#METABOLOMICS WORKBENCH Mamo_O_20250120_181451 DATATRACK_ID:5550 STUDY_ID:ST003724 ANALYSIS_ID:AN006645 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                     	Anion Buffer Solution (p/n : I3302-1023)
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                   	I3302-1023) Rinse buffer: Anion Buffer Solution (p/n : I3302-1023) Sample
MS:MS_COMMENTS                   	injection: Pressure injection 50 mbar, 10 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	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
Pyruvic acid	N.D.	N.D.	4.3E-03	2.2E-03	3.2E-03	N.D.	N.D.	2.2E-03	2.4E-03	N.D.	N.D.	2.5E-03	2.4E-03	N.D.	N.D.	2.3E-03	N.D.	N.D.										
Lactic acid	3.6E-01	6.6E-01	7.7E-01	5.1E-01	5.6E-01	5.5E-01	4.5E-01	5.6E-01	4.9E-01	4.6E-01	3.9E-01	4.6E-01	5.5E-01	5.9E-01	4.0E-01	4.7E-01	4.0E-01	3.8E-01										
3-Hydroxybutyric acid	1.5E-03	2.2E-03	1.6E-03	1.2E-03	1.4E-03	1.3E-03	1.5E-03	1.3E-03	1.2E-03	1.9E-03	1.4E-03	1.4E-03	1.5E-03	1.6E-03	1.0E-03	1.1E-03	9.3E-04	1.2E-03										
Fumaric acid	3.4E-03	3.4E-03	3.3E-03	3.2E-03	2.0E-03	2.3E-03	3.1E-03	2.6E-03	3.0E-03	2.8E-03	3.1E-03	3.1E-03	3.2E-03	3.0E-03	3.2E-03	2.8E-03	3.1E-03	3.0E-03										
2-Oxoisovaleric acid	N.D.	N.D.	N.D.	N.D.	5.9E-04	6.6E-04	N.D.	N.D.	5.6E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Succinic acid	1.3E-02	1.5E-02	6.8E-03	1.4E-02	6.3E-03	9.3E-03	8.9E-03	1.1E-02	1.3E-02	2.2E-02	1.6E-02	1.1E-02	1.7E-02	1.0E-02	1.0E-02	8.7E-03	1.1E-02	9.7E-03										
2-Hydroxyisovaleric acid"	5.1E-04	5.6E-04	4.9E-04	3.9E-04	3.2E-04	N.D.	2.9E-04	2.1E-04	3.3E-04	3.0E-04	3.9E-04	3.0E-04	2.8E-04	3.1E-04	N.D.	2.6E-04	3.2E-04	N.D.										
Isethionic acid	8.1E-04	9.0E-04	6.6E-04	7.2E-04	8.2E-04	6.9E-04	6.9E-04	8.3E-04	5.7E-04	8.0E-04	8.8E-04	7.6E-04	8.7E-04	9.7E-04	9.8E-04	7.1E-04	9.0E-04	8.9E-04										
Monoethyl phosphate	3.7E-04	4.8E-04	3.5E-04	3.2E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.5E-04	3.4E-04	N.D.	N.D.	1.8E-04	3.6E-04										
5-Oxoproline	N.D.	2.6E-04	4.2E-04	3.9E-04	2.6E-04	2.4E-04	2.3E-04	3.2E-04	3.2E-04	4.5E-04	2.1E-04	4.6E-04	2.9E-04	3.7E-04	3.9E-04	2.7E-04	3.1E-04	3.6E-04										
2-Oxohexanoic acid"	9.5E-04	6.4E-04	9.3E-04	9.7E-04	1.4E-03	1.4E-03	1.7E-03	1.6E-03	1.4E-03	7.4E-04	5.1E-04	7.9E-04	5.3E-04	1.0E-03	8.1E-04	1.2E-03	1.1E-03	1.4E-03										
Malic acid	1.7E-02	1.9E-02	2.1E-02	2.1E-02	1.4E-02	1.4E-02	1.9E-02	1.5E-02	1.8E-02	1.4E-02	1.7E-02	1.9E-02	1.8E-02	1.6E-02	1.5E-02	1.8E-02	1.5E-02	1.8E-02										
