#METABOLOMICS WORKBENCH Mamo_O_20250115_224355 DATATRACK_ID:5532 STUDY_ID:ST003721 ANALYSIS_ID:AN006639 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                     	Anion Buffer Solution (p/n : H3302-1021 for run buffer and p/n : H3302-1022 for
CH:SOLVENT_A                     	rinse buffer)
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                      	NEGATIVE
MS:MS_COMMENTS                   	CE-TOFMS(Basic) negative(Anion) mode Run buffer : Anion Buffer Solution ( p/n :
MS:MS_COMMENTS                   	H3302-1021) Rinse buffer : Anion Buffer Solution ( p/n : H3302-1022) Sample
MS:MS_COMMENTS                   	injection : Pressure injection 50 mbar, 25 sec CE voltage : Positive, 30 kV MS
MS:MS_COMMENTS                   	ionization : ESI Negative MS capillary voltage : 3,500 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
Pyruvic acid	6.2E-04	8.0E-04	7.1E-04	6.5E-04	3.9E-04	3.2E-04	3.7E-04	2.3E-04	7.0E-04	7.0E-04	6.2E-04	7.1E-04
Lactic acid	1.6E-01	2.3E-01	2.1E-01	1.8E-01	2.0E-01	2.0E-01	1.6E-01	3.3E-01	1.8E-01	1.5E-01	1.2E-01	1.2E-01
2-Hydroxybutyric acid	5.3E-05	1.4E-04	1.3E-04	7.0E-05	1.1E-04	1.4E-04	1.6E-04	1.3E-04	1.4E-04	1.3E-04	1.1E-04	6.9E-05
2-Hydroxyisobutyric acid	5.3E-05	3.9E-05	4.1E-05	3.5E-05	4.9E-05	3.3E-05	2.9E-05	4.7E-05	2.8E-05	2.1E-05	1.2E-05	1.9E-05
3-Hydroxybutyric acid	2.6E-04	8.5E-04	8.3E-04	5.0E-04	1.2E-03	9.3E-04	1.0E-03	1.5E-03	5.1E-04	5.9E-04	4.9E-04	3.3E-04
Fumaric acid	5.7E-04	6.6E-04	7.8E-04	6.0E-04	5.0E-04	6.0E-04	6.8E-04	7.7E-04	5.6E-04	6.4E-04	5.6E-04	5.8E-04
2-Oxoisovaleric acid	N.D.	8.1E-05	8.7E-05	5.6E-05	7.5E-05	N.D.	9.9E-05	N.D.	N.D.	7.4E-05	N.D.	N.D.
Succinic acid	4.4E-03	5.8E-03	7.2E-03	4.6E-03	6.5E-03	5.9E-03	4.5E-03	7.2E-03	3.4E-03	2.9E-03	2.5E-03	2.4E-03
2-Hydroxypentanoic acid	1.3E-04	1.5E-04	1.5E-04	1.7E-04	1.1E-04	1.4E-04	1.3E-04	1.3E-04	1.2E-04	1.0E-04	1.1E-04	1.3E-04
Isethionic acid	1.9E-04	2.1E-04	2.1E-04	2.0E-04	1.4E-04	1.5E-04	1.6E-04	1.2E-04	1.2E-04	1.3E-04	1.1E-04	1.2E-04
5-Oxoproline	1.2E-04	1.1E-04	9.7E-05	1.1E-04	1.1E-04	1.1E-04	1.3E-04	1.2E-04	8.9E-05	7.2E-05	9.8E-05	1.2E-04
4-Methyl-2-oxopentanoic acid ; 3-Methyl-2-oxovaleric acid	1.1E-04	1.6E-04	2.0E-04	2.1E-04	9.4E-05	1.1E-04	1.4E-04	N.D.	1.9E-04	1.8E-04	1.5E-04	1.4E-04
Malic acid	4.2E-03	4.7E-03	5.8E-03	4.8E-03	4.3E-03	5.1E-03	4.7E-03	5.8E-03	4.7E-03	4.8E-03	4.1E-03	4.4E-03
Threonic acid	2.3E-04	2.3E-04	2.1E-04	1.9E-04	1.8E-04	1.9E-04	1.7E-04	1.6E-04	2.0E-04	2.5E-04	2.7E-04	2.5E-04
Ethanolamine phosphate	3.6E-04	3.6E-04	4.1E-04	3.6E-04	4.8E-04	4.5E-04	4.6E-04	4.8E-04	5.9E-04	3.5E-04	5.7E-04	5.9E-04
Phosphoenolpyruvic acid	9.1E-05	6.2E-05	3.6E-05	9.4E-05	2.2E-04	2.1E-04	2.4E-04	3.8E-04	1.2E-04	1.8E-04	1.7E-04	1.2E-04
Uric acid	4.3E-05	6.4E-05	1.3E-04	5.3E-05	8.1E-05	9.4E-05	1.0E-04	1.0E-04	1.2E-04	1.1E-04	1.1E-04	9.1E-05
Cysteic acid	N.D.	N.D.	N.D.	N.D.	3.4E-05	4.5E-05	5.3E-05	4.7E-05	N.D.	N.D.	N.D.	N.D.
