#METABOLOMICS WORKBENCH Unok_20241119_004824 DATATRACK_ID:5381 STUDY_ID:ST003586 ANALYSIS_ID:AN005889 PROJECT_ID:PR002216
VERSION             	1
CREATED_ON             	November 21, 2024, 8:35 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics of the liver after administration of adenovirus associated with
PR:PROJECT_TITLE                 	metabolic liver zonation
PR:PROJECT_SUMMARY               	Metabolic zonation in the liver is broadly defined as spatiotemporal variability
PR:PROJECT_SUMMARY               	in the intra-hepatic distribution of nutrients. R-spondin3 (Rspo3) regulates
PR:PROJECT_SUMMARY               	metabolic features around hepatic central veins. Herein, we demonstrate that
PR:PROJECT_SUMMARY               	altered hepatic metabolic zonation due to Rspo3 contributes to maintaining
PR:PROJECT_SUMMARY               	systemic glucose metabolism and body composition via inter-organ communication
PR:PROJECT_SUMMARY               	mechanism. Hepatic Rspo3 induction in obesity improves obesity-associated
PR:PROJECT_SUMMARY               	features by restoring insulin sensitivity, reversing adipose tissue enlargement
PR:PROJECT_SUMMARY               	and reversing overstimulated adaptive thermogenesis. These remote effects partly
PR:PROJECT_SUMMARY               	consist of neuronal communication via the afferent vagus from the liver. In
PR:PROJECT_SUMMARY               	contrast, hepatic Rspo3 suppression exacerbates diabetes due to insulin
PR:PROJECT_SUMMARY               	resistance and develops fatty liver.
PR:INSTITUTE                     	Teikyo University
PR:LAST_NAME                     	Uno
PR:FIRST_NAME                    	Kenji
PR:ADDRESS                       	2-11-1 Kaga, Itabashi-ku, Tokyo
PR:EMAIL                         	unok@med.teikyo-u.ac.jp
PR:PHONE                         	81339641211
#STUDY
ST:STUDY_TITLE                   	Metabolomics of the murine liver
ST:STUDY_SUMMARY                 	To examine whether a molecule associated with metabolic liver zonation has an
ST:STUDY_SUMMARY                 	effect on systemic metabolism, we first administer adenoviruses expressing Rspo3
ST:STUDY_SUMMARY                 	or LacZ (control) into the murine liver. Then, by performing metabolome
ST:STUDY_SUMMARY                 	analyses, we compare the results of Rspo3-mice with those of LacZ-mice.
ST:INSTITUTE                     	Teikyo University
ST:LAST_NAME                     	Uno
ST:FIRST_NAME                    	Kenji
ST:ADDRESS                       	2-11-1 Kaga, Itabashi-ku, Tokyo
ST:EMAIL                         	unok@med.teikyo-u.ac.jp
ST:PHONE                         	81339641211
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	ob-LacZ-1	Sample source:liver | Group:ob-LacZ	
SUBJECT_SAMPLE_FACTORS           	-	ob-LacZ-2	Sample source:liver | Group:ob-LacZ	
SUBJECT_SAMPLE_FACTORS           	-	ob-LacZ-3	Sample source:liver | Group:ob-LacZ	
SUBJECT_SAMPLE_FACTORS           	-	ob-LacZ-4	Sample source:liver | Group:ob-LacZ	
SUBJECT_SAMPLE_FACTORS           	-	ob-Rspo3-1	Sample source:liver | Group:ob-Rspo3	
SUBJECT_SAMPLE_FACTORS           	-	ob-Rspo3-2	Sample source:liver | Group:ob-Rspo3	
SUBJECT_SAMPLE_FACTORS           	-	ob-Rspo3-3	Sample source:liver | Group:ob-Rspo3	
SUBJECT_SAMPLE_FACTORS           	-	ob-Rspo3-4	Sample source:liver | Group:ob-Rspo3	
#COLLECTION
CO:COLLECTION_SUMMARY            	Liver tissues were rapidly removed on day 7 after adenovirus administration,
CO:COLLECTION_SUMMARY            	frozen on liquid nitrogen and stored at –80°C until further processing. Then,
CO:COLLECTION_SUMMARY            	liver samples were weighed at approximately 40mg and subjected to the experiment
CO:COLLECTION_SUMMARY            	of metabolomics.