Threonic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.5E-04	N.D.	N.D.	N.D.	3.2E-04	N.D.	3.3E-04	4.5E-04	3.0E-04	N.D.	2.1E-04	3.8E-04										
m-Toluic acid"	6.8E-04	7.2E-04	6.8E-04	1.1E-03	7.8E-04	9.4E-04	7.7E-04	9.2E-04	7.3E-04	1.2E-03	1.3E-03	9.5E-04	1.0E-03	8.6E-04	6.5E-04	8.4E-04	8.6E-04	1.0E-03										
Ethanolamine phosphate	7.4E-04	5.3E-04	6.9E-04	6.6E-04	1.2E-03	8.4E-04	1.5E-03	1.1E-03	9.6E-04	7.2E-04	6.6E-04	9.0E-04	7.4E-04	1.2E-03	1.2E-03	1.1E-03	8.6E-04	1.1E-03										
Monomethyl glutaric acid	N.D.	N.D.	N.D.	N.D.	3.8E-04	3.9E-04	1.5E-04	4.0E-04	3.2E-04	1.7E-04	N.D.	N.D.	3.1E-04	3.4E-04	N.D.	2.0E-04	N.D.	3.3E-04										
Pelargonic acid	3.5E-04	N.D.	N.D.	2.1E-04	N.D.	N.D.	N.D.	2.7E-04	N.D.	N.D.	N.D.	2.3E-04	3.3E-04	2.3E-04	2.2E-04	N.D.	N.D.	N.D.										
N-Acetylthreonine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	5.0E-04	2.3E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Terephthalic acid	3.6E-04	2.6E-04	2.2E-04	3.0E-04	2.4E-04	N.D.	3.1E-04	3.0E-04	2.7E-04	3.9E-04	3.3E-04	3.0E-04	3.5E-04	3.4E-04	3.1E-04	3.7E-04	3.1E-04	3.7E-04										
N-Acetyltaurine	4.5E-04	N.D.	2.6E-04	3.6E-04	N.D.	3.2E-04	2.8E-04	N.D.	N.D.	4.1E-04	4.2E-04	3.2E-04	N.D.	3.0E-04	3.6E-04	2.6E-04	2.6E-04	N.D.										
Phosphoenolpyruvic acid	N.D.	N.D.	8.3E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Uric acid	2.0E-04	2.3E-04	3.5E-04	N.D.	5.8E-04	4.9E-04	5.1E-04	5.3E-04	2.3E-04	2.5E-04	N.D.	N.D.	2.1E-04	3.6E-04	2.7E-04	3.4E-04	3.1E-04	4.1E-04										
Dihydroxyacetone phosphate	5.4E-03	4.4E-03	5.4E-03	8.5E-03	1.9E-03	3.3E-03	1.2E-03	8.1E-03	4.4E-03	2.3E-03	1.7E-03	3.2E-03	7.0E-03	1.6E-03	1.9E-03	6.1E-03	1.4E-03	1.1E-03										
Glycerol 3-phosphate	1.5E-02	1.3E-02	1.1E-02	1.4E-02	1.0E-02	1.5E-02	7.8E-03	1.7E-02	1.5E-02	2.1E-02	1.6E-02	1.2E-02	1.9E-02	1.4E-02	1.2E-02	1.2E-02	1.5E-02	1.3E-02										
cis-Aconitic acid	N.D.	N.D.	N.D.	N.D.	3.3E-04	N.D.	N.D.	N.D.	4.2E-04	N.D.	N.D.	N.D.	4.7E-04	N.D.	N.D.	N.D.	4.9E-04	6.1E-04										
N-Acetylaspartic acid	N.D.	3.7E-04	N.D.	N.D.	3.9E-04	6.7E-04	6.2E-04	7.2E-04	5.4E-04	N.D.	N.D.	N.D.	4.8E-04	4.6E-04	6.3E-04	4.6E-04	N.D.	4.7E-04										
Ascorbic acid	8.7E-04	1.6E-03	1.4E-03	3.9E-04	5.9E-04	3.1E-04	2.2E-03	8.3E-04	N.D.	1.1E-03	8.1E-04	5.4E-04	3.1E-04	1.7E-03	N.D.	9.1E-04	N.D.	6.8E-04										
Hippuric acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.5E-04	N.D.	1.5E-04	N.D.	N.D.	N.D.	2.1E-04										
3-Phosphoglyceric acid	5.8E-04	N.D.	1.4E-03	3.9E-04	4.4E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.4E-04	N.D.	N.D.	N.D.	N.D.	N.D.										
