#METABOLOMICS WORKBENCH Mamo_O_20250115_224355 DATATRACK_ID:5532 STUDY_ID:ST003721 ANALYSIS_ID:AN006638 PROJECT_ID:PR002310
VERSION             	1
CREATED_ON             	July 6, 2025, 8:02 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic changes in skeletal muscle during immobilization and FoxO1
PR:PROJECT_TITLE                 	overexpression in mice.
PR:PROJECT_SUMMARY               	To better understand the metabolic changes in skeletal muscle during
PR:PROJECT_SUMMARY               	immobilization and FoxO1 overexpression, we performed a metabolomic analysis of
PR:PROJECT_SUMMARY               	skeletal muscle (gastrocnemius muscle) from 11-week-old C57BL/6J male mice
PR:PROJECT_SUMMARY               	immobilized for 7 days and from age-matched FoxO1-Tg male mice and age-matched
PR:PROJECT_SUMMARY               	control male mice using 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, immobilized and FoxO1-Tg
ST:STUDY_TITLE                   	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 genetically induced FoxO1 overexpression resulted
ST:STUDY_SUMMARY                 	in severe muscle atrophy. To better understand the metabolic changes in skeletal
ST:STUDY_SUMMARY                 	muscle during immobilization and FoxO1 overexpression, we performed a
ST:STUDY_SUMMARY                 	metabolomic analysis of skeletal muscle (gastrocnemius muscle) from 11-week-old
ST:STUDY_SUMMARY                 	C57BL/6J male mice immobilized for 7 days and from age-matched FoxO1-Tg male
ST:STUDY_SUMMARY                 	mice and age-matched control male mice using CE-TOFMS. Our data show that both
ST:STUDY_SUMMARY                 	immobilization and FoxO1 overexpression result in a dynamic remodeling of the
ST:STUDY_SUMMARY                 	skeletal muscle metabolome, with a particular impact on polyamine metabolism.
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               	C57BL/6J and FOXO1-Tg
SU:AGE_OR_AGE_RANGE              	11-week-old
SU:WEIGHT_OR_WEIGHT_RANGE        	24.7 g, 23.0 g, 24.8 g, and 22.5 g for control mice (n = 4) 18.2 g, 22.4 g, 20.3
SU:WEIGHT_OR_WEIGHT_RANGE        	g, and 20.0 g for FoxO1-Tg mice (n = 4), and 21.4 g, 21.3 g, 22.5 g, and 23.6 g
SU:WEIGHT_OR_WEIGHT_RANGE        	for immobilized mice (n = 4).
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           	m-C-1	C-1	Group:Control group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-c-1_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-C-1_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-C-3	C-3	Group:Control group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-c-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-C-3_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-C-4	C-4	Group:Control group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-c-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-C-4_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-C-5	C-5	Group:Control group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-c-5_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-C-5_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-Tg-1	Tg-1	Group:FOXO1-Tg group | Sample source:Gastrocnemius muscle | Genotype:FOXO1-Tg | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-Tg-1_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-Tg-1_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-Tg-2	Tg-2	Group:FOXO1-Tg group | Sample source:Gastrocnemius muscle | Genotype:FOXO1-Tg | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-Tg-2_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-Tg-2_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-Tg-3	Tg-3	Group:FOXO1-Tg group | Sample source:Gastrocnemius muscle | Genotype:FOXO1-Tg | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-Tg-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-Tg-3_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-Tg-5	Tg-5	Group:FOXO1-Tg group | Sample source:Gastrocnemius muscle | Genotype:FOXO1-Tg | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-Tg-5_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-Tg-5_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-P-4	P-4	Group:Plaster group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:immobilization | Time:7 days	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-P-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-P-4_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-P-5	P-5	Group:Plaster group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:immobilization | Time:7 days	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-P-5_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-P-5_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-P-7	P-7	Group:Plaster group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:immobilization | Time:7 days	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-P-7_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-P-7_d5.mzML
SUBJECT_SAMPLE_FACTORS           	m-P-8	P-8	Group:Plaster group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:immobilization | Time:7 days	RAW_FILE_NAME(raw data file name_anion)=TMDUM001_A_20100123_m-P-8_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM001_C_20100123_m-P-8_d5.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Gastrocnemius muscles from 11-week-old C57BL/6J male mice immobilized for 7
CO:COLLECTION_SUMMARY            	days, age-matched FOXO1-Tg male mice, and age-matched control male mice were
CO:COLLECTION_SUMMARY            	collected and snap frozen in liquid N2 (n = 4 mice/group).