CO:SAMPLE_TYPE                   	Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	Recombinant adenoviruses expressing LacZ or Rspo3 were administered into the
TR:TREATMENT_SUMMARY             	liver of standard diet-fed ob/ob mice through tail vein injection. Liver tissues
TR:TREATMENT_SUMMARY             	were taken on day 7 after adenovirus administration, subjected to the experiment
TR:TREATMENT_SUMMARY             	of metabolomics.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Approximately 40 mg of frozen liver tissues were placed in a homogenization
SP:SAMPLEPREP_SUMMARY            	tube, along with zirconia beads (5mmφ and 3mmφ). These tissues with internal
SP:SAMPLEPREP_SUMMARY            	standards were homogenized with ice-cold acetonitrile:water (50:50) and
SP:SAMPLEPREP_SUMMARY            	centrifuged at 2,300 × g for 5 min at 4 °C. The supernatant was filtered
SP:SAMPLEPREP_SUMMARY            	through a 5-kDa cut-off filter (Ultrafree-MC-PLHCC, Human Metabolome
SP:SAMPLEPREP_SUMMARY            	Technologies, Japan) at 9,100 × g for 180 min at 4 °C. The filtrate was
SP:SAMPLEPREP_SUMMARY            	evaporated to dryness under vacuum and reconstituted in 50 µL of Milli-Q water
SP:SAMPLEPREP_SUMMARY            	for metabolome analysis at HMT.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	CE
CH:INSTRUMENT_NAME               	Agilent 7100 CE
CH:COLUMN_NAME                   	Fused silica capillary i.d. 50 um x 80 cm
CH:SOLVENT_A                     	Cation Buffer Solution (p/n : H3301-1001)
CH:SOLVENT_B                     	N/A
CH:FLOW_GRADIENT                 	N/A
CH:FLOW_RATE                     	N/A
CH:COLUMN_TEMPERATURE            	N/A
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6230 TOF
MS:INSTRUMENT_TYPE               	TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using
MS:MS_COMMENTS                   	automatic integration software MasterHands (ver. 2.19.0.2 Keio University,
MS:MS_COMMENTS                   	Japan). Signal peaks corresponding to isotopomers, adduct ions, and other
MS:MS_COMMENTS                   	product ions of known metabolites were excluded, and remaining peaks were
MS:MS_COMMENTS                   	annotated with putative metabolites from the HMT metabolite database based on
MS:MS_COMMENTS                   	their migration times (MTs) and m/z values. The tolerance range for the peak
MS:MS_COMMENTS                   	annotation was configured at ±0.5 min for MT and ±10 ppm for m/z. In addition,
MS:MS_COMMENTS                   	peak areas were normalized against those of the internal standards and then the
MS:MS_COMMENTS                   	resultant relative area values were further normalized by sample amount.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	arbitrary unit
MS_METABOLITE_DATA_START
Samples	ob-LacZ-1	ob-LacZ-2	ob-LacZ-3	ob-LacZ-4	ob-Rspo3-1	ob-Rspo3-2	ob-Rspo3-3	ob-Rspo3-4									
Factors	Sample source:liver | Group:ob-LacZ	Sample source:liver | Group:ob-LacZ	Sample source:liver | Group:ob-LacZ	Sample source:liver | Group:ob-LacZ	Sample source:liver | Group:ob-Rspo3	Sample source:liver | Group:ob-Rspo3	Sample source:liver | Group:ob-Rspo3	Sample source:liver | Group:ob-Rspo3
Trimethylamine	1.0E-03	8.6E-04	1.7E-03	1.1E-03	1.0E-03	1.4E-03	1.3E-03	1.9E-03									
Urea	1.3E-01	1.3E-01	1.4E-01	1.4E-01	1.6E-01	1.7E-01	1.7E-01	1.9E-01									
Ethanolamine	2.0E-03	1.9E-03	2.3E-03	2.2E-03	3.0E-03	2.8E-03	2.8E-03	5.1E-03									
3-Aminopropionitrile	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.									
XC0001	3.8E-05	3.2E-05	N.D.	3.2E-05	4.6E-05	3.7E-05	5.3E-05	5.7E-05									
Aminoacetone	N.D.	N.D.	N.D.	N.D.	8.8E-04	1.1E-03	1.0E-03	1.8E-03									
Trimethylamine N-oxide	1.5E-03	1.4E-03	1.7E-03	3.4E-03	7.5E-04	2.3E-03	1.4E-03	1.9E-03									
Gly	1.2E-03	1.4E-03	1.3E-03	1.3E-03	2.3E-03	2.2E-03	2.3E-03	2.4E-03									
Morpholine	1.2E-04	1.3E-04	1.1E-04	N.D.	9.3E-05	N.D.	N.D.	9.4E-05									
Putrescine	1.3E-03	5.2E-04	8.8E-04	9.0E-04	2.3E-03	3.2E-03	1.6E-03	2.9E-03									
β-Ala	2.5E-03	2.4E-03	3.0E-03	3.0E-03	5.5E-03	4.4E-03	5.6E-03	8.3E-03									
Sarcosine	2.2E-03	2.6E-03	4.8E-03	1.8E-03	3.5E-03	1.7E-03	2.2E-03	2.9E-03									
Dimethylaminoethanol	N.D.	1.2E-04	1.7E-04	1.3E-04	1.4E-04	N.D.	N.D.	1.6E-04									
Ala	7.9E-03	7.4E-03	7.1E-03	7.2E-03	7.9E-03	9.3E-03	8.6E-03	9.0E-03									
Glycerol	2.7E-02	3.4E-02	3.7E-02	4.7E-02	4.7E-02	3.4E-02	4.2E-02	5.7E-02									
Cyclohexylamine	1.3E-04	9.7E-05	1.2E-04	1.5E-04	1.3E-04	1.3E-04	N.D.	N.D.									
Homoserinelactone	N.D.	N.D.	N.D.	N.D.	1.5E-04	1.6E-04	1.6E-04	2.0E-04									
Hexylamine	6.7E-05	7.6E-05	8.2E-05	7.5E-05	6.6E-05	6.6E-05	5.5E-05	5.4E-05									
GABA	1.3E-03	1.5E-03	1.1E-03	1.4E-03	1.6E-03	1.8E-03	1.5E-03	2.5E-03									
"N,N-Dimethylglycine"	1.9E-03	1.7E-03	2.5E-03	1.2E-03	5.1E-03	2.5E-03	2.8E-03	4.7E-03									
3-Aminobutyric acid	4.5E-04	5.1E-04	4.3E-04	4.3E-04	3.6E-04	3.4E-04	2.9E-04	3.2E-04									
2-Aminobutyric acid"	1.1E-03	1.1E-03	1.6E-03	8.8E-04	1.4E-03	1.6E-03	1.1E-03	1.8E-03									
3-Aminoisobutyric acid	3.9E-04	4.0E-04	3.1E-04	3.0E-04	7.1E-04	5.9E-04	4.6E-04	8.3E-04									
Choline	5.3E-02	4.2E-02	5.0E-02	5.0E-02	8.7E-02	7.5E-02	7.9E-02	1.1E-01									
"2,3-Diaminopropionic acid"	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.									
