#METABOLOMICS WORKBENCH Mamo_O_20250120_181451 DATATRACK_ID:5550 STUDY_ID:ST003724 ANALYSIS_ID:AN006644 PROJECT_ID:PR002313
VERSION             	1
CREATED_ON             	July 6, 2025, 8:33 pm
#PROJECT
PR:PROJECT_TITLE                 	FoxO-dependent metabolomic changes in immobilization-induced muscle atrophy in
PR:PROJECT_TITLE                 	mice.
PR:PROJECT_SUMMARY               	To better understand the FoxO-dependent metabolic changes in skeletal muscle
PR:PROJECT_SUMMARY               	during immobilization, we performed a metabolomic analysis of skeletal muscle
PR:PROJECT_SUMMARY               	(gastrocnemius muscle) from control and 11-day immobilized 4-month-old WT
PR:PROJECT_SUMMARY               	(FoxO1,3,4flox/flox) male mice and age-matched mFoxO1,3,4-/- male mice using
PR:PROJECT_SUMMARY               	CE-TOFMS.
PR:INSTITUTE                     	Kyoto Prefectural University
PR:LAST_NAME                     	Kamei
PR:FIRST_NAME                    	Yasutomi
PR:ADDRESS                       	1-5 Hangi-cho, Shimogamo, Sakyo-ku, Kyoto, Kyoto, 606-8522, Japan
PR:EMAIL                         	oyabu0507@gmail.com
PR:PHONE                         	+81-75-703-5661
#STUDY
ST:STUDY_TITLE                   	Metabolomic analysis of skeletal muscle from control WT, immobilized WT, control
ST:STUDY_TITLE                   	mFoxO1,3,4-/- and immobilized mFoxO1,3,4-/- mice.
ST:STUDY_SUMMARY                 	The Forkhead box O (FoxO) transcription factors have been reported to be
ST:STUDY_SUMMARY                 	critical factors for muscle atrophy in a variety of pathological and
ST:STUDY_SUMMARY                 	physiological conditions, and triple-knockout of FoxO1,3,4 prevented
ST:STUDY_SUMMARY                 	immobilization-induced muscle atrophy in mice. To better understand the
ST:STUDY_SUMMARY                 	FoxO-dependent metabolic changes in skeletal muscle during immobilization, we
ST:STUDY_SUMMARY                 	performed a metabolomic analysis of skeletal muscle (gastrocnemius muscle) from
ST:STUDY_SUMMARY                 	control and 11-day immobilized 4-month-old WT (FoxO1,3,4flox/flox) male mice and
ST:STUDY_SUMMARY                 	age-matched mFoxO1,3,4-/- male mice using CE-TOFMS. Our data show that triple
ST:STUDY_SUMMARY                 	knockout of FoxO1,3,4 prevented the metabolomic remodeling in skeletal muscles
ST:STUDY_SUMMARY                 	caused by immobilization.
ST:INSTITUTE                     	Kyoto Prefectural University
ST:LAST_NAME                     	Kamei
ST:FIRST_NAME                    	Yasutomi
ST:ADDRESS                       	1-5 Hangi-cho, Shimogamo, Sakyo-ku, Kyoto, Kyoto, 606-8522, Japan
ST:EMAIL                         	oyabu0507@gmail.com
ST:PHONE                         	+81-75-703-5661
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	B6-129SvJ mixed with C57BL/6J
SU:AGE_OR_AGE_RANGE              	4-month-old
SU:WEIGHT_OR_WEIGHT_RANGE        	46.64 g, 43.45 g, 37.64 g, and 33.4 g for control WT (FoxO1,3,4flox/flox) mice
SU:WEIGHT_OR_WEIGHT_RANGE        	(n = 4), 36.72 g, 30.92 g, 30.86 g, 30.57 g, and 28.74 g for immobilized WT
SU:WEIGHT_OR_WEIGHT_RANGE        	(FoxO1,3,4flox/flox) mice (n = 5), 42.79 g, 40.88 g, 37.59 g, and 34.91 g for
SU:WEIGHT_OR_WEIGHT_RANGE        	control mFoxO1,3,4-/- mice (n = 4), and 38.09 g, 34.42 g, 34.09 g, 32.69 g, and
SU:WEIGHT_OR_WEIGHT_RANGE        	30.52 g for immobilized mFoxO1,3,4-/- mice (n = 5).
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	CLEA Japan (Tokyo, Japan)
SU:ANIMAL_LIGHT_CYCLE            	12-h light-dark cycle
SU:ANIMAL_FEED                   	CE2
SU:SPECIES_GROUP                 	Mammals
#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           	001	WT-Cont-1	Group:WT-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_001_WT-Cont-1_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_001_WT-Cont-1_d2.mzML
SUBJECT_SAMPLE_FACTORS           	002	WT-Cont-2	Group:WT-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_002_WT-Cont-2_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_002_WT-Cont-2_d2.mzML
SUBJECT_SAMPLE_FACTORS           	003	WT-Cont-3	Group:WT-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_003_WT-Cont-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_003_WT-Cont-3_d2.mzML
SUBJECT_SAMPLE_FACTORS           	004	WT-Cont-4	Group:WT-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_004_WT-Cont-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_004_WT-Cont-4_d2.mzML
SUBJECT_SAMPLE_FACTORS           	005	WT-IM11-1	Group:WT-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Immobilization | Time:11 days	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_005_WT-IM11-1_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_005_WT-IM11-1_d2.mzML
SUBJECT_SAMPLE_FACTORS           	006	WT-IM11-2	Group:WT-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Immobilization | Time:11 days	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_006_WT-IM11-2_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_006_WT-IM11-2_d2.mzML
SUBJECT_SAMPLE_FACTORS           	007	WT-IM11-3	Group:WT-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Immobilization | Time:11 days	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_007_WT-IM11-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_007_WT-IM11-3_d2.mzML
SUBJECT_SAMPLE_FACTORS           	008	WT-IM11-4	Group:WT-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Immobilization | Time:11 days	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_008_WT-IM11-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_008_WT-IM11-4_d2.mzML
SUBJECT_SAMPLE_FACTORS           	009	WT-IM11-5	Group:WT-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Immobilization | Time:11 days	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_009_WT-IM11-5_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_009_WT-IM11-5_d2.mzML
SUBJECT_SAMPLE_FACTORS           	010	TKO-Cont-1	Group:TKO-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_010_TKO-Cont-1_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_010_TKO-Cont-1_d2.mzML
SUBJECT_SAMPLE_FACTORS           	011	TKO-Cont-2	Group:TKO-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_011_TKO-Cont-2_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_011_TKO-Cont-2_d2.mzML
SUBJECT_SAMPLE_FACTORS           	012	TKO-Cont-3	Group:TKO-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_012_TKO-Cont-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_012_TKO-Cont-3_d2.mzML
SUBJECT_SAMPLE_FACTORS           	013	TKO-Cont-4	Group:TKO-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_013_TKO-Cont-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_013_TKO-Cont-4_d2.mzML
SUBJECT_SAMPLE_FACTORS           	014	TKO-IM11-1	Group:TKO-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Immobilization | Time:11 days	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_014_TKO-IM11-1_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_014_TKO-IM11-1_d2.mzML
SUBJECT_SAMPLE_FACTORS           	015	TKO-IM11-2	Group:TKO-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Immobilization | Time:11 days	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_015_TKO-IM11-2_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_015_TKO-IM11-2_d2.mzML
SUBJECT_SAMPLE_FACTORS           	016	TKO-IM11-3	Group:TKO-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Immobilization | Time:11 days	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_016_TKO-IM11-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_016_TKO-IM11-3_d2.mzML
SUBJECT_SAMPLE_FACTORS           	017	TKO-IM11-4	Group:TKO-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Immobilization | Time:11 days	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_017_TKO-IM11-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_017_TKO-IM11-4_d2.mzML
SUBJECT_SAMPLE_FACTORS           	018	TKO-IM11-5	Group:TKO-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Immobilization | Time:11 days	RAW_FILE_NAME(raw data file name_anion)=KPUUB019-1_A_20240717_018_TKO-IM11-5_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB019-1_C_20240719_018_TKO-IM11-5_d2.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Gastrocnemius muscles from control and 11-day immobilized 4-month-old WT
CO:COLLECTION_SUMMARY            	(FoxO1,3,4flox/flox) male mice and age-matched mFoxO1,3,4-/- male mice were
CO:COLLECTION_SUMMARY            	collected and snap frozen in liquid nitrogen (n = 4–5 mice/group).