CO:SAMPLE_TYPE                   	Muscle
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	The right hindlimb of C57BL/6J male mice was immobilized (unloaded) with plaster
TR:TREATMENT_SUMMARY             	cast. This procedure prevented movement of the immobilized leg alone. Mice not
TR:TREATMENT_SUMMARY             	exposed to atrophic conditions were used as controls.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Gastrocnemius muscle samples and 600 μL methanol solution containing 50 μM
SP:SAMPLEPREP_SUMMARY            	internal standard were added to the crushing tubes, frozen with liquid nitrogen,
SP:SAMPLEPREP_SUMMARY            	and crushed (4,000 rpm, 60 sec × 8 times) using a bead-type cell crusher (TOMY
SP:SAMPLEPREP_SUMMARY            	Seiko, MS-100R). To this, 600 μL chloroform and 240 μL Milli-Q water were
SP:SAMPLEPREP_SUMMARY            	added, stirred, and centrifuged (2,300 × g, 4°C, 5 min). After centrifugation,
SP:SAMPLEPREP_SUMMARY            	the aqueous phase was transferred to two 200 μL ultrafiltration tubes
SP:SAMPLEPREP_SUMMARY            	(MILLIPORE, Ultrafree MC UFC3 LCC centrifugal filter unit 5 KDa). The samples
SP:SAMPLEPREP_SUMMARY            	were centrifuged (9,100 × g, 4°C, 120 min) and subjected to ultrafiltration.
SP:SAMPLEPREP_SUMMARY            	The filtrate was dried and resuspended in 50 μL Milli-Q water for metabolome
SP:SAMPLEPREP_SUMMARY            	analysis at Human 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, 10 sec CE voltage : Positive, 27 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	C-1	C-3	C-4	C-5	Tg-1	Tg-2	Tg-3	Tg-5	P-4	P-5	P-7	P-8
Factors	Group:Control group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	Group:Control group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	Group:Control group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	Group:Control group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	Group:FOXO1-Tg group | Sample source:Gastrocnemius muscle | Genotype:FOXO1-Tg | Treatment:Control | Time:-	Group:FOXO1-Tg group | Sample source:Gastrocnemius muscle | Genotype:FOXO1-Tg | Treatment:Control | Time:-	Group:FOXO1-Tg group | Sample source:Gastrocnemius muscle | Genotype:FOXO1-Tg | Treatment:Control | Time:-	Group:FOXO1-Tg group | Sample source:Gastrocnemius muscle | Genotype:FOXO1-Tg | Treatment:Control | Time:-	Group:Plaster group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:immobilization | Time:7 days	Group:Plaster group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:immobilization | Time:7 days	Group:Plaster group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:immobilization | Time:7 days	Group:Plaster group | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:immobilization | Time:7 days
Urea	1.1E-01	1.3E-01	1.2E-01	1.1E-01	1.0E-01	1.4E-01	1.4E-01	1.2E-01	1.1E-01	1.0E-01	1.0E-01	7.8E-02
Methylguanidine	8.3E-05	1.2E-04	1.3E-04	8.2E-05	9.0E-05	9.7E-05	8.6E-05	8.0E-05	1.9E-04	1.3E-04	1.4E-04	1.1E-04
Gly	4.9E-02	6.0E-02	6.0E-02	5.7E-02	1.7E-02	1.8E-02	2.0E-02	2.5E-02	3.4E-02	3.5E-02	4.5E-02	4.5E-02
Trimethylamine N-oxide	2.4E-04	2.9E-04	3.4E-04	2.6E-04	2.5E-04	3.1E-04	3.2E-04	3.1E-04	3.4E-04	2.1E-04	4.0E-04	4.3E-04
Crotonic acid	8.9E-05	5.0E-04	4.9E-04	4.1E-04	7.1E-04	3.8E-04	6.9E-04	8.3E-04	4.3E-04	6.3E-04	N.D.	N.D.