Ser	1.1E-02	9.2E-03	1.1E-02	1.3E-02	5.3E-02	4.2E-02	4.8E-02	7.6E-02									
Diethanolamine	4.4E-04	4.3E-04	4.4E-04	4.2E-04	1.4E-03	4.0E-04	5.4E-04	8.9E-04									
Hypotaurine	1.5E-03	1.5E-03	1.9E-03	1.8E-03	4.3E-03	2.2E-03	3.2E-03	3.4E-03									
Creatinine	2.0E-04	2.0E-04	1.7E-04	1.8E-04	3.4E-04	2.4E-04	2.6E-04	3.2E-04									
Pro	1.7E-02	1.4E-02	1.7E-02	1.4E-02	2.4E-02	2.5E-02	2.3E-02	3.9E-02									
Guanidoacetic acid	3.1E-04	2.9E-04	2.0E-04	2.7E-04	4.6E-04	4.6E-04	4.3E-04	4.6E-04									
Val	5.4E-02	5.8E-02	7.7E-02	6.7E-02	7.1E-02	7.2E-02	7.9E-02	1.1E-01									
Betaine	1.7E-02	9.8E-03	1.7E-02	1.3E-02	1.1E-01	3.7E-02	5.5E-02	9.7E-02									
5-Aminovaleric acid	5.4E-03	4.3E-03	4.9E-03	5.2E-03	6.1E-03	6.6E-03	5.6E-03	6.7E-03									
"2,4-Diaminobutyric acid"	4.9E-05	6.0E-05	N.D.	9.7E-05	1.5E-04	1.0E-04	1.8E-04	1.5E-04									
Homoserine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.									
2-Methylserine	N.D.	1.6E-04	N.D.	2.0E-04	3.4E-04	1.5E-04	2.5E-04	2.5E-04									
Thr	2.0E-02	1.8E-02	2.4E-02	2.3E-02	4.8E-02	4.5E-02	5.4E-02	6.5E-02									
Betaine aldehyde_+H2O	1.9E-03	9.0E-04	1.3E-03	1.6E-03	2.6E-03	3.6E-03	3.5E-03	6.8E-03									
Anserine_divalent	7.9E-05	6.4E-05	N.D.	N.D.	9.5E-05	5.2E-05	7.3E-05	7.5E-05									
Cys	8.1E-04	5.8E-04	6.4E-04	6.1E-04	1.1E-03	8.1E-04	8.5E-04	1.8E-03									
"2-Amino-2-(hydroxymethyl)-1,3-propanediol"	N.D.	N.D.	N.D.	N.D.	3.5E-03	N.D.	N.D.	N.D.									
2-Phenylethylamine	1.3E-04	N.D.	N.D.	N.D.	1.2E-04	1.3E-04	1.6E-04	1.7E-04									
Nicotinamide	9.6E-02	1.0E-01	9.2E-02	1.0E-01	8.7E-02	8.8E-02	9.3E-02	9.6E-02									
Nicotinic acid	7.6E-05	5.7E-05	N.D.	5.9E-05	N.D.	N.D.	4.1E-05	7.4E-05									
Taurine	1.2E-01	1.2E-01	1.3E-01	1.3E-01	1.3E-01	1.6E-01	1.2E-01	1.4E-01									
1-Methylhistamine	2.5E-05	2.1E-05	2.1E-05	N.D.	4.5E-05	2.8E-05	5.6E-05	4.7E-05									
3-Hydroxy-2-methyl-4-pyrone	2.7E-02	2.4E-02	2.0E-02	2.2E-02	1.5E-02	1.6E-02	1.7E-02	1.9E-02									
XC0016	5.2E-04	5.5E-04	4.6E-04	5.9E-04	6.2E-04	6.4E-04	6.8E-04	7.5E-04									
4-Oxopyrrolidine-2-carboxylic acid	1.9E-04	4.0E-04	N.D.	N.D.	8.5E-04	6.9E-04	7.2E-04	8.5E-04									
Pipecolic acid	1.1E-03	1.1E-03	1.4E-03	1.2E-03	1.0E-03	1.2E-03	1.1E-03	1.2E-03									
N-Acetylputrescine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.0E-05									
Hydroxyproline	5.2E-04	6.1E-04	4.7E-04	5.4E-04	1.3E-03	8.0E-04	9.6E-04	6.7E-04									
cis-4-Hydroxyproline	N.D.	8.5E-05	9.4E-05	1.2E-04	1.9E-04	1.9E-04	1.8E-04	3.0E-04									
3-Guanidinopropionic acid	5.2E-04	4.3E-04	4.5E-04	4.4E-04	4.8E-04	5.8E-04	4.6E-04	5.9E-04									
Creatine	1.1E-02	9.8E-03	6.7E-03	9.3E-03	2.5E-02	2.5E-02	2.4E-02	3.5E-02									
Leu	8.1E-02	7.3E-02	9.2E-02	7.9E-02	1.2E-01	1.3E-01	1.3E-01	1.9E-01									
Ile	3.7E-02	3.6E-02	4.9E-02	4.0E-02	4.8E-02	5.2E-02	5.6E-02	7.7E-02									
Asn	1.1E-02	1.1E-02	1.4E-02	1.3E-02	2.2E-02	2.2E-02	2.3E-02	3.7E-02									
Gly-Gly	5.4E-04	5.4E-04	5.3E-04	5.6E-04	1.0E-03	9.9E-04	9.6E-04	1.2E-03									
Ornithine	1.4E-02	1.4E-02	1.5E-02	1.7E-02	2.4E-02	2.2E-02	2.1E-02	3.6E-02									
Thiaproline	3.8E-04	3.7E-04	4.3E-04	3.9E-04	8.5E-04	7.7E-04	6.1E-04	1.1E-03									