CO:SAMPLE_TYPE                   	Muscle
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	To create the immobilized model of mFoxO1,3,4-/- (triple-knockout: TKO) and
TR:TREATMENT_SUMMARY             	control FoxO1,3,4flox/flox (wild-type: WT) male mice, we immobilized the right
TR:TREATMENT_SUMMARY             	hindlimb of the mouse using a plastic tube and an appropriately sized 200 μL
TR:TREATMENT_SUMMARY             	pipette tip (strong cyanoacrylate mini was used for adhesion; only a portion of
TR:TREATMENT_SUMMARY             	the 200-μL pipette tip was glued to the leg to avoid pressure). This procedure
TR:TREATMENT_SUMMARY             	prevented movement of the immobilized leg alone.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Gastrocnemius muscles and 750 μL of 50% acetonitrile solution (v/v) (internal
SP:SAMPLEPREP_SUMMARY            	standard concentration: 20 μM) were added to the crushing tubes, and the sample
SP:SAMPLEPREP_SUMMARY            	was crushed (3,500 rpm, 60 sec × 2 times) using a crusher under cooling, and
SP:SAMPLEPREP_SUMMARY            	then the same volume of 50% acetonitrile solution (v/v) was further added. After
SP:SAMPLEPREP_SUMMARY            	the tissue was crushed, centrifugation (2,300 × g, 4°C, 5 min) was performed.
SP:SAMPLEPREP_SUMMARY            	After centrifugation, the supernatant was transferred to an ultrafiltration tube
SP:SAMPLEPREP_SUMMARY            	(Ultrafree MC PLHCC, HMT, centrifugal filter unit 5 kDa). This was centrifuged
SP:SAMPLEPREP_SUMMARY            	(9,100 × g, 4°C, 120 min) and subjected to ultrafiltration. The filtrate was
SP:SAMPLEPREP_SUMMARY            	dried and resuspended in Milli-Q water for metabolome analyses at Human
SP:SAMPLEPREP_SUMMARY            	Metabolome Technologies (HMT).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The column used has a model number TSP050375 from Polymicro Technologies.
CH:CHROMATOGRAPHY_SUMMARY        	Specifically, this item was purchased and then cut and processed for use.
CH:CHROMATOGRAPHY_TYPE           	CE
CH:INSTRUMENT_NAME               	Agilent 7100 CE
CH:COLUMN_NAME                   	Fused silica capillary i.d. 50 μm 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                   	CE-TOFMS(Basic) positive(Cation) mode Run buffer: Cation Buffer Solution (p/n :
MS:MS_COMMENTS                   	H3301-1001) Rinse buffer: Cation Buffer Solution (p/n : H3301-1001) Sample
MS:MS_COMMENTS                   	injection: Pressure injection 50 mbar, 5 sec CE voltage: Positive, 30 kV MS
MS:MS_COMMENTS                   	ionization: ESI Positive MS capillary voltage: 4,000 V MS scan range: m/z
MS:MS_COMMENTS                   	50-1,000 Sheath liquid: HMT Sheath Liquid (p/n : H3301-1020)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	arbitrary unit
MS_METABOLITE_DATA_START
Samples	WT-Cont-1	WT-Cont-2	WT-Cont-3	WT-Cont-4	WT-IM11-1	WT-IM11-2	WT-IM11-3	WT-IM11-4	WT-IM11-5	TKO-Cont-1	TKO-Cont-2	TKO-Cont-3	TKO-Cont-4	TKO-IM11-1	TKO-IM11-2	TKO-IM11-3	TKO-IM11-4	TKO-IM11-5										
Factors	Group:WT-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Control | Time:-	Group:WT-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Control | Time:-	Group:WT-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Control | Time:-	Group:WT-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Control | Time:-	Group:WT-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Immobilization | Time:11 days	Group:WT-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Immobilization | Time:11 days	Group:WT-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Immobilization | Time:11 days	Group:WT-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Immobilization | Time:11 days	Group:WT-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4flox/flox | Treatment:Immobilization | Time:11 days	Group:TKO-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Control | Time:-	Group:TKO-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Control | Time:-	Group:TKO-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Control | Time:-	Group:TKO-Control | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Control | Time:-	Group:TKO-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Immobilization | Time:11 days	Group:TKO-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Immobilization | Time:11 days	Group:TKO-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Immobilization | Time:11 days	Group:TKO-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Immobilization | Time:11 days	Group:TKO-IM11 | Sample source:Gastrocnemius muscle | Genotype:FoxO1,3,4-/- | Treatment:Immobilization | Time:11 days
Trimethylamine	N.D.	7.6E-04	8.8E-04	N.D.	N.D.	N.D.	N.D.	2.7E-04	N.D.	N.D.	N.D.	N.D.	3.5E-04	5.9E-04	N.D.	N.D.	N.D.	N.D.										
Urea	2.5E-01	3.1E-01	3.2E-01	2.6E-01	2.1E-01	2.2E-01	1.9E-01	2.1E-01	2.3E-01	2.8E-01	2.5E-01	3.7E-01	3.1E-01	2.5E-01	2.2E-01	2.1E-01	2.6E-01	2.2E-01										
Ethanolamine	1.8E-03	1.4E-03	1.8E-03	1.5E-03	2.0E-03	1.6E-03	2.3E-03	1.7E-03	1.8E-03	1.7E-03	1.9E-03	1.6E-03	1.6E-03	1.7E-03	1.8E-03	1.7E-03	1.7E-03	2.0E-03										
3-Aminopropionitrile	N.D.	N.D.	N.D.	N.D.	2.8E-05	2.5E-05	2.6E-05	N.D.	N.D.	3.3E-05	N.D.	3.8E-05	4.0E-05	N.D.	N.D.	N.D.	N.D.	3.5E-05										
Gly	6.0E-02	7.6E-02	9.3E-02	7.6E-02	5.6E-02	4.4E-02	7.6E-02	5.3E-02	5.9E-02	8.1E-02	8.2E-02	6.9E-02	6.4E-02	5.5E-02	5.0E-02	6.3E-02	4.5E-02	4.2E-02										
Trimethylamine N-oxide	4.3E-04	4.5E-04	7.1E-04	4.8E-04	2.7E-04	4.4E-04	5.4E-04	4.7E-04	5.7E-04	3.7E-04	4.0E-04	6.3E-04	5.9E-04	6.3E-04	5.3E-04	5.7E-04	3.9E-04	6.3E-04										
Putrescine	2.8E-05	8.6E-05	1.3E-04	6.6E-05	1.6E-04	1.3E-04	3.8E-04	1.3E-04	1.1E-04	5.4E-05	6.4E-05	8.2E-05	8.9E-05	1.3E-04	1.4E-04	2.0E-04	1.0E-04	4.2E-04										
Sarcosine	1.1E-03	2.0E-03	9.6E-04	1.2E-03	5.3E-04	7.9E-04	2.3E-04	N.D.	8.3E-04	9.5E-04	1.1E-03	1.3E-03	7.3E-04	5.4E-04	6.8E-04	7.4E-04	9.1E-04	5.4E-04										
β-Ala	7.1E-03	5.8E-03	1.0E-02	8.2E-03	8.6E-03	1.0E-02	7.8E-03	1.1E-02	1.6E-02	2.4E-03	2.6E-03	2.6E-03	2.1E-03	2.4E-03	2.2E-03	3.2E-03	4.7E-03	2.0E-03										
Ala	1.1E-01	1.4E-01	1.4E-01	1.2E-01	1.1E-01	7.4E-02	1.0E-01	9.8E-02	1.2E-01	1.4E-01	9.9E-02	1.4E-01	1.2E-01	9.9E-02	7.9E-02	9.6E-02	9.3E-02	1.0E-01										
Dimethylaminoethanol	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	8.7E-05	N.D.	1.4E-04	N.D.	N.D.	N.D.	N.D.										