Putrescine	5.0E-05	6.2E-05	6.1E-05	6.3E-05	1.8E-04	1.9E-04	1.8E-04	2.2E-04	1.9E-03	1.4E-03	2.3E-03	2.6E-03
β-Ala	2.5E-03	2.5E-03	3.0E-03	2.5E-03	1.4E-03	1.9E-03	1.4E-03	1.5E-03	2.2E-03	1.8E-03	2.6E-03	2.7E-03
Sarcosine	5.1E-04	6.6E-04	5.8E-04	5.5E-04	2.0E-04	2.6E-04	3.1E-04	2.4E-04	2.2E-04	2.4E-04	3.0E-04	2.5E-04
Ala	5.6E-02	6.3E-02	6.3E-02	6.4E-02	5.2E-02	5.1E-02	5.0E-02	4.5E-02	5.0E-02	5.0E-02	5.9E-02	5.7E-02
3-Hydroxypropionic acid	3.0E-03	4.4E-03	4.4E-03	4.0E-03	4.5E-03	4.2E-03	3.5E-03	5.8E-03	3.7E-03	3.1E-03	3.0E-03	2.8E-03
Cyclohexylamine	3.9E-05	3.8E-05	3.1E-05	4.7E-05	4.6E-05	5.6E-05	6.0E-05	5.2E-05	6.2E-05	8.0E-05	4.9E-05	5.5E-05
1-Aminocyclopropane-1-carboxylic acid ; Homoserinelactone	4.3E-05	6.0E-05	5.2E-05	4.6E-05	6.7E-05	5.4E-05	6.6E-05	6.3E-05	6.3E-05	7.0E-05	9.3E-05	9.5E-05
Hexylamine	1.2E-04	1.7E-04	1.4E-04	1.8E-04	2.3E-04	2.0E-04	2.1E-04	2.7E-04	2.3E-04	2.0E-04	2.0E-04	1.7E-04
γ-Aminobutyric acid	4.0E-05	5.1E-05	7.9E-05	5.7E-05	7.8E-05	7.1E-05	6.1E-05	7.9E-05	4.3E-05	6.6E-05	3.3E-05	3.5E-05
"N,N-Dimethylglycine"	2.0E-04	2.5E-04	2.5E-04	1.4E-04	1.6E-04	2.3E-04	2.2E-04	1.6E-04	2.3E-04	1.9E-04	2.8E-04	2.6E-04
2-Aminoisobutyric acid	4.2E-04	4.9E-04	4.1E-04	4.4E-04	3.3E-04	4.1E-04	4.7E-04	4.5E-04	4.5E-04	3.9E-04	4.3E-04	3.5E-04
N-Methylalanine	4.3E-05	7.3E-05	7.0E-05	6.5E-05	N.D.	2.5E-05	4.5E-05	N.D.	N.D.	N.D.	N.D.	N.D.
