#METABOLOMICS WORKBENCH Mamo_O_20250120_175148 DATATRACK_ID:5549 STUDY_ID:ST003723 ANALYSIS_ID:AN006642 PROJECT_ID:PR002312
VERSION             	1
CREATED_ON             	July 6, 2025, 8:21 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic changes in skeletal muscle during starvation and cancer cachexia in
PR:PROJECT_TITLE                 	mice.
PR:PROJECT_SUMMARY               	To better understand the metabolic changes in skeletal muscle during starvation
PR:PROJECT_SUMMARY               	and cancer cachexia, we performed a metabolomic analysis of skeletal muscle
PR:PROJECT_SUMMARY               	(gastrocnemius muscle) from 4-month-old LLC tumor-bearing C57BL/6J male mice,
PR:PROJECT_SUMMARY               	4-month-old C57BL/6J male mice fasted for 48 hours (starved mice), and
PR:PROJECT_SUMMARY               	4-month-old 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 fed, starved and tumor-bearing
ST:STUDY_TITLE                   	mice.
ST:STUDY_SUMMARY                 	Improving muscle wasting in cachexia, a complex syndrome of severe muscle
ST:STUDY_SUMMARY                 	wasting associated with diseases such as cancer, is important in reducing
ST:STUDY_SUMMARY                 	resistance to cancer treatment and precocious death. However, the techniques to
ST:STUDY_SUMMARY                 	treat or reverse cancer cachexia have not been identified due to the complexity
ST:STUDY_SUMMARY                 	and opacity of the molecular mechanisms underlying muscle wasting. To better
ST:STUDY_SUMMARY                 	understand the metabolic changes in skeletal muscle during starvation and cancer
ST:STUDY_SUMMARY                 	cachexia, we performed a metabolomic analysis of skeletal muscle (gastrocnemius
ST:STUDY_SUMMARY                 	muscle) from 4-month-old LLC tumor-bearing C57BL/6J male mice, 4-month-old
ST:STUDY_SUMMARY                 	C57BL/6J male mice fasted for 48 hours (starved mice), and 4-month-old control
ST:STUDY_SUMMARY                 	male mice using CE-TOFMS. Our data show that cancer cachexia and starvation
ST:STUDY_SUMMARY                 	induce dynamic metabolomic remodeling of the skeletal muscle, with a particular
ST:STUDY_SUMMARY                 	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
SU:AGE_OR_AGE_RANGE              	4-month-old
SU:WEIGHT_OR_WEIGHT_RANGE        	30.65 g, 27.61 g, 27.33 g, and 29.45 g, for control mice (n = 4), 20.32 g, 21.88
SU:WEIGHT_OR_WEIGHT_RANGE        	g, 20.85 g, and 21.01 g for starved mice (n = 4), and 24.63 g, 28.2 g, 25.82 g,
SU:WEIGHT_OR_WEIGHT_RANGE        	27.73 g, and 24.04 g for tumor-bearing 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	Control-1	Group:Control | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_001_Control-1_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_001_Control-1_d1.mzML
SUBJECT_SAMPLE_FACTORS           	002	Control-2	Group:Control | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_002_Control-2_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_002_Control-2_d1.mzML
SUBJECT_SAMPLE_FACTORS           	003	Control-3	Group:Control | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_003_Control-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_003_Control-3_d1.mzML
SUBJECT_SAMPLE_FACTORS           	004	Control-4	Group:Control | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_004_Control-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_004_Control-4_d1.mzML
SUBJECT_SAMPLE_FACTORS           	005	48h-Fast-1	Group:48h-Fasting | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Fasting | Time:48 h	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_005_48h-Fast-1_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_005_48h-Fast-1_d1.mzML
SUBJECT_SAMPLE_FACTORS           	006	48h-Fast-2	Group:48h-Fasting | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Fasting | Time:48 h	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_006_48h-Fast-2_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_006_48h-Fast-2_d1.mzML
SUBJECT_SAMPLE_FACTORS           	007	48h-Fast-3	Group:48h-Fasting | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Fasting | Time:48 h	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_007_48h-Fast-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_007_48h-Fast-3_d1.mzML
SUBJECT_SAMPLE_FACTORS           	008	48h-Fast-4	Group:48h-Fasting | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Fasting | Time:48 h	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_008_48h-Fast-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_008_48h-Fast-4_d1.mzML