Citric acid	1.3E-02	1.0E-02	1.1E-02	1.1E-02	1.0E-02	1.1E-02	1.1E-02	1.0E-02	9.2E-03	9.9E-03	1.2E-02	1.1E-02	1.1E-02	1.1E-02	1.1E-02	1.2E-02	9.6E-03	1.2E-02										
Gluconic acid	N.D.	4.4E-04	4.4E-04	N.D.	4.4E-04	N.D.	N.D.	3.5E-04	3.8E-04	3.0E-04	3.7E-04	4.4E-04	4.6E-04	5.6E-04	4.4E-04	4.9E-04	N.D.	N.D.										
Lauric acid	9.8E-04	6.7E-04	4.4E-04	9.9E-04	6.9E-04	7.5E-04	8.0E-04	1.1E-03	8.1E-04	9.6E-04	7.3E-04	8.9E-04	1.1E-03	9.4E-04	1.0E-03	1.3E-03	1.0E-03	9.0E-04										
Mucic acid	3.3E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Phosphocreatine	1.0E-01	2.0E-02	2.7E-02	2.8E-02	1.1E-02	2.8E-02	9.1E-03	3.6E-02	5.7E-02	5.6E-02	5.4E-02	4.6E-02	1.7E-02	1.5E-02	5.3E-02	4.5E-02	7.4E-02	8.3E-02										
3-Indoxylsulfuric acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.4E-04	N.D.	3.5E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Pantothenic acid	3.2E-04	3.9E-04	2.4E-04	2.9E-04	1.9E-04	2.6E-04	N.D.	N.D.	2.2E-04	5.9E-04	3.6E-04	5.0E-04	5.6E-04	8.9E-04	4.9E-04	7.8E-04	4.0E-04	5.6E-04										
Myristic acid	4.0E-04	2.3E-04	N.D.	3.7E-04	2.6E-04	4.4E-04	4.0E-04	4.4E-04	3.4E-04	4.9E-04	3.5E-04	3.6E-04	4.2E-04	3.7E-04	4.0E-04	4.2E-04	4.7E-04	4.3E-04										
Ribulose 5-phosphate	4.2E-04	5.9E-04	8.0E-04	4.7E-04	1.2E-03	7.7E-04	1.0E-03	9.3E-04	1.3E-03	N.D.	4.9E-04	4.8E-04	7.5E-04	8.4E-04	6.0E-04	9.0E-04	4.1E-04	4.2E-04										
myo-Inositol 1-phosphate"	1.2E-03	1.3E-03	7.3E-04	1.4E-03	1.3E-03	1.2E-03	1.1E-03	1.4E-03	1.4E-03	1.1E-03	1.3E-03	1.5E-03	1.4E-03	1.2E-03	1.5E-03	1.4E-03	1.2E-03	1.3E-03										
Glucose 1-phosphate	1.8E-03	1.9E-03	1.6E-03	2.7E-03	1.8E-03	3.6E-03	4.9E-04	2.3E-03	2.1E-03	3.6E-03	2.0E-03	3.2E-03	3.0E-03	2.3E-03	2.2E-03	2.1E-03	2.8E-03	3.6E-03										
Glucose 6-phosphate	3.4E-02	3.6E-02	2.4E-02	5.5E-02	3.7E-02	7.1E-02	6.9E-03	4.4E-02	4.6E-02	6.4E-02	4.0E-02	5.2E-02	5.5E-02	3.7E-02	3.5E-02	4.2E-02	5.3E-02	6.4E-02										
Fructose 6-phosphate	1.1E-02	1.0E-02	7.6E-03	1.4E-02	1.0E-02	1.8E-02	2.5E-03	1.1E-02	1.2E-02	1.9E-02	1.0E-02	1.5E-02	1.8E-02	1.2E-02	9.6E-03	1.3E-02	1.4E-02	1.6E-02										
N-Acetylaspartylglutamic acid	N.D.	N.D.	N.D.	N.D.	6.8E-04	6.6E-04	1.6E-03	1.1E-03	6.3E-04	N.D.	3.8E-04	N.D.	N.D.	6.8E-04	5.0E-04	6.4E-04	N.D.	7.4E-04										
CMP	N.D.	N.D.	2.9E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
UMP	N.D.	4.9E-04	7.7E-04	N.D.	3.3E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