Asp	7.6E-03	1.1E-02	7.8E-03	8.8E-03	2.8E-02	2.2E-02	2.3E-02	2.7E-02									
Adenine	5.5E-04	4.1E-04	3.9E-04	5.1E-04	4.6E-04	4.7E-04	3.8E-04	5.8E-04									
Hypoxanthine	9.2E-03	5.9E-03	6.3E-03	1.0E-02	1.6E-02	1.9E-02	1.5E-02	3.4E-02									
1-Methylnicotinamide	8.0E-04	6.2E-04	4.9E-04	7.0E-04	5.3E-04	7.0E-04	6.7E-04	8.5E-04									
Trigonelline	N.D.	9.0E-05	6.7E-05	1.5E-04	4.4E-04	1.5E-04	1.4E-04	1.5E-04									
Tyramine	5.6E-05	N.D.	N.D.	5.2E-05	6.2E-05	N.D.	N.D.	6.0E-05									
γ-Glu-Lys_divalent	N.D.	N.D.	2.1E-05	N.D.	5.1E-05	2.7E-05	3.9E-05	5.2E-05									
Urocanic acid	N.D.	N.D.	N.D.	N.D.	1.5E-04	N.D.	N.D.	N.D.									
1-Methyl-4-imidazoleacetic acid	9.2E-05	9.3E-05	8.7E-05	1.1E-04	8.0E-05	N.D.	N.D.	N.D.									
1H-Imidazole-4-propionic acid	N.D.	N.D.	N.D.	5.0E-05	7.7E-05	N.D.	1.3E-04	3.2E-04									
Hexamine	5.1E-05	4.1E-05	4.1E-05	4.4E-05	4.2E-05	3.5E-05	3.3E-05	4.9E-05									
Stachydrine	4.4E-04	4.7E-04	5.7E-04	5.5E-04	4.4E-03	1.3E-03	1.2E-03	2.2E-03									
4-Guanidinobutyric acid	1.3E-03	1.1E-03	9.9E-04	1.3E-03	3.2E-03	2.4E-03	1.8E-03	1.8E-03									
γ-Butyrobetaine	7.0E-04	1.0E-03	6.4E-04	6.7E-04	1.2E-03	7.8E-04	6.8E-04	8.7E-04									
Spermidine	8.9E-03	9.4E-03	8.8E-03	6.0E-03	9.8E-03	8.3E-03	8.5E-03	1.2E-02									
Lys	3.3E-02	2.9E-02	4.1E-02	3.4E-02	5.1E-02	6.1E-02	5.6E-02	9.1E-02									
2-Methylthiazolidine-4-carboxylic acid	1.1E-04	8.8E-05	1.2E-04	1.1E-04	2.8E-04	3.0E-04	2.2E-04	6.6E-04									
Glu	6.3E-02	8.2E-02	4.5E-02	7.4E-02	2.1E-01	1.7E-01	1.9E-01	2.2E-01									
Isoglutamic acid	1.1E-03	1.2E-03	1.4E-03	9.7E-04	2.2E-03	1.6E-03	4.2E-03	1.5E-03									
N-Acetylserine	N.D.	N.D.	N.D.	N.D.	N.D.	2.3E-04	2.7E-04	3.0E-04									
threo-β-Methylaspartic acid	N.D.	1.1E-04	N.D.	1.8E-04	1.5E-04	1.6E-04	1.8E-04	N.D.									
Gln	1.4E-02	1.6E-02	1.4E-02	1.5E-02	2.6E-02	2.5E-02	2.7E-02	2.5E-02									
Met	4.7E-03	3.5E-03	4.3E-03	4.8E-03	9.6E-03	9.5E-03	8.6E-03	1.8E-02									
Xanthine	8.1E-03	6.3E-03	6.2E-03	8.1E-03	1.2E-02	1.4E-02	1.2E-02	2.0E-02									
N1-Methyl-4-pyridone-5-carboxamide	N.D.	1.9E-04	2.8E-04	2.0E-04	1.6E-04	N.D.	N.D.	2.2E-04									
His	4.1E-02	4.4E-02	4.5E-02	4.4E-02	8.6E-02	8.2E-02	8.7E-02	9.1E-02									
Imidazolelactic acid	1.6E-04	1.8E-04	1.4E-04	1.8E-04	4.7E-04	3.8E-04	4.0E-04	3.5E-04									
Ala-Ala"	6.9E-04	6.6E-04	7.0E-04	8.5E-04	1.6E-03	1.3E-03	1.6E-03	1.6E-03									
N6-Methyllysine	3.2E-04	3.8E-04	3.8E-04	3.9E-04	1.0E-03	1.1E-03	1.0E-03	9.3E-04									
2-Aminoadipic acid"	9.6E-04	1.2E-03	1.3E-03	1.1E-03	3.1E-03	2.1E-03	2.2E-03	2.7E-03									
Carnitine	4.6E-02	3.5E-02	4.2E-02	4.4E-02	7.2E-02	6.9E-02	6.6E-02	8.1E-02									
5-Hydroxylysine	N.D.	N.D.	N.D.	N.D.	3.7E-05	4.1E-05	3.1E-05	3.2E-05									
S-Methylmethionine	6.4E-04	7.6E-04	7.6E-04	8.5E-04	1.6E-03	1.4E-03	1.8E-03	1.8E-03									
Phe	2.4E-02	2.1E-02	2.5E-02	2.3E-02	4.1E-02	4.1E-02	4.0E-02	6.8E-02									
Taurocyamine	2.7E-04	2.6E-04	N.D.	2.6E-04	2.5E-04	2.5E-04	3.0E-04	2.7E-04									
Pyridoxal	N.D.	5.3E-05	N.D.	N.D.	7.8E-05	5.9E-05	7.5E-05	1.1E-04									
Tyr-Arg_divalent	4.6E-05	6.4E-05	5.5E-05	4.4E-05	1.6E-04	1.0E-04	1.0E-04	1.4E-04									
6-Hydroxydopamine"	N.D.	N.D.	3.2E-05	N.D.	N.D.	N.D.	N.D.	N.D.									