Dihydroxyacetone phosphate	4.7E-04	7.3E-04	9.8E-04	4.4E-04	3.1E-04	3.3E-04	3.7E-04	6.8E-04	2.6E-04	3.3E-04	3.0E-04	2.4E-04
Glycerol-3-phosphate	7.4E-03	1.2E-02	1.6E-02	9.1E-03	8.6E-03	9.5E-03	8.9E-03	9.0E-03	6.3E-03	6.0E-03	5.6E-03	4.8E-03
N-Acetylaspartic acid	2.0E-04	1.9E-04	2.5E-04	2.2E-04	3.1E-04	2.5E-04	2.8E-04	2.7E-04	2.3E-04	1.9E-04	2.2E-04	2.8E-04
Ascorbic acid	6.7E-04	6.7E-04	6.5E-04	4.7E-04	4.8E-04	3.3E-04	4.9E-04	5.9E-04	1.2E-03	6.6E-04	1.1E-03	1.4E-03
2-Phosphoglyceric acid	4.1E-04	3.9E-04	3.3E-04	4.0E-04	3.4E-04	3.7E-04	3.9E-04	4.6E-04	3.1E-04	3.6E-04	3.2E-04	2.9E-04
3-Phosphoglyceric acid	3.2E-03	3.5E-03	2.8E-03	3.1E-03	2.6E-03	2.8E-03	3.0E-03	3.3E-03	2.0E-03	2.3E-03	1.9E-03	2.0E-03
Citric acid	2.8E-03	2.3E-03	3.6E-03	2.9E-03	2.0E-03	2.5E-03	3.2E-03	2.2E-03	2.8E-03	2.6E-03	2.7E-03	2.8E-03
Isocitric acid	9.9E-05	4.4E-05	1.2E-04	9.7E-05	4.7E-05	5.0E-05	5.8E-05	4.3E-05	4.7E-05	5.4E-05	4.8E-05	4.6E-05
Gluconic acid	4.2E-05	4.8E-05	6.0E-05	4.3E-05	5.9E-05	8.1E-05	8.3E-05	8.0E-05	6.9E-05	4.7E-05	6.7E-05	7.1E-05
Phosphocreatine	3.4E-02	2.7E-02	2.4E-02	2.9E-02	2.1E-02	2.4E-02	3.0E-02	1.0E-02	2.2E-02	2.6E-02	2.8E-02	2.7E-02
Pantothenic acid	1.5E-04	1.9E-04	1.6E-04	1.4E-04	1.6E-04	2.0E-04	2.2E-04	1.7E-04	4.3E-05	4.0E-05	3.8E-05	2.8E-05
Ribulose 5-phosphate	6.5E-05	9.1E-05	8.9E-05	7.4E-05	9.1E-05	1.0E-04	1.1E-04	1.4E-04	1.7E-04	1.2E-04	1.1E-04	1.1E-04
2-Deoxyglucose 6-phosphate	5.9E-05	5.0E-05	3.9E-05	6.3E-05	4.4E-05	2.7E-05	3.8E-05	N.D.	5.2E-05	4.7E-05	4.9E-05	5.7E-05
Ganciclovir	8.3E-05	1.7E-04	1.4E-04	1.3E-04	9.6E-05	8.3E-05	9.6E-05	2.1E-04	9.3E-05	8.0E-05	1.0E-04	1.1E-04
Fructose 6-phosphate	1.4E-03	1.7E-03	2.7E-03	1.7E-03	7.4E-04	1.0E-03	9.9E-04	1.9E-03	6.5E-04	6.4E-04	2.7E-04	2.7E-04
