.594							Osaka_City_University_ID
XC0016	129.065							Osaka_City_University_ID
XC0018	130.602							Osaka_City_University_ID
XC0019	131.573							Osaka_City_University_ID
XC0023	134.081							Osaka_City_University_ID
XC0025	138.581							Osaka_City_University_ID
XC0026	138.581							Osaka_City_University_ID
XC0029	144.101							Osaka_City_University_ID
XC0030	145.576							Osaka_City_University_ID
XC0032	148.042							Osaka_City_University_ID
XC0033	152.037							Osaka_City_University_ID
XC0041	176.037							Osaka_City_University_ID
XC0044	186.112							Osaka_City_University_ID
XC0046	191.065							Osaka_City_University_ID
XC0047	191.101							Osaka_City_University_ID
XC0049	192.050							Osaka_City_University_ID
XC0052	198.064							Osaka_City_University_ID
XC0054	205.081							Osaka_City_University_ID
XC0055	205.081							Osaka_City_University_ID
XC0061	218.138							Osaka_City_University_ID
XC0062	219.097							Osaka_City_University_ID
XC0063	219.133							Osaka_City_University_ID
XC0064	221.076							Osaka_City_University_ID
XC0067	224.112							Osaka_City_University_ID
XC0071	234.180							Osaka_City_University_ID
XC0073	235.091							Osaka_City_University_ID
XC0075	238.091							Osaka_City_University_ID
XC0080	247.128							Osaka_City_University_ID
XC0082	248.087							Osaka_City_University_ID
XC0083	248.148							Osaka_City_University_ID
XC0084	249.071							Osaka_City_University_ID
XC0085	249.107							Osaka_City_University_ID
XC0086	250.092							Osaka_City_University_ID
XC0089	255.096							Osaka_City_University_ID
XC0096	261.143							Osaka_City_University_ID
XC0097	262.103							Osaka_City_University_ID
XC0098	262.127							Osaka_City_University_ID
XC0101	262.164							Osaka_City_University_ID
XC0102	263.087							Osaka_City_University_ID
XC0106	271.102							Osaka_City_University_ID
XC0107	276.118							Osaka_City_University_ID
XC0108	276.143							Osaka_City_University_ID
XC0109	277.103							Osaka_City_University_ID
XC0110	278.571							Osaka_City_University_ID
XC0112	280.139							Osaka_City_University_ID
XC0113	282.117							Osaka_City_University_ID
XC0114	285.118							Osaka_City_University_ID
XC0115	288.065							Osaka_City_University_ID
XC0116	290.159							Osaka_City_University_ID
XC0117	294.153							Osaka_City_University_ID
XC0121	298.186							Osaka_City_University_ID
XC0123	306.747							Osaka_City_University_ID
XC0125	309.128							Osaka_City_University_ID
XC0126	310.112							Osaka_City_University_ID
XC0132	325.160							Osaka_City_University_ID
XC0136	338.100							Osaka_City_University_ID
XC0138	367.149							Osaka_City_University_ID
XC0139	384.114							Osaka_City_University_ID
XC0140	388.109							Osaka_City_University_ID
XC0141	389.131							Osaka_City_University_ID
XC0143	470.143							Osaka_City_University_ID
1_2_3_4_6_7_8_9-Octachlorodibenzofuran/							
3_4-Dehydrothiomorpholine-3-carboxylate/							
5_6-Dihydrothymine/ gamma-Amino-gamma-cyanobutanoate/ alpha-Amino-gamma-cyanobutanoate/							
6alpha-Fluoro-11beta_17-dihydroxypregn-4-ene-3_20-dione/ 9-Fluoro-11beta_16alpha-dihydroxypregn-4-ene-3_20-dione/							
Dehydrocostus lactone/ Eremanthin/ Dehydromyodesmone/ 3-(1_2_3_4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone/ Curzerenone/ Furanodienone/ Linderenol/ Isodehydrocostus lactone/							
L-Norleucine/ 6-Aminohexanoate/ -beta-Leucine/ beta-Alaninebetaine/ N_N-Diethylglycine/							
N_N-Dimethylglycine							
Pantetheine 4^-phosphate/							
Pyridoxamine 5^-phosphate							
RU-0211/ 6alpha-Fluoro-17-hydroxypregn-4-ene-3_20-dione acetate/							
90.037m/z	90.037						
107.107m/z	107.107						
122.587m/z	122.587						
129.065m/z	129.065						
130.086m/z	130.086						
136.532m/z	136.532						
142.589m/z	142.589						
152.11m/z	152.11						
160.133m/z	160.133						
161.128m/z	161.128						
162.112m/z	162.112						
162.123m/z	162.123						
165.032m/z	165.032						
166.085m/z	166.085						
166.121m/z	166.121						
167.109m/z	167.109						
174.115m/z	174.115						
176.102m/z	176.102						
176.127m/z	176.127						
176.128m/z	176.128						
180.136m/z	180.136						
184.618m/z	184.618						
186.059m/z	186.059						
191.048m/z	191.048						
192.053m/z	192.053						
196.116m/z	196.116						
AL(9.99);	203.138						
204.096m/z	204.096						
204.105m/z	204.105						
205.1m/z	205.1						
205.115m/z	205.115						
206.047m/z	206.047						
212.117m/z	212.117						
223.634m/z	223.634						
LT(5.36);	233.149						
238.037m/z	238.037						
246.151m/z	246.151						
246.168m/z	246.168						
AAS(6.87); AGT(6.87); TQ(6.87);	248.123						
261.154m/z	261.154						
262.101m/z	262.101						
ASS(1.64); GST(1.64);	264.118						
266.647m/z	266.647						
270.668m/z	270.668						
272.13m/z	272.13						
275.141m/z	275.141						
AW(2.5);	276.132						
279.064m/z	279.064						
286.127m/z	286.127						
290.168m/z	290.168						
292.057m/z	292.057						
307.798m/z	307.798						
315.676m/z	315.676						
326.056m/z	326.056						
331.203m/z	331.203						
332.204m/z	332.204						
334.088m/z	334.088						
SDD(4.23);	336.103						
344.691m/z	344.691						
AAAD(5.7); AAGE(5.7); AQE(5.71); PGSS(5.7); VGGD(5.71); VND(5.71);	347.155						
LSE(2.64); LTD(2.64); VTE(2.64);	348.177						
MSE(0.93); MTD(0.93);	366.133						
371.604m/z	371.604						
394.212m/z	394.212						
414.906m/z	414.906						
415.24m/z	415.24						
415.574m/z	415.574						
424.101m/z	424.101						
428.078m/z	428.078						
428.176m/z	428.176						
438.92m/z	438.92						
445.138m/z	445.138						
CCDD(1.8);	455.09						
456.633m/z	456.633						
459.617m/z	459.617						
472.755m/z	472.755						
482.107m/z	482.107						
484.269m/z	484.269						
KFNQ(6.06); RPTY(6.06); RVFD(6.06);	536.28						
586.839m/z	586.839						
614.683m/z	614.683						
619.123m/z	619.123						
METABOLITES_END
#END