"Fructose 1,6-diphosphate"	2.6E-02	3.5E-02	9.6E-03	4.2E-02	1.3E-02	2.5E-02	4.8E-04	2.3E-02	1.5E-02	1.6E-02	2.2E-02	3.7E-02	3.7E-02	1.8E-02	2.4E-02	3.2E-02	2.3E-02	5.8E-03										
AMP	N.D.	N.D.	N.D.	N.D.	2.8E-04	N.D.	1.1E-03	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
IMP	5.4E-03	9.7E-02	1.5E-01	2.5E-02	6.4E-02	2.3E-02	4.1E-02	1.8E-02	1.3E-02	6.3E-03	1.6E-02	1.8E-02	3.6E-02	5.0E-02	1.1E-02	1.1E-02	9.8E-03	1.1E-02										
GMP	N.D.	2.9E-04	4.1E-04	N.D.	2.4E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
CoA_divalent	4.1E-04	2.3E-04	N.D.	3.0E-04	2.3E-04	3.3E-04	N.D.	5.1E-04	2.3E-04	3.8E-04	4.0E-04	4.2E-04	4.6E-04	3.2E-04	5.6E-04	4.7E-04	4.0E-04	4.0E-04										
PRPP	6.3E-04	5.7E-04	5.6E-04	5.9E-04	3.2E-04	N.D.	4.3E-04	N.D.	7.8E-04	N.D.	N.D.	5.2E-04	3.6E-04	N.D.	N.D.	2.6E-04	N.D.	N.D.										
UDP	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	7.4E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
"3',5'-ADP"	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.	1.1E-03	N.D.	N.D.	N.D.	N.D.										
ADP	4.0E-03	2.8E-03	9.0E-04	5.8E-03	8.0E-03	6.0E-03	1.4E-02	7.3E-03	3.7E-03	5.4E-03	4.9E-03	5.0E-03	7.4E-03	7.5E-03	7.0E-03	5.3E-03	5.8E-03	5.3E-03										
GDP	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.2E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Adenylosuccinic acid	N.D.	1.2E-03	1.0E-03	2.8E-04	4.0E-04	N.D.	4.8E-04	N.D.	N.D.	N.D.	N.D.	N.D.	6.0E-04	4.7E-04	N.D.	2.5E-04	N.D.	N.D.										
CTP	9.0E-04	9.5E-04	7.6E-04	1.1E-03	1.1E-03	9.4E-04	2.5E-03	1.3E-03	9.1E-04	8.8E-04	9.1E-04	1.1E-03	1.2E-03	1.1E-03	1.0E-03	1.2E-03	1.0E-03	1.1E-03										
UTP	4.4E-03	2.9E-03	2.7E-03	4.3E-03	4.4E-03	4.0E-03	8.1E-03	5.5E-03	5.0E-03	4.4E-03	4.5E-03	4.9E-03	4.6E-03	5.1E-03	4.9E-03	6.2E-03	5.0E-03	6.6E-03										
CDP-choline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.8E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
ATP	3.3E-01	1.6E-01	7.3E-02	2.9E-01	2.3E-01	3.2E-01	2.7E-01	3.4E-01	3.4E-01	3.5E-01	3.1E-01	3.2E-01	2.8E-01	2.7E-01	3.5E-01	3.7E-01	3.6E-01	3.6E-01										
GTP	3.0E-03	2.5E-03	2.4E-03	3.2E-03	3.0E-03	3.0E-03	5.2E-03	3.8E-03	3.9E-03	3.5E-03	3.2E-03	3.3E-03	3.0E-03	3.7E-03	3.4E-03	4.1E-03	3.5E-03	3.7E-03										
ADP-ribose	N.D.	3.1E-04	5.7E-04	2.9E-04	2.5E-04	2.6E-04	N.D.	4.1E-04	5.0E-04	N.D.	N.D.	2.5E-04	3.5E-04	3.4E-04	2.4E-04	3.0E-04	N.D.	N.D.										