Glucose 1-phosphate	4.5E-04	6.0E-04	8.8E-04	4.8E-04	2.7E-04	3.6E-04	4.2E-04	6.6E-04	2.3E-04	2.4E-04	1.5E-04	1.2E-04
Glucose 6-phosphate	1.0E-02	1.4E-02	2.1E-02	1.2E-02	4.8E-03	7.2E-03	7.0E-03	1.3E-02	4.2E-03	4.2E-03	1.6E-03	1.5E-03
"2,3-Diphosphoglyceric acid"	2.5E-04	2.2E-04	2.1E-04	2.4E-04	1.2E-04	1.8E-04	1.9E-04	9.4E-05	1.3E-04	1.9E-04	1.8E-04	1.6E-04
CMP	1.4E-05	2.5E-05	1.8E-05	1.7E-05	5.5E-05	5.8E-05	4.2E-05	9.4E-05	4.3E-05	2.7E-05	3.7E-05	4.6E-05
UMP	5.0E-05	6.7E-05	5.4E-05	5.4E-05	1.7E-04	1.4E-04	1.3E-04	2.7E-04	1.2E-04	7.3E-05	9.8E-05	1.2E-04
"Fructose 1,6-diphosphate"	1.6E-02	2.0E-02	2.3E-02	2.0E-02	1.0E-02	1.2E-02	1.3E-02	1.5E-02	6.9E-03	7.6E-03	4.8E-03	4.1E-03
AMP	1.1E-03	1.4E-03	1.3E-03	9.3E-04	2.1E-03	2.2E-03	1.9E-03	2.1E-03	1.5E-03	7.4E-04	1.2E-03	1.6E-03
IMP	1.5E-02	2.0E-02	1.4E-02	1.8E-02	2.8E-02	2.1E-02	2.1E-02	3.8E-02	1.8E-02	1.6E-02	1.3E-02	1.7E-02
GMP	3.9E-05	5.0E-05	4.5E-05	4.0E-05	8.9E-05	9.0E-05	7.4E-05	1.6E-04	7.8E-05	4.8E-05	6.3E-05	7.0E-05
NADPH_divalent	8.0E-05	1.0E-04	1.0E-04	8.8E-05	9.8E-05	9.6E-05	1.0E-04	7.8E-05	8.4E-05	7.9E-05	8.6E-05	8.4E-05
CoA_divalent	3.2E-05	1.0E-04	1.0E-04	8.3E-05	7.8E-05	9.6E-05	1.3E-04	7.5E-05	9.4E-05	7.7E-05	7.4E-05	7.5E-05
FAD_divalent	5.3E-05	5.2E-05	5.8E-05	5.5E-05	4.1E-05	4.8E-05	4.8E-05	4.7E-05	5.1E-05	4.3E-05	4.6E-05	4.6E-05
CDP	5.0E-05	6.0E-05	5.3E-05	5.1E-05	9.5E-05	9.0E-05	7.3E-05	1.1E-04	7.4E-05	5.2E-05	7.9E-05	1.1E-04
UDP	1.3E-04	1.6E-04	1.5E-04	1.5E-04	2.4E-04	2.2E-04	2.0E-04	2.8E-04	2.0E-04	1.5E-04	1.9E-04	2.4E-04
Trehalose 6-phosphate	5.0E-05	5.2E-05	5.7E-05	6.2E-05	7.5E-05	6.4E-05	7.0E-05	7.6E-05	7.9E-05	7.0E-05	7.8E-05	8.8E-05
"Adenosine 3',5'-diphosphate"	4.1E-05	4.3E-05	3.8E-05	4.6E-05	6.6E-05	5.2E-05	4.8E-05	7.8E-05	4.1E-05	3.7E-05	3.4E-05	N.D.