Choline	5.9E-03	5.3E-03	5.6E-03	6.5E-03	5.1E-03	3.5E-03	4.2E-03	3.6E-03	5.0E-03	7.5E-03	1.2E-02	1.1E-02
Ser	6.5E-03	8.4E-03	7.6E-03	8.0E-03	5.6E-03	4.8E-03	4.6E-03	4.1E-03	6.9E-03	7.0E-03	1.0E-02	9.9E-03
Hypotaurine	1.3E-03	1.7E-03	1.5E-03	1.5E-03	1.2E-03	2.3E-03	2.0E-03	2.0E-03	1.0E-03	1.0E-03	1.0E-03	1.0E-03
Histamine	6.4E-04	6.9E-04	7.2E-04	7.4E-04	1.1E-03	1.0E-03	1.0E-03	8.2E-04	1.1E-03	9.2E-04	1.2E-03	1.1E-03
Creatinine	2.1E-03	2.2E-03	2.1E-03	1.9E-03	1.8E-03	1.9E-03	1.9E-03	1.7E-03	1.5E-03	1.5E-03	1.5E-03	1.6E-03
Pro	1.2E-02	1.4E-02	1.4E-02	1.1E-02	6.4E-03	6.6E-03	7.3E-03	4.5E-03	1.8E-02	1.9E-02	2.4E-02	2.4E-02
Guanidoacetic acid	8.8E-05	7.9E-05	1.0E-04	8.9E-05	6.6E-05	8.8E-05	8.6E-05	1.2E-04	9.9E-05	6.9E-05	9.6E-05	1.0E-04
Betaine	3.1E-03	4.0E-03	3.7E-03	3.5E-03	3.2E-03	3.7E-03	3.6E-03	2.5E-03	4.3E-03	3.9E-03	4.5E-03	4.0E-03
Val	1.4E-02	1.9E-02	1.6E-02	1.6E-02	1.2E-02	1.5E-02	1.7E-02	1.1E-02	1.7E-02	1.6E-02	2.2E-02	1.7E-02
Thr	8.2E-03	1.1E-02	1.0E-02	9.6E-03	8.2E-03	8.2E-03	8.2E-03	6.6E-03	1.1E-02	1.1E-02	1.4E-02	1.2E-02
Nicotinamide	4.2E-03	5.2E-03	4.4E-03	4.1E-03	4.2E-03	3.9E-03	4.2E-03	4.0E-03	4.4E-03	4.2E-03	4.1E-03	5.1E-03
Taurine	7.5E-02	1.1E-01	1.0E-01	1.1E-01	1.3E-01	1.2E-01	1.2E-01	1.3E-01	1.2E-01	1.3E-01	1.3E-01	1.1E-01
1-Methylhistamine	2.0E-05	2.6E-05	3.0E-05	2.9E-05	3.1E-05	3.1E-05	3.4E-05	2.4E-05	4.6E-05	5.8E-05	2.7E-05	3.9E-05
Pipecolic acid	4.5E-04	4.6E-04	5.0E-04	4.3E-04	2.8E-04	3.5E-04	3.3E-04	3.2E-04	2.1E-04	2.0E-04	2.3E-04	2.3E-04
trans-Glutaconic acid ; Itaconic acid ; Citraconic acid	1.7E-04	1.9E-04	2.2E-04	1.5E-04	2.0E-04	2.9E-04	3.2E-04	2.1E-04	N.D.	N.D.	N.D.	N.D.