UDP-glucose"	4.5E-04	4.4E-04	4.3E-04	4.9E-04	5.7E-04	5.0E-04	1.9E-03	6.6E-04	7.4E-04	6.0E-04	5.4E-04	5.7E-04	5.2E-04	6.7E-04	6.3E-04	6.7E-04	5.0E-04	7.6E-04										
UDP-N-acetylgalactosamine"	4.8E-04	5.4E-04	5.3E-04	5.7E-04	7.9E-04	8.3E-04	1.5E-03	8.8E-04	8.0E-04	6.6E-04	6.9E-04	7.0E-04	6.6E-04	1.3E-03	7.2E-04	1.2E-03	7.7E-04	1.1E-03										
CMP-N-acetylneuraminate	N.D.	2.4E-04	N.D.	N.D.	3.1E-04	2.8E-04	5.0E-04	3.1E-04	3.6E-04	3.1E-04	3.0E-04	2.4E-04	2.5E-04	3.4E-04	3.7E-04	3.9E-04	2.9E-04	3.0E-04										
NAD+	1.0E-02	8.8E-03	7.1E-03	9.3E-03	7.0E-03	8.1E-03	1.0E-02	9.5E-03	7.6E-03	1.2E-02	1.1E-02	1.0E-02	1.0E-02	8.4E-03	9.5E-03	1.0E-02	9.5E-03	1.1E-02										
NADH	N.D.	2.8E-04	N.D.	2.3E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.3E-04	1.7E-04	N.D.	N.D.	N.D.	N.D.	2.8E-04	N.D.										
NADP+	3.0E-04	2.2E-04	N.D.	2.6E-04	N.D.	N.D.	3.4E-04	N.D.	N.D.	N.D.	3.1E-04	N.D.	2.3E-04	N.D.	2.8E-04	2.9E-04	2.8E-04	3.0E-04										
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Pyruvic acid
Lactic acid
3-Hydroxybutyric acid
Fumaric acid
2-Oxoisovaleric acid
Succinic acid
2-Hydroxyisovaleric acid"
Isethionic acid
Monoethyl phosphate
5-Oxoproline
2-Oxohexanoic acid"
Malic acid
Threonic acid
m-Toluic acid"
Ethanolamine phosphate
Monomethyl glutaric acid
Pelargonic acid
N-Acetylthreonine
Terephthalic acid
N-Acetyltaurine
Phosphoenolpyruvic acid
Uric acid
Dihydroxyacetone phosphate
Glycerol 3-phosphate
cis-Aconitic acid
N-Acetylaspartic acid
Ascorbic acid
Hippuric acid
3-Phosphoglyceric acid
Citric acid
Gluconic acid
Lauric acid
Mucic acid
Phosphocreatine
3-Indoxylsulfuric acid
Pantothenic acid
Myristic acid
Ribulose 5-phosphate
myo-Inositol 1-phosphate"
Glucose 1-phosphate
Glucose 6-phosphate
Fructose 6-phosphate
N-Acetylaspartylglutamic acid
CMP
UMP
"Fructose 1,6-diphosphate"
AMP
IMP
GMP
CoA_divalent
PRPP
UDP
"3',5'-ADP"
ADP
GDP
Adenylosuccinic acid
CTP
UTP
CDP-choline
ATP
GTP
ADP-ribose
UDP-glucose"
UDP-N-acetylgalactosamine"
CMP-N-acetylneuraminate
NAD+
NADH
NADP+
METABOLITES_END
#END