ADP	6.7E-03	6.9E-03	6.4E-03	6.3E-03	7.2E-03	6.6E-03	7.4E-03	5.9E-03	6.3E-03	4.6E-03	6.6E-03	6.6E-03
GDP	1.0E-04	1.2E-04	1.0E-04	1.1E-04	1.6E-04	1.7E-04	1.6E-04	2.3E-04	1.3E-04	1.1E-04	1.5E-04	1.8E-04
Adenylosuccinic acid	2.3E-05	3.5E-05	3.3E-05	3.3E-05	3.5E-05	5.8E-05	3.2E-05	9.9E-05	4.2E-05	2.9E-05	3.6E-05	3.4E-05
CTP	1.1E-04	9.4E-05	8.7E-05	9.9E-05	1.1E-04	1.3E-04	1.2E-04	1.3E-04	1.7E-04	1.8E-04	2.3E-04	1.9E-04
UTP	7.0E-04	6.3E-04	6.7E-04	7.7E-04	5.6E-04	6.3E-04	6.4E-04	5.9E-04	8.0E-04	8.7E-04	9.6E-04	9.0E-04
ATP	4.4E-02	5.0E-02	4.5E-02	5.0E-02	3.6E-02	4.1E-02	4.5E-02	3.3E-02	4.6E-02	4.9E-02	5.2E-02	4.8E-02
GTP	2.6E-04	2.3E-04	2.6E-04	3.2E-04	2.5E-04	3.1E-04	3.3E-04	3.0E-04	3.7E-04	3.5E-04	5.5E-04	4.5E-04
ADP-ribose	1.0E-04	1.8E-04	1.9E-04	1.1E-04	1.3E-04	1.0E-04	1.1E-04	1.2E-04	1.3E-04	1.1E-04	1.3E-04	1.4E-04
UDP-glucose ; UDP-galactose	6.1E-05	6.0E-05	6.3E-05	7.3E-05	7.2E-05	7.8E-05	6.7E-05	8.7E-05	1.7E-04	1.2E-04	2.4E-04	3.1E-04
UDP-N-acetylglucosamine	8.4E-05	9.4E-05	1.0E-04	9.9E-05	1.1E-04	1.2E-04	9.8E-05	1.4E-04	1.6E-04	1.1E-04	1.6E-04	1.7E-04
CMP-N-acetylneuraminate	4.6E-05	5.2E-05	4.9E-05	4.5E-05	3.9E-05	1.8E-05	2.3E-05	3.3E-05	7.6E-05	7.2E-05	9.6E-05	1.0E-04
NAD+	2.0E-03	1.9E-03	2.2E-03	2.0E-03	1.9E-03	1.8E-03	2.1E-03	1.9E-03	1.8E-03	1.7E-03	2.0E-03	2.1E-03
NADH	2.1E-04	2.5E-04	2.8E-04	2.4E-04	2.5E-04	2.8E-04	2.2E-04	4.8E-04	1.5E-04	1.9E-04	1.6E-04	1.9E-04
NADP+	3.5E-05	3.1E-05	3.8E-05	3.2E-05	2.6E-05	3.1E-05	2.7E-05	2.5E-05	3.2E-05	2.4E-05	3.1E-05	3.9E-05
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Pyruvic acid
Lactic acid
2-Hydroxybutyric acid
2-Hydroxyisobutyric acid
3-Hydroxybutyric acid
Fumaric acid
2-Oxoisovaleric acid
Succinic acid
2-Hydroxypentanoic acid
Isethionic acid
5-Oxoproline
4-Methyl-2-oxopentanoic acid ; 3-Methyl-2-oxovaleric acid
Malic acid
Threonic acid
Ethanolamine phosphate
Phosphoenolpyruvic acid
Uric acid
Cysteic acid
Dihydroxyacetone phosphate
Glycerol-3-phosphate
N-Acetylaspartic acid
Ascorbic acid
2-Phosphoglyceric acid
3-Phosphoglyceric acid
Citric acid
Isocitric acid
Gluconic acid
Phosphocreatine
Pantothenic acid
Ribulose 5-phosphate
2-Deoxyglucose 6-phosphate
Ganciclovir
Fructose 6-phosphate
Glucose 1-phosphate
Glucose 6-phosphate
"2,3-Diphosphoglyceric acid"
CMP
UMP
"Fructose 1,6-diphosphate"
AMP
IMP
GMP
NADPH_divalent
CoA_divalent
FAD_divalent
CDP
UDP
Trehalose 6-phosphate
"Adenosine 3',5'-diphosphate"
ADP
GDP
Adenylosuccinic acid
CTP
UTP
ATP
GTP
ADP-ribose
UDP-glucose ; UDP-galactose
UDP-N-acetylglucosamine
CMP-N-acetylneuraminate
NAD+
NADH
NADP+
METABOLITES_END
#END