Hydroxyproline	1.3E-02	1.3E-02	1.5E-02	1.2E-02	1.4E-03	2.3E-03	2.6E-03	2.6E-03	1.5E-03	1.4E-03	1.8E-03	2.1E-03
Ile	6.3E-03	7.6E-03	6.9E-03	8.2E-03	4.4E-03	4.4E-03	4.4E-03	4.7E-03	7.7E-03	7.7E-03	1.1E-02	1.1E-02
Leu	9.6E-03	1.2E-02	1.1E-02	1.2E-02	7.9E-03	8.5E-03	8.8E-03	7.8E-03	1.4E-02	1.3E-02	1.8E-02	1.6E-02
Asn	1.3E-03	1.5E-03	1.4E-03	1.7E-03	1.3E-03	9.8E-04	1.0E-03	1.1E-03	2.3E-03	2.3E-03	3.5E-03	3.7E-03
Creatine	4.9E-01	5.7E-01	5.5E-01	5.6E-01	6.1E-01	6.1E-01	6.2E-01	6.4E-01	5.4E-01	5.3E-01	5.3E-01	5.4E-01
Ornithine	8.4E-04	1.9E-03	1.5E-03	1.1E-03	2.6E-03	2.3E-03	3.0E-03	9.2E-04	8.0E-04	1.1E-03	1.1E-03	6.2E-04
Asp	8.0E-03	5.7E-03	2.7E-03	6.0E-03	3.1E-03	4.5E-03	4.7E-03	1.2E-02	9.6E-03	8.9E-03	1.4E-02	1.7E-02
Adenine	6.3E-05	1.1E-04	8.3E-05	7.1E-05	3.9E-05	6.0E-05	4.7E-05	3.6E-05	8.7E-05	7.9E-05	8.9E-05	8.8E-05
Hypoxanthine	7.4E-05	1.1E-04	1.5E-04	1.2E-04	1.5E-04	1.4E-04	1.8E-04	2.9E-04	2.5E-04	2.3E-04	1.5E-04	1.8E-04
1-Methylnicotinamide	5.0E-05	3.8E-05	4.6E-05	7.1E-05	1.3E-04	8.7E-05	1.1E-04	1.3E-04	4.5E-04	1.3E-04	1.7E-04	1.4E-04
Isoniazid	2.1E-05	3.2E-05	3.2E-05	2.6E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.5E-05	3.0E-05
Tyramine	1.2E-05	1.6E-05	1.2E-05	1.9E-05	1.9E-05	4.5E-05	2.2E-05	3.0E-05	3.3E-05	2.2E-05	2.3E-05	2.5E-05
Stachydrine	9.6E-04	1.1E-03	1.1E-03	8.1E-04	7.9E-04	1.1E-03	1.1E-03	6.5E-04	8.7E-04	8.3E-04	1.0E-03	1.0E-03
4-Guanidinobutyric acid	5.7E-05	5.6E-05	5.7E-05	7.4E-05	3.8E-05	5.9E-05	6.1E-05	4.9E-05	2.6E-05	2.6E-05	3.7E-05	2.1E-05
γ-Butyrobetaine	1.4E-03	1.8E-03	1.7E-03	1.7E-03	9.3E-04	9.8E-04	1.0E-03	1.0E-03	2.3E-03	2.4E-03	2.7E-03	2.6E-03
Spermidine	1.2E-03	1.2E-03	1.7E-03	1.3E-03	8.2E-04	7.7E-04	9.3E-04	9.9E-04	2.8E-03	2.0E-03	2.9E-03	2.2E-03
Gln	4.9E-02	5.0E-02	5.3E-02	5.8E-02	4.7E-02	4.8E-02	4.9E-02	5.7E-02	3.7E-02	4.4E-02	5.6E-02	5.9E-02
Lys	2.1E-02	2.5E-02	2.6E-02	2.6E-02	1.5E-02	9.8E-03	1.2E-02	7.4E-03	1.2E-02	1.4E-02	1.8E-02	1.8E-02
threo-β-methylaspartic acid ; O-Acetylserine	N.D.	N.D.	N.D.	N.D.	3.5E-04	3.8E-04	4.2E-04	3.6E-04	N.D.	N.D.	N.D.	N.D.