Glycerol	1.8E-02	3.1E-02	4.0E-02	2.7E-02	5.0E-02	3.7E-02	3.8E-02	5.9E-02	3.5E-02	2.9E-02	2.3E-02	4.3E-02	5.9E-02	2.3E-02	5.2E-02	1.5E-02	2.0E-02	3.9E-02										
"N,N-Dimethylglycine"	6.8E-04	8.9E-04	7.7E-04	4.9E-04	5.7E-04	5.6E-04	5.0E-04	5.1E-04	5.3E-04	8.3E-04	5.8E-04	7.1E-04	6.8E-04	5.7E-04	5.7E-04	5.0E-04	6.9E-04	5.9E-04										
2-Aminobutyric acid	6.6E-04	1.1E-03	8.7E-04	8.9E-04	6.6E-04	6.5E-04	6.0E-04	7.9E-04	6.8E-04	6.9E-04	9.2E-04	1.3E-03	7.3E-04	7.0E-04	6.4E-04	7.9E-04	7.7E-04	6.4E-04										
GABA	2.5E-04	3.3E-04	2.1E-04	N.D.	1.6E-04	2.0E-04	N.D.	1.9E-04	2.5E-04	4.0E-04	3.6E-04	2.7E-04	3.7E-04	3.4E-04	2.9E-04	1.8E-04	2.1E-04	2.1E-04										
Choline	5.1E-03	4.0E-03	5.6E-03	6.9E-03	8.0E-03	6.3E-03	1.2E-02	5.4E-03	1.4E-02	3.7E-03	8.5E-03	4.1E-03	6.6E-03	8.3E-03	9.6E-03	6.6E-03	7.0E-03	4.6E-03										
Ser	1.0E-02	9.0E-03	1.4E-02	1.3E-02	1.2E-02	9.4E-03	1.6E-02	1.1E-02	1.3E-02	1.2E-02	1.2E-02	1.1E-02	1.2E-02	9.4E-03	1.1E-02	1.3E-02	1.0E-02	8.8E-03										
Diethanolamine	2.7E-04	2.7E-04	3.7E-04	2.9E-04	5.8E-04	1.8E-04	2.5E-04	4.3E-04	2.1E-04	N.D.	N.D.	4.6E-04	8.8E-04	2.6E-04	3.8E-04	N.D.	1.9E-04	3.1E-04										
Hypotaurine	3.1E-03	3.8E-03	3.8E-03	4.1E-03	2.3E-03	2.2E-03	2.1E-03	2.3E-03	3.7E-03	3.2E-03	3.0E-03	3.3E-03	3.2E-03	3.3E-03	2.3E-03	3.1E-03	5.0E-03	2.8E-03										
Cytosine	N.D.	N.D.	6.2E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	6.1E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Histamine	1.5E-03	2.0E-03	2.1E-03	1.8E-03	2.0E-03	2.6E-03	2.6E-03	2.4E-03	1.9E-03	2.0E-03	2.4E-03	1.9E-03	1.5E-03	2.5E-03	1.9E-03	2.0E-03	1.4E-03	1.8E-03										
Creatinine	6.5E-03	6.6E-03	7.8E-03	5.9E-03	5.1E-03	5.4E-03	3.9E-03	5.0E-03	4.6E-03	7.1E-03	5.2E-03	7.5E-03	5.9E-03	5.7E-03	5.0E-03	5.4E-03	5.9E-03	5.4E-03										
3-Amino-2-piperidone	N.D.	N.D.	5.3E-05	5.3E-05	N.D.	N.D.	N.D.	6.3E-05	N.D.	N.D.	N.D.	3.7E-05	N.D.	6.8E-05	6.2E-05	N.D.	N.D.	N.D.										
Pro	1.6E-02	2.7E-02	2.5E-02	2.0E-02	2.5E-02	1.7E-02	3.9E-02	2.4E-02	2.7E-02	2.5E-02	2.0E-02	2.3E-02	2.3E-02	3.0E-02	2.5E-02	2.9E-02	2.5E-02	2.9E-02										
Guanidoacetic acid	2.7E-04	2.9E-04	4.1E-04	3.4E-04	4.5E-04	3.8E-04	7.4E-04	3.1E-04	4.7E-04	3.2E-04	3.7E-04	5.2E-04	3.9E-04	6.3E-04	3.8E-04	4.2E-04	4.9E-04	5.3E-04										
Betaine	7.8E-03	9.4E-03	9.0E-03	8.9E-03	1.1E-02	1.0E-02	9.1E-03	1.0E-02	9.7E-03	1.1E-02	9.0E-03	1.2E-02	7.2E-03	1.0E-02	1.1E-02	8.9E-03	1.2E-02	1.1E-02										
Val	3.5E-02	4.9E-02	4.0E-02	3.7E-02	3.7E-02	3.2E-02	4.1E-02	3.8E-02	3.9E-02	4.6E-02	3.6E-02	4.1E-02	4.0E-02	5.0E-02	3.6E-02	4.0E-02	4.1E-02	3.7E-02										
Homoserine	2.0E-04	1.9E-04	N.D.	2.0E-04	1.3E-04	N.D.	N.D.	N.D.	N.D.	2.9E-04	1.6E-04	2.6E-04	2.0E-04	1.3E-04	N.D.	N.D.	N.D.	N.D.										