3-Methylhistidine"	4.5E-04	6.0E-04	4.9E-04	5.4E-04	7.7E-04	8.1E-04	8.1E-04	8.3E-04									
XC0040	N.D.	N.D.	3.9E-05	N.D.	N.D.	N.D.	N.D.	N.D.									
N-Acetylornithine	1.9E-04	2.0E-04	1.8E-04	2.1E-04	5.1E-04	3.9E-04	3.7E-04	3.8E-04									
N5-Ethylglutamine	1.7E-04	1.5E-04	1.4E-04	1.5E-04	5.6E-04	5.3E-04	5.0E-04	4.7E-04									
Arg	4.4E-04	4.3E-04	3.9E-04	4.6E-04	2.5E-03	1.5E-03	1.3E-03	3.0E-03									
Guanidinosuccinic acid	1.7E-04	2.8E-04	1.8E-04	2.3E-04	5.9E-05	9.2E-05	N.D.	9.4E-05									
Citrulline	6.0E-04	6.8E-04	8.4E-04	9.5E-04	1.4E-03	8.1E-04	1.2E-03	1.2E-03									
Serotonin	1.0E-04	9.7E-05	1.7E-04	9.5E-05	1.2E-04	8.3E-05	1.1E-04	5.1E-05									
Gluconolactone	4.6E-03	4.8E-03	4.2E-03	4.1E-03	6.4E-03	5.2E-03	6.4E-03	6.4E-03									
Glucosamine	2.0E-03	1.6E-03	1.8E-03	1.8E-03	1.5E-03	1.8E-03	1.5E-03	2.8E-03									
Tyr	1.4E-02	1.1E-02	1.3E-02	1.4E-02	1.8E-02	1.9E-02	1.9E-02	3.0E-02									
Phosphorylcholine	2.5E-02	1.3E-02	2.7E-02	1.0E-02	4.3E-02	3.9E-02	3.8E-02	4.8E-02									
N8-Acetylspermidine	9.1E-05	6.2E-05	7.8E-05	5.8E-05	1.6E-04	1.4E-04	1.2E-04	1.5E-04									
N1-Acetylspermidine	4.6E-04	3.3E-04	4.7E-04	3.2E-04	6.3E-04	6.7E-04	6.6E-04	8.2E-04									
N-Acetyllysine	5.7E-04	6.0E-04	5.1E-04	5.3E-04	9.9E-04	8.1E-04	9.9E-04	8.5E-04									
Gly-Leu	2.7E-04	2.2E-04	3.0E-04	3.0E-04	7.8E-04	6.7E-04	7.3E-04	9.1E-04									
N6-Acetyllysine	N.D.	8.8E-05	9.9E-05	7.6E-05	7.4E-05	7.2E-05	7.4E-05	1.1E-04									
Homoarginine	N.D.	2.3E-05	N.D.	N.D.	5.1E-05	N.D.	N.D.	3.2E-05									
Nω-Methylarginine	N.D.	N.D.	N.D.	N.D.	8.1E-05	4.7E-05	6.7E-05	1.3E-04									
"N6,N6,N6-Trimethyllysine"	2.5E-04	2.7E-04	2.8E-04	2.6E-04	4.3E-04	3.8E-04	3.7E-04	5.3E-04									
Homocitrulline	4.8E-05	6.2E-05	6.8E-05	N.D.	1.1E-04	1.4E-04	1.5E-04	1.4E-04									
Gly-Asp	2.9E-04	2.6E-04	3.1E-04	2.7E-04	3.1E-04	3.7E-04	3.7E-04	4.1E-04									
"2,6-Diaminopimelic acid"	N.D.	N.D.	N.D.	N.D.	N.D.	2.5E-05	N.D.	N.D.									