Glu	2.6E-02	4.5E-02	3.1E-02	3.5E-02	1.5E-02	2.6E-02	3.5E-02	2.1E-02	2.8E-02	2.6E-02	3.9E-02	3.5E-02
Met	2.7E-03	3.6E-03	3.3E-03	3.0E-03	2.6E-03	3.0E-03	3.1E-03	1.9E-03	3.5E-03	3.6E-03	4.4E-03	3.7E-03
Triethanolamine	1.5E-05	2.3E-05	2.6E-05	2.2E-05	3.2E-05	N.D.	N.D.	3.9E-05	2.6E-05	N.D.	3.6E-05	2.2E-05
His	5.8E-03	5.2E-03	5.3E-03	5.2E-03	3.8E-03	3.5E-03	3.6E-03	3.1E-03	4.3E-03	4.4E-03	5.7E-03	5.8E-03
2-Aminoadipic acid	1.9E-04	2.1E-04	2.4E-04	2.5E-04	2.3E-04	2.4E-04	3.1E-04	3.2E-04	2.2E-04	2.1E-04	3.2E-04	2.5E-04
N-Methylglutamic acid	3.0E-05	2.4E-05	N.D.	3.9E-05	3.7E-05	N.D.	2.3E-05	3.0E-05	3.7E-05	3.7E-05	4.0E-05	3.1E-05
Carnitine	1.6E-02	1.9E-02	1.8E-02	2.1E-02	1.4E-02	1.6E-02	1.7E-02	1.2E-02	1.9E-02	1.7E-02	1.8E-02	1.9E-02
5-Hydroxylysine	8.2E-05	1.2E-04	1.3E-04	7.9E-05	7.0E-05	8.2E-05	8.8E-05	3.0E-05	5.9E-05	4.6E-05	4.4E-05	3.9E-05
Phe	3.7E-03	4.7E-03	4.5E-03	3.9E-03	3.5E-03	3.5E-03	3.8E-03	2.7E-03	5.3E-03	4.8E-03	5.8E-03	4.9E-03
1-Methylhistidine ; 3-Methylhistidine	7.2E-04	7.7E-04	7.5E-04	7.3E-04	6.4E-04	4.9E-04	5.4E-04	4.6E-04	4.6E-04	5.3E-04	6.0E-04	6.2E-04
N5-Ethylglutamine	2.7E-04	3.4E-04	2.9E-04	3.5E-04	2.4E-04	2.4E-04	2.5E-04	2.2E-04	1.4E-04	1.8E-04	1.4E-04	1.5E-04
Arg	1.1E-02	1.3E-02	1.5E-02	1.1E-02	6.6E-03	5.4E-03	6.6E-03	3.2E-03	6.2E-03	7.4E-03	9.0E-03	8.7E-03
Citrulline	3.7E-03	4.1E-03	4.0E-03	3.6E-03	2.7E-03	3.4E-03	3.4E-03	2.9E-03	2.5E-03	3.0E-03	3.0E-03	2.6E-03
Pyridine-2-carboxylic acid butyl ester	3.9E-05	2.8E-05	3.1E-05	3.9E-05	3.5E-05	2.2E-05	2.9E-05	3.7E-05	3.5E-05	3.7E-05	6.4E-05	2.7E-05
Tyr	3.4E-03	5.6E-03	4.7E-03	4.5E-03	3.5E-03	3.7E-03	4.2E-03	2.6E-03	4.4E-03	4.3E-03	5.3E-03	3.2E-03
Phosphorylcholine	7.0E-04	1.4E-03	9.6E-04	6.4E-04	5.1E-04	8.2E-04	6.3E-04	3.4E-04	7.5E-04	4.4E-04	9.6E-04	7.8E-04
Nω-Methylarginine	2.9E-05	3.5E-05	3.7E-05	3.1E-05	3.3E-05	2.0E-05	1.8E-05	2.0E-05	1.4E-05	N.D.	N.D.	1.5E-05
"N6,N6,N6-Trimethyllysine"	5.7E-04	6.1E-04	6.0E-04	6.3E-04	1.9E-04	1.9E-04	1.9E-04	1.9E-04	1.2E-03	1.4E-03	1.8E-03	1.6E-03