Thr	1.9E-02	1.8E-02	2.3E-02	2.0E-02	1.9E-02	1.4E-02	2.4E-02	1.8E-02	1.8E-02	1.9E-02	1.7E-02	1.9E-02	2.3E-02	1.7E-02	1.7E-02	1.9E-02	1.7E-02	1.4E-02										
Anserine_divalent	5.6E-01	5.0E-01	5.2E-01	5.5E-01	6.1E-01	5.8E-01	6.4E-01	6.4E-01	6.0E-01	5.2E-01	4.9E-01	5.3E-01	5.0E-01	5.9E-01	5.3E-01	6.7E-01	5.9E-01	4.8E-01										
Nicotinamide"	1.1E-02	1.6E-02	1.9E-02	1.2E-02	1.7E-02	1.1E-02	1.4E-02	1.3E-02	1.9E-02	7.5E-03	8.9E-03	1.1E-02	1.1E-02	1.8E-02	1.2E-02	1.2E-02	9.1E-03	8.8E-03										
Taurine	2.8E-01	2.7E-01	2.8E-01	2.8E-01	2.6E-01	2.6E-01	2.5E-01	2.7E-01	2.8E-01	2.9E-01	2.9E-01	2.9E-01	2.8E-01	2.7E-01	2.8E-01	2.9E-01	2.8E-01	2.9E-01										
1-Methylhistamine	3.5E-05	3.6E-05	6.4E-05	5.4E-05	1.1E-04	7.1E-05	8.7E-05	4.7E-05	1.1E-04	4.6E-05	N.D.	4.1E-05	4.1E-05	8.3E-05	4.9E-05	6.7E-05	2.6E-05	3.3E-05										
"5-Amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid"	3.7E-04	3.3E-04	3.8E-04	3.7E-04	1.8E-04	2.4E-04	1.2E-04	2.2E-04	2.0E-04	6.0E-04	5.5E-04	5.5E-04	5.7E-04	3.4E-04	4.0E-04	3.8E-04	3.9E-04	2.9E-04										
4-Oxopyrrolidine-2-carboxylic acid	4.4E-04	5.1E-04	3.9E-04	4.2E-04	3.8E-04	4.8E-04	4.5E-04	4.2E-04	5.1E-04	5.6E-04	8.8E-04	7.1E-04	8.3E-04	6.8E-04	8.0E-04	9.6E-04	7.0E-04	7.3E-04										
Pipecolic acid	1.2E-03	1.4E-03	1.2E-03	1.2E-03	6.7E-04	7.9E-04	8.6E-04	7.0E-04	7.8E-04	1.2E-03	1.6E-03	1.7E-03	1.4E-03	1.1E-03	1.0E-03	1.2E-03	1.0E-03	7.0E-04										
Hydroxyproline	1.3E-02	2.0E-02	2.1E-02	1.6E-02	6.1E-03	6.0E-03	2.7E-03	3.1E-03	6.0E-03	2.1E-02	2.1E-02	1.6E-02	1.4E-02	6.5E-03	6.6E-03	6.5E-03	7.4E-03	2.3E-03										
Creatine	1.0E+00	1.2E+00	1.2E+00	1.2E+00	1.1E+00	1.1E+00	1.1E+00	1.2E+00	1.1E+00	1.1E+00	1.2E+00	1.2E+00	1.2E+00	1.1E+00	1.1E+00	1.2E+00	1.0E+00	1.1E+00										
Ile	1.7E-02	2.2E-02	1.8E-02	1.8E-02	1.8E-02	1.5E-02	2.4E-02	1.9E-02	2.3E-02	2.9E-02	1.9E-02	1.9E-02	1.9E-02	2.4E-02	2.1E-02	2.2E-02	2.3E-02	2.1E-02										
Leu	2.7E-02	3.3E-02	2.6E-02	2.6E-02	3.0E-02	2.5E-02	4.0E-02	3.2E-02	3.6E-02	4.0E-02	2.6E-02	2.9E-02	3.1E-02	3.8E-02	3.1E-02	3.4E-02	3.3E-02	3.1E-02										
6-Aminohexanoic acid	2.7E-04	3.7E-04	6.8E-04	4.2E-04	N.D.	2.3E-04	N.D.	1.1E-04	1.7E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Gly-Gly	1.2E-04	1.4E-04	1.5E-04	1.8E-04	1.7E-04	1.7E-04	3.4E-04	2.4E-04	2.4E-04	1.4E-04	1.6E-04	N.D.	1.7E-04	1.8E-04	1.8E-04	2.0E-04	1.5E-04	1.9E-04										
Asn	2.4E-03	2.6E-03	3.9E-03	3.8E-03	4.2E-03	2.9E-03	6.8E-03	3.9E-03	4.7E-03	2.8E-03	3.2E-03	2.7E-03	3.6E-03	3.2E-03	3.7E-03	4.2E-03	3.2E-03	2.8E-03										
Ornithine	9.2E-04	1.3E-03	1.3E-03	9.3E-04	1.1E-03	7.2E-04	9.9E-04	1.2E-03	9.7E-04	1.6E-03	7.9E-04	1.3E-03	1.9E-03	1.3E-03	8.5E-04	9.5E-04	1.2E-03	7.6E-04										
Thiaproline	7.8E-05	8.2E-05	1.9E-04	1.1E-04	2.6E-04	1.4E-04	3.9E-04	1.8E-04	1.2E-04	1.4E-04	1.2E-04	8.1E-05	1.0E-04	1.6E-04	1.5E-04	9.1E-05	6.4E-05	1.2E-04										
Asp	8.4E-03	8.7E-03	7.8E-03	1.1E-02	1.2E-02	1.1E-02	9.6E-03	1.3E-02	1.5E-02	7.5E-03	8.4E-03	9.5E-03	9.8E-03	9.2E-03	8.1E-03	1.1E-02	1.1E-02	7.1E-03										
Adenine	7.1E-04	4.6E-04	3.2E-04	8.4E-04	4.6E-04	6.8E-04	7.8E-04	4.8E-04	9.4E-04	8.4E-04	7.8E-04	9.1E-04	8.4E-04	5.3E-04	7.3E-04	7.0E-04	1.1E-03	8.3E-04										
Hypoxanthine	4.7E-04	9.3E-04	1.1E-03	6.8E-04	1.9E-03	1.6E-03	1.5E-03	1.2E-03	1.6E-03	7.2E-04	7.7E-04	8.7E-04	1.2E-03	1.8E-03	1.7E-03	1.3E-03	9.2E-04	9.8E-04										
1-Methylnicotinamide	6.0E-05	5.4E-05	5.6E-05	4.5E-05	1.7E-04	1.2E-04	1.7E-04	1.2E-04	8.6E-05	8.8E-05	6.3E-05	5.9E-05	7.0E-05	1.7E-04	8.3E-05	1.3E-04	5.9E-05	1.3E-04										
Trigonelline	4.0E-04	6.2E-04	4.6E-04	3.6E-04	3.6E-04	4.0E-04	4.0E-04	4.4E-04	3.7E-04	4.6E-04	3.8E-04	5.2E-04	5.4E-04	5.4E-04	4.1E-04	3.3E-04	5.2E-04	5.2E-04										
Tyramine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.9E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
γ-Glu-Lys_divalent	N.D.	1.4E-05	1.9E-05	3.9E-05	4.5E-05	N.D.	2.7E-05	3.6E-05	N.D.	1.3E-05	N.D.	4.0E-05	N.D.	N.D.	1.7E-05	N.D.	N.D.	N.D.										
Urocanic acid	7.0E-05	1.3E-04	4.7E-04	2.2E-04	1.6E-04	3.2E-04	1.8E-04	2.4E-04	3.5E-04	3.9E-04	2.0E-04	2.9E-04	2.3E-04	4.3E-04	4.5E-04	3.2E-04	1.8E-04	2.8E-04										
1H-Imidazole-4-propionic acid	4.6E-05	2.5E-05	N.D.	6.1E-05	N.D.	N.D.	3.5E-05	1.2E-05	N.D.	4.3E-05	N.D.	1.2E-04	4.7E-05	N.D.	N.D.	N.D.	2.2E-05	N.D.										
1-Methyl-4-imidazoleacetic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.4E-05	N.D.	N.D.	6.3E-05	N.D.	9.1E-05	3.0E-05	4.0E-05	3.8E-05	N.D.	3.6E-05	N.D.										
Ectoine	N.D.	5.5E-05	N.D.	3.9E-05	8.1E-05	8.1E-05	7.3E-05	N.D.	N.D.	8.6E-05	N.D.	N.D.	N.D.	1.1E-04	9.8E-05	7.0E-05	8.8E-05	N.D.										
Stachydrine	2.0E-03	2.6E-03	1.8E-03	1.8E-03	2.0E-03	1.8E-03	1.6E-03	1.6E-03	1.5E-03	2.7E-03	2.1E-03	2.3E-03	1.5E-03	2.0E-03	1.7E-03	1.5E-03	2.1E-03	2.0E-03										
4-Guanidinobutyric acid	1.6E-04	1.5E-04	1.6E-04	1.2E-04	9.7E-05	9.1E-05	N.D.	N.D.	N.D.	2.4E-04	2.0E-04	3.1E-04	2.6E-04	2.8E-04	1.1E-04	1.5E-04	1.3E-04	1.7E-04										
γ-Butyrobetaine	1.6E-03	1.9E-03	1.6E-03	1.7E-03	1.6E-03	1.8E-03	2.3E-03	1.9E-03	2.4E-03	2.8E-03	3.0E-03	3.7E-03	2.8E-03	3.3E-03	3.0E-03	3.3E-03	3.4E-03	4.7E-03										
Acetylcholine	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.	5.3E-05	N.D.	N.D.	N.D.	N.D.										