N-Acetylhistidine	1.4E-04	1.9E-04	1.8E-04	1.9E-04	1.9E-04	1.9E-04	1.9E-04	1.7E-04									
SDMA	4.4E-05	4.6E-05	4.3E-05	4.6E-05	6.3E-05	6.3E-05	5.2E-05	1.2E-04									
ADMA	9.0E-05	7.4E-05	1.0E-04	9.7E-05	4.5E-04	3.7E-04	3.3E-04	9.4E-04									
Spermine	6.3E-04	9.3E-04	6.4E-04	5.8E-04	1.0E-03	4.8E-04	8.5E-04	1.2E-03									
O-Acetylcarnitine	2.4E-03	3.3E-03	1.8E-03	1.3E-03	9.0E-03	2.5E-03	2.6E-03	2.1E-03									
γ-Glu-Gly	2.2E-04	2.3E-04	1.4E-04	1.7E-04	4.9E-04	5.6E-04	5.9E-04	5.7E-04									
Trp	4.3E-03	4.0E-03	4.4E-03	3.6E-03	6.5E-03	6.2E-03	5.8E-03	7.6E-03									
Carboxymethyllysine	6.0E-05	7.1E-05	6.4E-05	6.4E-05	7.6E-05	7.8E-05	7.0E-05	7.8E-05									
Lipoamide	1.9E-04	2.0E-04	1.4E-04	2.0E-04	3.7E-04	3.5E-04	3.7E-04	3.3E-04									
Kynurenine	N.D.	N.D.	5.1E-05	N.D.	1.1E-04	6.8E-05	N.D.	2.2E-04									
XC0061"	4.8E-04	4.9E-04	4.1E-04	3.1E-04	1.1E-03	3.1E-04	4.2E-04	3.2E-04									
β-Ala-Lys	8.9E-04	1.2E-03	1.3E-03	1.0E-03	9.9E-04	9.4E-04	9.9E-04	8.2E-04									
γ-Glu-Ala	N.D.	N.D.	N.D.	N.D.	8.0E-05	8.7E-05	4.6E-05	8.7E-05									
5-Hydroxytryptophan	N.D.	3.3E-05	2.9E-05	N.D.	N.D.	N.D.	N.D.	N.D.									
N-Acetylglucosylamine	5.9E-05	N.D.	N.D.	N.D.	1.1E-04	1.0E-04	9.1E-05	1.9E-04									
N-Acetylmannosamine"	4.1E-04	3.4E-04	3.4E-04	3.7E-04	4.3E-04	4.7E-04	4.1E-04	7.0E-04									
Cystathionine	3.7E-04	4.5E-04	6.7E-04	4.1E-04	7.0E-04	4.1E-04	6.2E-04	5.6E-04									
2'-Deoxycytidine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.9E-05									
Ergothioneine	4.6E-03	2.1E-03	3.1E-03	1.5E-03	9.1E-03	5.2E-03	2.8E-03	7.2E-03									
Butyrylcarnitine	3.4E-04	2.4E-04	2.8E-04	2.3E-04	1.2E-03	5.9E-04	5.9E-04	6.1E-04									
Isobutyrylcarnitine	7.1E-05	7.3E-05	N.D.	N.D.	3.3E-04	1.2E-04	1.6E-04	2.0E-04									
XC0071	9.9E-05	9.2E-05	1.1E-04	9.7E-05	1.7E-04	1.9E-04	1.3E-04	1.8E-04									
Thr-Asp	6.7E-05	8.5E-05	7.7E-05	N.D.	3.5E-04	3.4E-04	3.5E-04	3.1E-04									
γ-Glu-Ser	3.9E-05	4.5E-05	N.D.	N.D.	1.1E-04	7.3E-05	1.1E-04	1.3E-04									
Ser-Glu	9.1E-05	7.2E-05	9.9E-05	1.2E-04	3.0E-04	2.2E-04	2.1E-04	2.3E-04									
"7,8-Dihydrobiopterin"	3.1E-05	5.7E-05	3.4E-05	4.8E-05	7.7E-05	8.6E-05	6.0E-05	7.9E-05									
Homocarnosine	N.D.	N.D.	N.D.	N.D.	1.6E-05	N.D.	N.D.	N.D.									
Thymidine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.									
Cytidine	1.1E-04	1.5E-04	1.0E-04	1.2E-04	1.9E-04	1.5E-04	2.1E-04	2.5E-04									
Uridine	4.0E-03	2.7E-03	2.9E-03	3.2E-03	5.9E-03	5.7E-03	5.6E-03	1.1E-02									
Isovalerylcarnitine	N.D.	N.D.	N.D.	N.D.	2.7E-04	1.9E-04	1.8E-04	2.5E-04									
γ-Glu-Val	4.6E-04	2.8E-04	1.9E-04	2.5E-04	2.8E-04	3.7E-04	4.4E-04	4.6E-04									
Malonylcarnitine	1.3E-04	1.6E-04	1.1E-04	1.4E-04	1.0E-04	7.9E-05	1.2E-04	9.6E-05									
Pyridoxamine 5'-phosphate	4.1E-04	4.7E-04	4.6E-04	4.4E-04	3.3E-04	3.8E-04	3.8E-04	4.7E-04									
γ-Glu-Thr	1.1E-04	1.2E-04	8.7E-05	9.3E-05	2.2E-04	3.6E-04	2.6E-04	2.2E-04									
γ-Glu-Cys	1.5E-03	1.3E-03	1.2E-03	1.2E-03	2.0E-03	1.9E-03	1.9E-03	2.7E-03									
XC0089	8.3E-05	6.4E-05	1.5E-04	7.7E-05	7.3E-05	6.2E-05	6.5E-05	1.2E-04									
XC0154	3.4E-03	3.7E-03	3.4E-03	4.1E-03	3.1E-03	2.5E-03	3.2E-03	3.5E-03									
Glycerophosphocholine	1.7E-02	1.2E-02	1.1E-02	1.2E-02	4.2E-02	2.3E-02	2.8E-02	2.0E-02									
γ-Glu-Leu"	6.0E-04	3.6E-04	3.4E-04	3.6E-04	4.2E-04	5.6E-04	6.0E-04	5.8E-04									