Gly-Asp	1.4E-04	1.5E-04	1.5E-04	1.6E-04	1.3E-04	1.2E-04	1.1E-04	1.2E-04	3.9E-04	4.0E-04	5.2E-04	5.1E-04
ADMA	7.4E-05	7.3E-05	8.3E-05	1.1E-04	5.7E-05	5.0E-05	5.4E-05	6.0E-05	2.8E-05	4.4E-05	5.0E-05	5.4E-05
SDMA	3.1E-05	2.3E-05	3.4E-05	3.9E-05	2.2E-05	1.8E-05	N.D.	2.3E-05	N.D.	1.9E-05	1.2E-05	2.4E-05
Spermine	7.1E-04	7.3E-04	9.8E-04	7.8E-04	3.3E-04	6.1E-04	7.2E-04	6.0E-04	4.7E-04	5.5E-04	5.6E-04	5.6E-04
O-Acetylcarnitine	8.4E-03	1.8E-02	2.2E-02	1.7E-02	1.6E-02	1.7E-02	1.5E-02	1.4E-02	1.2E-02	1.5E-02	9.4E-03	8.2E-03
Trp	6.5E-04	1.0E-03	1.1E-03	7.2E-04	8.0E-04	7.1E-04	9.0E-04	7.5E-04	1.1E-03	8.6E-04	1.0E-03	1.1E-03
Carboxymethyllysine	3.6E-04	4.1E-04	5.0E-04	4.4E-04	6.2E-05	6.1E-05	7.1E-05	6.1E-05	2.4E-04	2.7E-04	2.1E-04	2.5E-04
β-Ala-Lys	7.7E-05	8.7E-05	9.6E-05	8.6E-05	3.0E-05	4.3E-05	3.2E-05	3.1E-05	4.7E-05	5.0E-05	5.2E-05	5.6E-05
Cystathionine	3.9E-05	7.0E-05	5.6E-05	6.4E-05	N.D.	6.1E-05	N.D.	N.D.	N.D.	N.D.	N.D.	5.1E-05
2'-Deoxycytidine	1.9E-05	2.4E-05	2.3E-05	2.4E-05	1.5E-05	1.8E-05	2.4E-05	1.9E-05	2.5E-05	N.D.	2.8E-05	2.3E-05
Carnosine	9.5E-02	1.0E-01	9.8E-02	9.9E-02	3.5E-02	3.8E-02	3.6E-02	3.4E-02	1.0E-01	8.9E-02	1.1E-01	1.0E-01
Ser-Glu	8.1E-05	7.5E-05	7.9E-05	7.2E-05	N.D.	N.D.	N.D.	N.D.	5.8E-05	4.3E-05	5.3E-05	6.0E-05
Homocarnosine	4.8E-02	5.1E-02	4.9E-02	4.5E-02	8.3E-03	6.7E-03	6.7E-03	6.2E-03	4.8E-02	5.1E-02	5.4E-02	5.4E-02
Cytidine	2.6E-05	3.2E-05	3.8E-05	5.7E-05	3.7E-05	N.D.	2.5E-05	4.8E-05	4.8E-05	3.7E-05	4.7E-05	5.2E-05
Pyridoxamine 5'-phosphate	1.3E-04	1.2E-04	1.2E-04	1.3E-04	1.1E-04	1.2E-04	1.1E-04	1.4E-04	1.0E-04	9.4E-05	7.7E-05	9.0E-05
Glycerophosphocholine	7.7E-04	6.3E-04	7.4E-04	7.2E-04	1.2E-03	7.9E-04	8.2E-04	1.1E-03	8.0E-04	7.1E-04	9.9E-04	1.1E-03
Adenosine	1.9E-04	1.6E-04	1.9E-04	2.4E-04	2.2E-04	2.1E-04	2.2E-04	2.0E-04	2.3E-04	2.4E-04	2.0E-04	2.7E-04
Inosine	1.7E-04	2.3E-04	2.5E-04	2.4E-04	2.4E-04	2.3E-04	3.1E-04	3.7E-04	6.0E-04	3.9E-04	3.1E-04	3.8E-04
1-Methyladenosine	1.4E-05	1.8E-05	1.6E-05	2.4E-05	1.9E-05	1.5E-05	1.1E-05	2.6E-05	2.5E-05	2.9E-05	3.3E-05	2.7E-05
Guanosine	9.1E-06	N.D.	N.D.	N.D.	N.D.	N.D.	1.9E-05	N.D.	3.1E-05	1.9E-05	2.1E-05	2.7E-05