Spermidine	1.1E-04	3.9E-04	4.8E-04	3.2E-04	3.6E-04	3.2E-04	4.6E-04	3.2E-04	4.2E-04	1.4E-04	1.9E-04	2.8E-04	3.1E-04	3.6E-04	2.6E-04	4.0E-04	3.3E-04	4.7E-04										
Gln	8.4E-02	8.3E-02	7.3E-02	8.2E-02	6.5E-02	7.1E-02	9.3E-02	7.8E-02	8.1E-02	9.7E-02	1.0E-01	9.5E-02	9.8E-02	9.1E-02	9.1E-02	9.7E-02	9.0E-02	7.9E-02										
Lys	1.5E-02	2.1E-02	2.2E-02	2.4E-02	1.9E-02	2.2E-02	2.8E-02	2.0E-02	2.0E-02	4.0E-02	3.1E-02	4.6E-02	4.9E-02	3.8E-02	4.3E-02	4.3E-02	3.6E-02	2.7E-02										
2-Methylthiazolidine-4-carboxylic acid	N.D.	N.D.	4.5E-05	N.D.	N.D.	N.D.	7.4E-05	N.D.	N.D.	N.D.	N.D.	N.D.	3.9E-05	N.D.	N.D.	N.D.	N.D.	N.D.										
Glu	4.0E-02	4.7E-02	3.3E-02	4.2E-02	3.7E-02	4.4E-02	5.0E-02	3.8E-02	4.8E-02	5.0E-02	8.5E-02	7.0E-02	7.5E-02	6.2E-02	8.3E-02	9.3E-02	7.4E-02	7.4E-02										
N-Acetylserine	2.3E-04	1.8E-04	2.0E-04	2.2E-04	4.0E-04	N.D.	7.3E-04	4.2E-04	3.8E-04	N.D.	N.D.	2.3E-04	1.8E-04	N.D.	2.1E-04	N.D.	2.1E-04	2.2E-04										
Met	6.6E-03	7.2E-03	7.4E-03	8.1E-03	9.0E-03	6.5E-03	9.7E-03	6.8E-03	7.2E-03	7.7E-03	6.1E-03	7.4E-03	8.7E-03	6.0E-03	8.2E-03	7.2E-03	7.4E-03	6.8E-03										
Triethanolamine	N.D.	N.D.	N.D.	5.3E-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.										
Xanthine	N.D.	3.7E-04	3.7E-04	3.6E-04	7.6E-04	7.0E-04	7.3E-04	5.4E-04	6.1E-04	4.3E-04	N.D.	3.5E-04	4.7E-04	7.6E-04	6.1E-04	6.2E-04	4.6E-04	5.6E-04										
N1-Methyl-4-pyridone-5-carboxamide	2.2E-04	1.5E-04	1.7E-04	1.3E-04	N.D.	1.4E-04	1.5E-04	1.0E-04	1.2E-04	2.6E-04	1.7E-04	1.4E-04	1.8E-04	1.2E-04	1.2E-04	1.3E-04	8.6E-05	1.2E-04										
His	1.4E-02	1.4E-02	1.1E-02	1.0E-02	1.2E-02	1.0E-02	1.4E-02	1.2E-02	1.1E-02	1.9E-02	1.6E-02	1.6E-02	1.4E-02	1.4E-02	1.4E-02	1.3E-02	1.3E-02	1.2E-02										
Imidazolelactic acid	4.2E-05	N.D.	4.8E-05	3.3E-05	N.D.	1.1E-05	2.5E-05	N.D.	N.D.	2.8E-05	3.7E-05	5.2E-05	3.9E-05	N.D.	N.D.	2.1E-05	2.5E-05	N.D.										
2-Aminooctanoic acid	N.D.	N.D.	N.D.	N.D.	9.7E-05	N.D.	1.0E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Ala-Ala	N.D.	N.D.	N.D.	1.2E-04	1.3E-04	1.2E-04	N.D.	1.2E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
4-Acetamido-2-aminobutyric acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.0E-04	N.D.	N.D.	N.D.	N.D.	1.8E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
N6-Methyllysine	2.5E-04	4.8E-04	2.8E-04	3.1E-04	1.5E-04	2.3E-04	2.7E-04	3.2E-04	2.2E-04	4.1E-04	4.1E-04	5.8E-04	6.8E-04	4.5E-04	4.6E-04	4.6E-04	5.4E-04	3.5E-04										
O-Acetylhomoserine"	3.7E-04	4.5E-04	4.3E-04	3.9E-04	5.6E-04	6.1E-04	6.8E-04	5.2E-04	5.8E-04	5.9E-04	5.9E-04	6.4E-04	5.8E-04	7.1E-04	5.8E-04	8.3E-04	6.2E-04	6.6E-04										
Carnitine	3.6E-02	3.9E-02	3.2E-02	3.2E-02	2.9E-02	3.0E-02	2.6E-02	3.3E-02	3.5E-02	3.8E-02	4.3E-02	4.4E-02	3.6E-02	3.5E-02	4.0E-02	3.4E-02	3.9E-02	4.1E-02										
5-Hydroxylysine	7.2E-05	8.9E-05	5.3E-05	4.2E-05	N.D.	6.1E-05	5.9E-05	7.2E-05	7.1E-05	6.0E-05	6.7E-05	8.5E-05	1.2E-04	9.7E-05	7.8E-05	7.9E-05	9.9E-05	6.0E-05										
Methionine sulfoxide	5.6E-04	5.4E-04	4.3E-04	4.3E-04	4.9E-04	4.9E-04	5.2E-04	5.5E-04	4.7E-04	5.7E-04	4.9E-04	5.9E-04	5.6E-04	6.3E-04	5.9E-04	5.8E-04	4.6E-04	2.9E-04										
Phe	1.4E-02	1.5E-02	1.5E-02	1.2E-02	1.8E-02	1.3E-02	1.8E-02	1.6E-02	1.6E-02	1.7E-02	1.2E-02	1.3E-02	1.4E-02	1.6E-02	1.4E-02	1.5E-02	1.5E-02	1.3E-02										
Taurocyamine	1.5E-04	2.4E-04	1.6E-04	1.7E-04	1.3E-04	1.4E-04	1.3E-04	1.3E-04	1.2E-04	2.7E-04	2.2E-04	2.8E-04	2.6E-04	2.3E-04	1.9E-04	2.6E-04	2.9E-04	3.0E-04										
3-Methylhistidine"	1.2E-03	1.6E-03	1.3E-03	1.2E-03	1.2E-03	1.1E-03	1.7E-03	1.2E-03	1.1E-03	1.9E-03	1.9E-03	1.9E-03	1.9E-03	1.6E-03	1.8E-03	1.7E-03	1.5E-03	1.3E-03										
N6-Formyllysine	2.3E-04	2.6E-04	2.2E-04	1.7E-04	N.D.	N.D.	N.D.	1.7E-04	1.4E-04	2.4E-04	2.2E-04	2.1E-04	2.4E-04	2.0E-04	1.5E-04	N.D.	1.2E-04	1.4E-04										
N5-Ethylglutamine	6.4E-04	9.4E-04	6.4E-04	6.5E-04	5.0E-04	4.7E-04	5.0E-04	5.6E-04	5.2E-04	6.7E-04	7.3E-04	7.1E-04	7.2E-04	7.0E-04	5.5E-04	5.1E-04	6.0E-04	4.9E-04										
Arg	1.1E-02	1.3E-02	1.2E-02	1.3E-02	1.3E-02	1.5E-02	1.8E-02	1.4E-02	1.1E-02	2.6E-02	1.5E-02	2.9E-02	2.6E-02	2.8E-02	2.5E-02	2.5E-02	2.1E-02	1.6E-02										
Citrulline	1.3E-02	1.1E-02	1.2E-02	1.3E-02	7.1E-03	7.7E-03	9.4E-03	8.6E-03	8.2E-03	1.5E-02	1.1E-02	1.4E-02	1.3E-02	1.1E-02	8.9E-03	1.1E-02	1.1E-02	8.7E-03										
Serotonin	3.8E-05	3.6E-05	5.9E-05	2.6E-05	5.6E-05	6.3E-05	5.1E-05	6.3E-05	3.1E-05	3.6E-05	N.D.	3.0E-05	N.D.	4.2E-05	6.3E-05	N.D.	N.D.	4.2E-05										
Gluconolactone	2.1E-04	1.6E-04	1.9E-04	N.D.	N.D.	2.2E-04	2.0E-04	N.D.	1.5E-04	N.D.	N.D.	N.D.	N.D.	2.2E-04	N.D.	N.D.	1.7E-04	N.D.										