γ-Glu-Asn	1.9E-05	2.4E-05	3.0E-05	3.4E-05	5.1E-05	4.6E-05	6.5E-05	5.7E-05									
γ-Glu-Ornitine	4.7E-05	4.4E-05	3.1E-05	4.1E-05	7.5E-05	5.1E-05	7.6E-05	6.8E-05									
γ-Glu-Asp	6.8E-05	7.0E-05	8.2E-05	7.8E-05	1.1E-04	1.1E-04	1.2E-04	1.3E-04									
Thiamine	1.7E-03	1.5E-03	1.5E-03	2.1E-03	2.7E-03	3.1E-03	3.2E-03	4.2E-03									
Adenosine	5.5E-03	5.3E-03	4.9E-03	6.1E-03	6.4E-03	4.7E-03	6.2E-03	4.5E-03									
Inosine	4.1E-02	2.7E-02	3.0E-02	3.9E-02	5.4E-02	6.0E-02	5.0E-02	9.5E-02									
γ-Glu-Gln	1.6E-04	1.5E-04	6.8E-05	N.D.	5.2E-04	4.8E-04	3.5E-04	6.9E-04									
γ-Glu-Glu	4.7E-04	4.0E-04	3.9E-04	5.8E-04	6.8E-04	7.9E-04	8.3E-04	1.3E-03									
Glu-Glu	6.5E-05	5.5E-05	6.6E-05	5.0E-05	8.4E-05	6.1E-05	8.6E-05	8.8E-05									
Saccharopine	8.1E-04	7.8E-04	7.2E-04	7.4E-04	1.2E-03	9.5E-04	1.2E-03	1.3E-03									
N-(1-Deoxy-1-fructosyl)valine	1.8E-04	1.8E-04	2.5E-04	2.3E-04	1.5E-04	1.7E-04	1.7E-04	2.5E-04									
1-Methyladenosine	4.9E-05	5.3E-05	6.8E-05	6.3E-05	1.3E-04	1.1E-04	9.3E-05	1.6E-04									
Guanosine	7.7E-04	6.7E-04	6.3E-04	7.4E-04	1.5E-03	9.6E-04	1.0E-03	1.4E-03									
His-Glu	N.D.	N.D.	N.D.	N.D.	2.2E-05	N.D.	N.D.	5.1E-05									
γ-Glu-His	N.D.	N.D.	N.D.	N.D.	N.D.	4.1E-05	N.D.	N.D.									
Ophthalmic acid	1.3E-03	5.3E-04	5.0E-04	4.2E-04	1.1E-03	2.0E-03	1.2E-03	1.8E-03									
Argininosuccinic acid	1.5E-04	1.4E-04	1.2E-04	1.2E-04	6.1E-04	4.4E-04	4.5E-04	7.4E-04									
Aspartame	3.1E-05	3.2E-05	1.9E-05	2.4E-05	6.2E-05	4.9E-05	5.9E-05	6.5E-05									
γ-Glu-Phe	N.D.	N.D.	2.4E-05	N.D.	4.9E-05	5.4E-05	6.4E-05	7.6E-05									
5'-Deoxy-5'-methylthioadenosine	9.1E-05	8.2E-05	7.7E-05	7.6E-05	1.5E-04	1.0E-04	1.4E-04	1.6E-04									
Arg-Glu	4.2E-05	6.5E-05	6.6E-05	6.7E-05	1.4E-04	1.0E-04	1.3E-04	1.7E-04									
Glutathione (GSSG)_divalent	2.4E-02	3.7E-02	2.1E-02	3.2E-02	1.0E-01	5.9E-02	6.9E-02	8.3E-02									
Glutathione (GSH)	5.9E-02	5.6E-02	4.5E-02	5.8E-02	8.4E-02	7.7E-02	8.2E-02	8.5E-02									
XC0126	3.6E-04	4.3E-04	3.1E-04	4.0E-04	4.3E-04	4.0E-04	4.5E-04	5.6E-04									
Tyr-Glu	N.D.	4.6E-05	2.9E-05	4.7E-05	1.1E-04	9.4E-05	1.0E-04	1.0E-04									
S-Methylglutathione	9.0E-04	7.4E-04	8.2E-04	9.4E-04	1.3E-03	1.2E-03	1.2E-03	1.0E-03									
XC0132	3.6E-04	2.6E-04	2.9E-04	3.3E-04	8.9E-04	8.1E-04	7.8E-04	1.1E-03									
Ile-Pro-Pro	N.D.	N.D.	N.D.	N.D.	3.0E-05	3.0E-05	N.D.	2.3E-05									
NMN	1.3E-04	2.3E-04	1.8E-04	2.0E-04	6.0E-05	6.1E-05	7.9E-05	5.7E-05									
Thiamine phosphate	6.6E-04	7.2E-04	6.6E-04	8.4E-04	8.8E-04	7.3E-04	8.5E-04	9.7E-04									
XC0137	8.6E-05	1.4E-04	7.5E-05	9.5E-05	2.3E-04	7.5E-05	1.0E-04	4.9E-05									
Decarboxylated S-Adenosylmethionine	2.6E-05	N.D.	1.7E-05	1.8E-05	6.3E-05	4.7E-05	4.5E-05	9.2E-05									
Riboflavin	1.5E-04	1.7E-04	1.8E-04	1.7E-04	1.4E-04	1.7E-04	1.7E-04	2.0E-04									
S-Lactoylglutathione	1.4E-04	1.0E-04	1.0E-04	1.2E-04	3.0E-04	3.2E-04	3.6E-04	3.5E-04									
S-Adenosylhomocysteine	1.5E-03	1.8E-03	2.6E-03	1.4E-03	1.0E-03	8.4E-04	1.1E-03	1.4E-03									
S-Adenosylmethionine	2.8E-03	2.5E-03	2.1E-03	2.6E-03	3.6E-03	3.1E-03	3.8E-03	4.1E-03									
Cysteine glutathione disulfide	6.1E-05	1.7E-04	8.3E-05	1.1E-04	2.4E-04	1.2E-04	1.8E-04	1.9E-04									
Tetrahydrofolic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.									