Argininosuccinic acid	4.4E-05	7.3E-05	1.3E-04	5.5E-05	4.7E-05	5.9E-05	5.2E-05	4.2E-05	6.4E-05	7.7E-05	9.9E-05	8.3E-05
Glutathione (GSSG)_divalent	1.9E-02	1.1E-02	1.2E-02	1.3E-02	4.7E-03	7.2E-03	5.2E-03	3.6E-03	6.8E-03	9.6E-03	1.2E-02	1.0E-02
Glutathione (GSH)	1.2E-02	2.3E-02	2.3E-02	2.0E-02	1.1E-02	9.3E-03	1.3E-02	1.6E-02	2.2E-02	1.5E-02	2.3E-02	2.9E-02
S-Lactoylglutathione	1.0E-04	1.7E-04	1.8E-04	1.8E-04	8.2E-05	1.0E-04	1.2E-04	1.1E-04	1.2E-04	1.1E-04	9.3E-05	8.6E-05
S-Adenosylmethionine	2.6E-04	3.1E-04	3.0E-04	2.4E-04	2.8E-04	3.3E-04	3.3E-04	3.3E-04	3.2E-04	3.2E-04	4.3E-04	4.5E-04
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Urea
Methylguanidine
Gly
Trimethylamine N-oxide
Crotonic acid
Putrescine
β-Ala
Sarcosine
Ala
3-Hydroxypropionic acid
Cyclohexylamine
1-Aminocyclopropane-1-carboxylic acid ; Homoserinelactone
Hexylamine
γ-Aminobutyric acid
"N,N-Dimethylglycine"
2-Aminoisobutyric acid
N-Methylalanine
Choline
Ser
Hypotaurine
Histamine
Creatinine
Pro
Guanidoacetic acid
Betaine
Val
Thr
Nicotinamide
Taurine
1-Methylhistamine
Pipecolic acid
trans-Glutaconic acid ; Itaconic acid ; Citraconic acid
Hydroxyproline
Ile
Leu
Asn
Creatine
Ornithine
Asp
Adenine
Hypoxanthine
1-Methylnicotinamide
Isoniazid
Tyramine
Stachydrine
4-Guanidinobutyric acid
γ-Butyrobetaine
Spermidine
Gln
Lys
threo-β-methylaspartic acid ; O-Acetylserine
Glu
Met
Triethanolamine
His
2-Aminoadipic acid
N-Methylglutamic acid
Carnitine
5-Hydroxylysine
Phe
1-Methylhistidine ; 3-Methylhistidine
N5-Ethylglutamine
Arg
Citrulline
Pyridine-2-carboxylic acid butyl ester
Tyr
Phosphorylcholine
Nω-Methylarginine
"N6,N6,N6-Trimethyllysine"
Gly-Asp
ADMA
SDMA
Spermine
O-Acetylcarnitine
Trp
Carboxymethyllysine
β-Ala-Lys
Cystathionine
2'-Deoxycytidine
Carnosine
Ser-Glu
Homocarnosine
Cytidine
Pyridoxamine 5'-phosphate
Glycerophosphocholine
Adenosine
Inosine
1-Methyladenosine
Guanosine
Argininosuccinic acid
Glutathione (GSSG)_divalent
Glutathione (GSH)
S-Lactoylglutathione
S-Adenosylmethionine
METABOLITES_END
#END