Glucosamine	N.D.	1.0E-04	1.0E-04	N.D.	6.4E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	6.2E-05	N.D.	N.D.	N.D.	2.5E-05										
Tyr	7.9E-03	1.2E-02	1.2E-02	1.1E-02	1.2E-02	1.0E-02	1.4E-02	1.1E-02	1.2E-02	1.1E-02	1.0E-02	8.1E-03	1.2E-02	8.3E-03	9.8E-03	1.3E-02	9.2E-03	7.9E-03										
Phosphorylcholine	1.5E-03	2.4E-03	2.7E-03	2.6E-03	1.3E-03	1.7E-03	2.9E-03	2.0E-03	2.1E-03	1.7E-03	1.8E-03	1.4E-03	1.3E-03	1.6E-03	1.4E-03	1.3E-03	1.5E-03	1.0E-03										
N-Acetyllysine	N.D.	1.1E-04	N.D.	N.D.	1.1E-04	9.8E-05	2.0E-04	1.3E-04	9.8E-05	N.D.	7.9E-05	N.D.	1.0E-04	1.2E-04	N.D.	1.8E-04	1.5E-04	1.1E-04										
Nω-Methylarginine	N.D.	N.D.	N.D.	N.D.	3.5E-05	N.D.	4.2E-05	3.8E-05	N.D.	N.D.	N.D.	6.4E-05	4.7E-05	N.D.	4.6E-05	5.8E-05	3.5E-05	N.D.										
"N6,N6,N6-Trimethyllysine"	1.0E-03	1.3E-03	1.4E-03	1.4E-03	1.4E-03	1.2E-03	2.6E-03	1.7E-03	1.8E-03	2.2E-03	1.8E-03	2.4E-03	2.2E-03	3.1E-03	2.6E-03	3.3E-03	2.7E-03	2.4E-03										
Homocitrulline	2.1E-04	3.6E-04	2.7E-04	2.5E-04	1.5E-04	1.8E-04	1.9E-04	2.1E-04	2.1E-04	2.4E-04	2.9E-04	2.9E-04	2.8E-04	2.1E-04	2.8E-04	3.1E-04	2.0E-04	1.8E-04										
H-Asp(Gly-OH)-OH	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.	5.7E-05	N.D.	N.D.	N.D.	N.D.										
Gly-Asp	2.1E-04	2.2E-04	2.6E-04	2.4E-04	3.3E-04	3.1E-04	7.1E-04	4.5E-04	4.1E-04	2.3E-04	2.5E-04	2.4E-04	2.1E-04	2.7E-04	2.8E-04	3.3E-04	2.6E-04	3.3E-04										
S-(2-Carboxyethyl)cysteine	2.5E-05	4.6E-05	6.3E-05	N.D.	N.D.	2.3E-05	N.D.	3.3E-05	2.4E-05	N.D.	N.D.	N.D.	3.5E-05	2.4E-05	N.D.	N.D.	N.D.	N.D.										
ADMA	7.5E-05	8.4E-05	9.1E-05	1.1E-04	7.0E-05	7.9E-05	1.2E-04	1.3E-04	1.0E-04	1.1E-04	9.3E-05	1.3E-04	1.3E-04	9.8E-05	1.0E-04	7.5E-05	8.4E-05	9.9E-05										
SDMA	3.7E-05	3.0E-05	5.6E-05	5.5E-05	N.D.	4.5E-05	4.3E-05	3.3E-05	3.9E-05	1.2E-04	8.6E-05	1.0E-04	1.1E-04	8.2E-05	6.8E-05	1.1E-04	5.8E-05	6.8E-05										
Spermine	N.D.	5.3E-05	1.0E-04	8.3E-05	6.9E-05	5.2E-05	3.5E-05	5.8E-05	6.3E-05	5.9E-05	5.3E-05	7.0E-05	9.2E-05	7.2E-05	5.6E-05	5.3E-05	4.4E-05	5.7E-05										
O-Acetylcarnitine	2.9E-02	3.3E-02	3.0E-02	2.7E-02	2.4E-02	2.5E-02	1.8E-02	2.4E-02	2.6E-02	3.4E-02	3.4E-02	3.0E-02	3.3E-02	2.7E-02	3.2E-02	2.6E-02	2.5E-02	2.7E-02										
γ-Glu-Gly	N.D.	6.3E-05	6.5E-05	7.1E-05	4.0E-05	N.D.	N.D.	7.7E-05	7.0E-05	5.3E-05	N.D.	N.D.	3.5E-05	7.2E-05	N.D.	6.3E-05	5.9E-05	N.D.										
Trp	2.4E-03	3.6E-03	2.7E-03	2.3E-03	3.2E-03	2.8E-03	3.6E-03	3.7E-03	3.5E-03	3.2E-03	2.5E-03	2.8E-03	2.6E-03	2.9E-03	3.1E-03	3.1E-03	2.8E-03	2.9E-03										
Carboxymethyllysine	4.0E-04	6.1E-04	4.7E-04	5.5E-04	4.6E-04	5.9E-04	5.7E-04	5.5E-04	5.5E-04	1.2E-03	1.3E-03	1.6E-03	1.4E-03	1.6E-03	1.5E-03	2.0E-03	1.3E-03	1.2E-03										
Kynurenine	5.0E-05	N.D.	N.D.	N.D.	N.D.	4.5E-05	N.D.	3.9E-05	5.4E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Glycerophosphorylethanolamine	4.2E-04	4.1E-04	4.3E-04	4.8E-04	6.1E-04	6.2E-04	7.5E-04	7.4E-04	7.9E-04	5.6E-04	6.7E-04	4.6E-04	6.2E-04	1.0E-03	9.3E-04	1.0E-03	7.0E-04	6.0E-04										
N-α-Acetylarginine	N.D.	N.D.	N.D.	N.D.	N.D.	4.1E-05	5.4E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.3E-05	4.3E-05	N.D.	N.D.	5.1E-05										
Propionylcarnitine	5.0E-04	6.9E-04	6.3E-04	5.9E-04	6.5E-04	5.8E-04	5.2E-04	6.9E-04	6.3E-04	4.9E-04	5.6E-04	6.1E-04	5.7E-04	7.7E-04	5.9E-04	5.2E-04	7.0E-04	6.5E-04										
β-Ala-Lys	N.D.	5.7E-05	1.0E-04	1.2E-04	3.7E-05	7.2E-05	1.2E-04	7.9E-05	6.9E-05	6.8E-05	N.D.	9.1E-05	1.5E-04	1.1E-04	7.2E-05	1.1E-04	8.6E-05	N.D.										
Cystathionine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	8.0E-05	N.D.	N.D.	N.D.	N.D.	1.2E-04	N.D.	N.D.	N.D.	1.3E-04	N.D.	N.D.										