5-Methyltetrahydrofolic acid	6.9E-05	2.8E-05	3.0E-05	4.9E-05	1.4E-04	1.7E-04	2.2E-04	2.6E-04					
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Trimethylamine
Urea
Ethanolamine
3-Aminopropionitrile
XC0001
Aminoacetone
Trimethylamine N-oxide
Gly
Morpholine
Putrescine
β-Ala
Sarcosine
Dimethylaminoethanol
Ala
Glycerol
Cyclohexylamine
Homoserinelactone
Hexylamine
GABA
"N,N-Dimethylglycine"
3-Aminobutyric acid
2-Aminobutyric acid"
3-Aminoisobutyric acid
Choline
"2,3-Diaminopropionic acid"
Ser
Diethanolamine
Hypotaurine
Creatinine
Pro
Guanidoacetic acid
Val
Betaine
5-Aminovaleric acid
"2,4-Diaminobutyric acid"
Homoserine
2-Methylserine
Thr
Betaine aldehyde_+H2O
Anserine_divalent
Cys
"2-Amino-2-(hydroxymethyl)-1,3-propanediol"
2-Phenylethylamine
Nicotinamide
Nicotinic acid
Taurine
1-Methylhistamine
3-Hydroxy-2-methyl-4-pyrone
XC0016
4-Oxopyrrolidine-2-carboxylic acid
Pipecolic acid
N-Acetylputrescine
Hydroxyproline
cis-4-Hydroxyproline
3-Guanidinopropionic acid
Creatine
Leu
Ile
Asn
Gly-Gly
Ornithine
Thiaproline
Asp
Adenine
Hypoxanthine
1-Methylnicotinamide
Trigonelline
Tyramine
γ-Glu-Lys_divalent
Urocanic acid
1-Methyl-4-imidazoleacetic acid
1H-Imidazole-4-propionic acid
Hexamine
Stachydrine
4-Guanidinobutyric acid
γ-Butyrobetaine
Spermidine
Lys
2-Methylthiazolidine-4-carboxylic acid
Glu
Isoglutamic acid
N-Acetylserine
threo-β-Methylaspartic acid
Gln
Met
Xanthine
N1-Methyl-4-pyridone-5-carboxamide
His
Imidazolelactic acid
Ala-Ala"
N6-Methyllysine
2-Aminoadipic acid"
Carnitine
5-Hydroxylysine
S-Methylmethionine
Phe
Taurocyamine
Pyridoxal
Tyr-Arg_divalent
6-Hydroxydopamine"
3-Methylhistidine"
XC0040
N-Acetylornithine
N5-Ethylglutamine
Arg
Guanidinosuccinic acid
Citrulline
Serotonin
Gluconolactone
Glucosamine
Tyr
Phosphorylcholine
N8-Acetylspermidine
N1-Acetylspermidine
N-Acetyllysine
Gly-Leu
N6-Acetyllysine
Homoarginine
Nω-Methylarginine
"N6,N6,N6-Trimethyllysine"
Homocitrulline
Gly-Asp
"2,6-Diaminopimelic acid"
N-Acetylhistidine
SDMA
ADMA
Spermine
O-Acetylcarnitine
γ-Glu-Gly
Trp
Carboxymethyllysine
Lipoamide
Kynurenine
XC0061"
β-Ala-Lys
γ-Glu-Ala
5-Hydroxytryptophan
N-Acetylglucosylamine
N-Acetylmannosamine"
Cystathionine
2'-Deoxycytidine
Ergothioneine
Butyrylcarnitine
Isobutyrylcarnitine
XC0071
Thr-Asp
γ-Glu-Ser
Ser-Glu
"7,8-Dihydrobiopterin"
Homocarnosine
Thymidine
Cytidine
Uridine
Isovalerylcarnitine
γ-Glu-Val
Malonylcarnitine
Pyridoxamine 5'-phosphate
γ-Glu-Thr
γ-Glu-Cys
XC0089
XC0154
Glycerophosphocholine
γ-Glu-Leu"
γ-Glu-Asn
γ-Glu-Ornitine
γ-Glu-Asp
Thiamine
Adenosine
Inosine
γ-Glu-Gln
γ-Glu-Glu
Glu-Glu
Saccharopine
N-(1-Deoxy-1-fructosyl)valine
1-Methyladenosine
Guanosine
His-Glu
γ-Glu-His
Ophthalmic acid
Argininosuccinic acid
Aspartame
γ-Glu-Phe
5'-Deoxy-5'-methylthioadenosine
Arg-Glu
Glutathione (GSSG)_divalent
Glutathione (GSH)
XC0126
Tyr-Glu
S-Methylglutathione
XC0132
Ile-Pro-Pro
NMN
Thiamine phosphate
XC0137
Decarboxylated S-Adenosylmethionine
Riboflavin
S-Lactoylglutathione
S-Adenosylhomocysteine
S-Adenosylmethionine
Cysteine glutathione disulfide
Tetrahydrofolic acid
5-Methyltetrahydrofolic acid
METABOLITES_END
#END