Carnosine	1.9E-01	2.0E-01	2.3E-01	2.1E-01	2.0E-01	1.9E-01	2.2E-01	2.3E-01	2.3E-01	8.9E-02	9.1E-02	1.0E-01	8.3E-02	1.0E-01	8.1E-02	1.1E-01	1.3E-01	8.3E-02										
2'-Deoxycytidine	4.8E-05	6.7E-05	4.7E-05	6.3E-05	6.7E-05	1.2E-04	1.0E-04	6.3E-05	9.8E-05	4.7E-05	7.3E-05	6.0E-05	8.4E-05	7.4E-05	8.2E-05	8.9E-05	5.3E-05	7.6E-05										
Butyrylcarnitine	7.3E-04	8.4E-04	5.0E-04	3.8E-04	4.1E-04	3.6E-04	2.2E-04	2.4E-04	2.7E-04	1.1E-03	6.8E-04	4.1E-04	8.2E-04	4.5E-04	5.2E-04	2.4E-04	2.4E-04	2.9E-04										
γ-Glu-Ser	N.D.	N.D.	N.D.	N.D.	N.D.	2.9E-05	3.9E-05	N.D.	4.6E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Ser-Glu	2.1E-05	6.1E-05	6.2E-05	6.7E-05	8.5E-05	1.1E-04	1.0E-04	1.0E-04	9.7E-05	4.4E-05	5.2E-05	3.9E-05	8.5E-05	1.2E-04	N.D.	6.3E-05	5.3E-05	8.7E-05										
Homocarnosine	1.4E-01	1.2E-01	1.4E-01	1.4E-01	1.7E-01	1.6E-01	1.8E-01	1.7E-01	1.6E-01	1.3E-01	1.2E-01	1.4E-01	1.2E-01	1.6E-01	1.4E-01	1.8E-01	1.6E-01	1.2E-01										
Cytidine	1.3E-04	1.5E-04	1.7E-04	1.5E-04	2.1E-04	2.1E-04	3.9E-04	1.2E-04	2.6E-04	2.0E-04	2.5E-04	1.0E-04	2.2E-04	2.7E-04	2.4E-04	2.2E-04	1.9E-04	2.0E-04										
Uridine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.6E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Isovalerylcarnitine-1	1.3E-04	1.1E-04	2.2E-04	N.D.	2.0E-04	1.3E-04	1.3E-04	1.3E-04	1.7E-04	N.D.	N.D.	N.D.	N.D.	1.6E-04	7.8E-05	N.D.	9.5E-05	N.D.										
Isovalerylcarnitine-2	N.D.	1.5E-03	1.7E-04	N.D.	2.3E-04	7.5E-05	2.9E-04	1.9E-04	2.0E-04	3.6E-04	2.8E-04	3.0E-04	4.1E-04	1.3E-04	N.D.	3.5E-04	3.5E-04	3.4E-04										
Malonylcarnitine	1.3E-04	1.0E-04	8.6E-05	9.3E-05	8.4E-05	6.0E-05	8.8E-05	7.5E-05	1.1E-04	1.2E-04	1.4E-04	1.1E-04	1.3E-04	9.2E-05	1.7E-04	1.1E-04	1.2E-04	7.8E-05										
Pyridoxamine 5'-phosphate	1.8E-04	1.6E-04	1.2E-04	1.5E-04	1.4E-04	1.1E-04	9.4E-05	1.6E-04	1.3E-04	2.0E-04	2.1E-04	1.6E-04	1.9E-04	1.2E-04	1.9E-04	1.3E-04	1.6E-04	1.8E-04										
γ-Glu-Cys	5.2E-05	6.5E-05	4.3E-05	4.0E-05	6.4E-05	5.9E-05	1.3E-04	9.5E-05	8.1E-05	6.0E-05	4.5E-05	5.5E-05	4.4E-05	5.7E-05	4.7E-05	6.5E-05	5.7E-05	4.4E-05										
Glycerophosphocholine	2.8E-03	4.6E-03	4.0E-03	3.8E-03	7.5E-03	7.5E-03	8.0E-03	8.2E-03	9.0E-03	5.3E-03	6.2E-03	5.5E-03	6.5E-03	1.3E-02	1.2E-02	1.2E-02	9.3E-03	5.4E-03										
γ-Glu-Leu"	N.D.	N.D.	5.4E-05	4.0E-05	4.5E-05	N.D.	5.8E-05	N.D.	5.5E-05	N.D.	N.D.	5.2E-05	6.5E-05	7.6E-05	5.4E-05	N.D.	N.D.	N.D.										
Succinylcarnitine	1.9E-04	2.9E-04	1.2E-04	2.1E-04	6.8E-05	1.2E-04	4.6E-05	1.5E-04	7.6E-05	2.1E-04	2.3E-04	2.5E-04	2.0E-04	1.6E-04	2.9E-04	1.1E-04	2.0E-04	1.0E-04										
H-Asp(Lys-OH)-OH"	9.2E-05	9.2E-05	1.1E-04	1.1E-04	1.3E-04	1.0E-04	1.6E-04	1.5E-04	1.3E-04	1.2E-04	1.1E-04	6.7E-05	7.8E-05	1.3E-04	1.2E-04	1.6E-04	9.2E-05	4.8E-05										
3-Hydroxyisovalerylcarnitine	9.3E-04	9.5E-04	9.7E-04	8.9E-04	1.2E-03	1.4E-03	1.9E-03	1.4E-03	1.7E-03	6.7E-04	7.0E-04	7.0E-04	6.0E-04	1.0E-03	1.1E-03	8.8E-04	1.1E-03	1.2E-03										
γ-Glu-Asp	N.D.	N.D.	3.3E-05	N.D.	N.D.	5.5E-05	6.7E-05	6.3E-05	6.1E-05	4.3E-05	N.D.	2.6E-05	N.D.	6.0E-05	3.9E-05	7.3E-05	4.3E-05	3.6E-05										
Adenosine	3.4E-04	3.5E-04	6.4E-04	1.0E-03	7.5E-04	1.1E-03	1.6E-03	1.0E-03	2.1E-03	1.8E-03	1.4E-03	8.2E-04	2.1E-03	7.3E-04	1.7E-03	8.9E-04	8.4E-04	1.0E-03										
Inosine	2.0E-03	4.0E-03	4.3E-03	2.4E-03	6.0E-03	5.3E-03	7.3E-03	4.5E-03	5.8E-03	2.6E-03	3.9E-03	3.4E-03	4.6E-03	5.8E-03	5.7E-03	5.0E-03	3.2E-03	4.1E-03										
N-Acetylcarnosine	1.1E-04	1.0E-04	9.1E-05	8.0E-05	1.2E-04	1.0E-04	1.7E-04	1.4E-04	8.8E-05	N.D.	5.1E-05	5.2E-05	5.4E-05	8.9E-05	6.1E-05	8.7E-05	8.1E-05	5.3E-05										
Nα-Succinylarginine	N.D.	N.D.	N.D.	9.4E-05	6.2E-05	6.1E-05	1.1E-04	N.D.	1.0E-04	N.D.	4.4E-05	5.0E-05	5.8E-05	8.9E-05	6.4E-05	4.2E-05	9.3E-05	N.D.										
γ-Glu-Gln	4.5E-05	6.2E-05	5.0E-05	2.6E-05	7.0E-05	4.8E-05	4.9E-05	5.6E-05	4.4E-05	5.5E-05	5.3E-05	5.6E-05	4.5E-05	5.3E-05	4.0E-05	6.1E-05	5.4E-05	5.2E-05										
Glu-Glu	5.1E-05	2.8E-05	4.8E-05	3.0E-05	6.4E-05	3.1E-05	8.6E-05	5.2E-05	5.3E-05	N.D.	3.5E-05	N.D.	3.0E-05	4.3E-05	4.0E-05	N.D.	2.9E-05	4.3E-05										
Saccharopine	N.D.	3.5E-05	N.D.	5.9E-05	4.0E-05	4.3E-05	7.3E-05	4.8E-05	6.2E-05	N.D.	N.D.	3.2E-05	N.D.	N.D.	N.D.	4.7E-05	3.2E-05	3.7E-05										
1-Methyladenosine	N.D.	N.D.	2.0E-05	4.1E-05	2.8E-05	5.6E-05	6.5E-05	4.4E-05	7.1E-05	4.0E-05	4.9E-05	3.0E-05	5.8E-05	4.0E-05	3.4E-05	7.8E-05	4.1E-05	5.4E-05										
Guanosine	N.D.	7.2E-05	4.9E-05	4.6E-05	1.2E-04	9.1E-05	2.0E-04	5.8E-05	1.2E-04	6.9E-05	9.6E-05	5.7E-05	7.6E-05	8.1E-05	9.5E-05	1.1E-04	9.0E-05	8.4E-05										
Octanoylcarnitine	5.8E-05	6.9E-05	N.D.	4.1E-05	6.9E-05	N.D.	N.D.	N.D.	N.D.	9.7E-05	1.1E-04	N.D.	N.D.	N.D.	5.9E-05	N.D.	N.D.	N.D.										
Ophthalmic acid	5.7E-05	6.1E-05	4.1E-05	N.D.	5.1E-05	5.6E-05	N.D.	4.4E-05	5.3E-05	N.D.	3.0E-05	3.8E-05	4.6E-05	N.D.	2.8E-05	N.D.	N.D.	N.D.										
Argininosuccinic acid	1.2E-04	2.4E-04	1.8E-04	2.4E-04	1.3E-04	2.5E-04	3.8E-04	2.2E-04	2.3E-04	2.8E-04	2.1E-04	4.0E-04	3.5E-04	4.0E-04	3.8E-04	3.9E-04	2.7E-04	2.8E-04										
5'-Deoxy-5'-methylthioadenosine	6.6E-05	9.1E-05	6.1E-05	7.5E-05	8.3E-05	5.3E-05	9.3E-05	6.9E-05	7.4E-05	8.8E-05	8.1E-05	1.0E-04	1.1E-04	5.8E-05	7.2E-05	5.6E-05	7.3E-05	4.9E-05										
Glutathione (GSSG)_divalent	1.5E-02	1.1E-02	1.1E-02	1.6E-02	8.7E-03	1.0E-02	1.7E-02	8.4E-03	2.0E-02	1.4E-02	1.5E-02	1.4E-02	1.3E-02	1.1E-02	1.0E-02	1.2E-02	2.3E-02	1.4E-02										
Glutathione (GSH)	4.1E-02	3.9E-02	4.4E-02	4.1E-02	3.7E-02	3.4E-02	6.0E-02	4.7E-02	3.2E-02	5.9E-02	5.4E-02	4.8E-02	5.2E-02	5.5E-02	4.8E-02	6.4E-02	3.6E-02	4.2E-02										
Tyr-Glu	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.3E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.2E-05	N.D.	N.D.	N.D.	N.D.										
NMN	7.6E-05	N.D.	N.D.	4.1E-05	N.D.	4.1E-05	6.4E-05	5.1E-05	5.2E-05	8.4E-05	N.D.	5.5E-05	N.D.	N.D.	6.4E-05	9.4E-05	5.5E-05	8.2E-05										
Lauroylcarnitine	6.7E-05	4.8E-05	6.4E-05	5.4E-05	4.6E-05	4.7E-05	N.D.	N.D.	6.4E-05	9.1E-05	7.5E-05	N.D.	7.4E-05	N.D.	5.9E-05	N.D.	N.D.	N.D.										
S-Lactoylglutathione	8.8E-04	1.2E-03	6.6E-04	1.2E-03	8.5E-04	1.0E-03	4.3E-04	1.1E-03	6.5E-04	1.1E-03	1.3E-03	1.5E-03	1.9E-03	1.5E-03	1.6E-03	1.4E-03	1.3E-03	7.9E-04										
S-Adenosylhomocysteine	3.3E-05	6.8E-05	1.0E-04	7.9E-05	5.4E-05	6.9E-05	4.5E-05	6.3E-05	7.5E-05	8.0E-05	9.9E-05	8.4E-05	9.2E-05	6.6E-05	7.9E-05	9.7E-05	6.4E-05	5.4E-05										
S-Adenosylmethionine	8.8E-04	9.2E-04	9.6E-04	8.7E-04	6.7E-04	5.2E-04	1.4E-03	9.2E-04	8.9E-04	9.3E-04	1.2E-03	1.1E-03	1.0E-03	6.9E-04	7.1E-04	7.2E-04	6.5E-04	7.8E-04										
Cysteine glutathione disulfide	N.D.	N.D.	3.2E-05	N.D.	N.D.	2.4E-05	5.8E-05	N.D.	6.4E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	6.1E-05	N.D.										
CDP-ethanolamine	9.5E-05	1.5E-04	1.1E-04	1.0E-04	1.3E-04	9.5E-05	2.9E-04	1.1E-04	1.8E-04	1.4E-04	1.3E-04	1.2E-04	9.5E-05	1.9E-04	1.9E-04	2.0E-04	1.5E-04	2.2E-04										
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Trimethylamine
Urea
Ethanolamine
3-Aminopropionitrile
Gly
Trimethylamine N-oxide
Putrescine
Sarcosine
β-Ala
Ala
Dimethylaminoethanol
Glycerol
"N,N-Dimethylglycine"
2-Aminobutyric acid
GABA
Choline
Ser
Diethanolamine
Hypotaurine
Cytosine
Histamine
Creatinine
3-Amino-2-piperidone
Pro
Guanidoacetic acid
Betaine
Val
Homoserine
Thr
Anserine_divalent
Nicotinamide"
Taurine
1-Methylhistamine
"5-Amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid"
4-Oxopyrrolidine-2-carboxylic acid
Pipecolic acid
Hydroxyproline
Creatine
Ile
Leu
6-Aminohexanoic acid
Gly-Gly
Asn
Ornithine
Thiaproline
Asp
Adenine
Hypoxanthine
1-Methylnicotinamide
Trigonelline
Tyramine
γ-Glu-Lys_divalent
Urocanic acid
1H-Imidazole-4-propionic acid
1-Methyl-4-imidazoleacetic acid
Ectoine
Stachydrine
4-Guanidinobutyric acid
γ-Butyrobetaine
Acetylcholine
Spermidine
Gln
Lys
2-Methylthiazolidine-4-carboxylic acid
Glu
N-Acetylserine
Met
Triethanolamine
Xanthine
N1-Methyl-4-pyridone-5-carboxamide
His
Imidazolelactic acid
2-Aminooctanoic acid
Ala-Ala
4-Acetamido-2-aminobutyric acid
N6-Methyllysine
O-Acetylhomoserine"
Carnitine
5-Hydroxylysine
Methionine sulfoxide
Phe
Taurocyamine
3-Methylhistidine"
N6-Formyllysine
N5-Ethylglutamine
Arg
Citrulline
Serotonin
Gluconolactone
Glucosamine
Tyr
Phosphorylcholine
N-Acetyllysine
Nω-Methylarginine
"N6,N6,N6-Trimethyllysine"
Homocitrulline
H-Asp(Gly-OH)-OH
Gly-Asp
S-(2-Carboxyethyl)cysteine
ADMA
SDMA
Spermine
O-Acetylcarnitine
γ-Glu-Gly
Trp
Carboxymethyllysine
Kynurenine
Glycerophosphorylethanolamine
N-α-Acetylarginine
Propionylcarnitine
β-Ala-Lys
Cystathionine
Carnosine
2'-Deoxycytidine
Butyrylcarnitine
γ-Glu-Ser
Ser-Glu
Homocarnosine
Cytidine
Uridine
Isovalerylcarnitine-1
Isovalerylcarnitine-2
Malonylcarnitine
Pyridoxamine 5'-phosphate
γ-Glu-Cys
Glycerophosphocholine
γ-Glu-Leu"
Succinylcarnitine
H-Asp(Lys-OH)-OH"
3-Hydroxyisovalerylcarnitine
γ-Glu-Asp
Adenosine
Inosine
N-Acetylcarnosine
Nα-Succinylarginine
γ-Glu-Gln
Glu-Glu
Saccharopine
1-Methyladenosine
Guanosine
Octanoylcarnitine
Ophthalmic acid
Argininosuccinic acid
5'-Deoxy-5'-methylthioadenosine
Glutathione (GSSG)_divalent
Glutathione (GSH)
Tyr-Glu
NMN
Lauroylcarnitine
S-Lactoylglutathione
S-Adenosylhomocysteine
S-Adenosylmethionine
Cysteine glutathione disulfide
CDP-ethanolamine
METABOLITES_END
#END