SUBJECT_SAMPLE_FACTORS           	009	LLC-1	Group:LLC-cachexia | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:LLC cell s.c. injection | Time:4 weeks	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_009_LLC-1_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_009_LLC-1_d1.mzML
SUBJECT_SAMPLE_FACTORS           	010	LLC-2	Group:LLC-cachexia | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:LLC cell s.c. injection | Time:4 weeks	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_010_LLC-2_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_010_LLC-2_d1.mzML
SUBJECT_SAMPLE_FACTORS           	011	LLC-3	Group:LLC-cachexia | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:LLC cell s.c. injection | Time:4 weeks	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_011_LLC-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_011_LLC-3_d1.mzML
SUBJECT_SAMPLE_FACTORS           	012	LLC-4	Group:LLC-cachexia | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:LLC cell s.c. injection | Time:4 weeks	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_012_LLC-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_012_LLC-4_d1.mzML
SUBJECT_SAMPLE_FACTORS           	013	LLC-5	Group:LLC-cachexia | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:LLC cell s.c. injection | Time:4 weeks	RAW_FILE_NAME(raw data file name_anion)=KPUUB018-1_A_20231129_013_LLC-5_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=KPUUB018-1_C_20231203_013_LLC-5_d1.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Gastrocnemius muscles from 4-month-old LLC tumor-bearing C57BL/6J male mice,
CO:COLLECTION_SUMMARY            	4-month-old C57BL/6J male mice fasted for 48 hours (starved mice), and
CO:COLLECTION_SUMMARY            	4-month-old control male mice were collected and snap frozen in liquid nitrogen
CO:COLLECTION_SUMMARY            	(n = 4–5 mice/group).
CO:SAMPLE_TYPE                   	Muscle
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Tumor-bearing C57BL/6J male mice were generated by subcutaneous implantation of
TR:TREATMENT_SUMMARY             	5 × 106 Lewis lung carcinoma (LLC) cells dissolved in 100 μL PBS into the
TR:TREATMENT_SUMMARY             	lower back of mice at 3 months of age using a two-stage needle under anesthesia.
TR:TREATMENT_SUMMARY             	Mice injected with PBS alone were used as controls. The mice were sacrificed 4
TR:TREATMENT_SUMMARY             	weeks after the injection. For fasting experiments, 4-month-old C57BL/6J male
TR:TREATMENT_SUMMARY             	mice were separated into individual cages and deprived of food for 48 h from 9
TR:TREATMENT_SUMMARY             	a.m. to 9 a.m. Mice were purchased at the same time as the mice used for LLC
TR:TREATMENT_SUMMARY             	cancer cachexia model (fasting was started 2 days before dissection of the
TR:TREATMENT_SUMMARY             	cachexia model mice to match the timing of dissection of the cachexia model mice
TR:TREATMENT_SUMMARY             	with that of the starvation model mice).
#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	Control-1	Control-2	Control-3	Control-4	48h-Fast-1	48h-Fast-2	48h-Fast-3	48h-Fast-4	LLC-1	LLC-2	LLC-3	LLC-4	LLC-5										
Factors	Group:Control | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	Group:Control | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	Group:Control | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	Group:Control | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Control | Time:-	Group:48h-Fasting | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Fasting | Time:48 h	Group:48h-Fasting | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Fasting | Time:48 h	Group:48h-Fasting | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Fasting | Time:48 h	Group:48h-Fasting | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:Fasting | Time:48 h	Group:LLC-cachexia | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:LLC cell s.c. injection | Time:4 weeks	Group:LLC-cachexia | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:LLC cell s.c. injection | Time:4 weeks	Group:LLC-cachexia | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:LLC cell s.c. injection | Time:4 weeks	Group:LLC-cachexia | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:LLC cell s.c. injection | Time:4 weeks	Group:LLC-cachexia | Sample source:Gastrocnemius muscle | Genotype:wild-type | Treatment:LLC cell s.c. injection | Time:4 weeks
Trimethylamine	N.D.	N.D.	N.D.	N.D.	N.D.	2.8E-04	N.D.	N.D.	2.4E-04	2.1E-04	N.D.	1.7E-04	N.D.										
Urea	3.2E-01	3.1E-01	3.4E-01	2.9E-01	5.0E-01	3.8E-01	3.9E-01	5.2E-01	4.3E-01	2.8E-01	3.3E-01	2.8E-01	4.1E-01										
Ethanolamine	1.2E-03	1.1E-03	1.2E-03	1.3E-03	2.5E-03	2.8E-03	2.8E-03	3.5E-03	1.4E-03	1.4E-03	1.3E-03	1.4E-03	1.2E-03										
Gly	9.6E-02	9.3E-02	1.0E-01	1.1E-01	6.4E-02	7.1E-02	7.3E-02	7.9E-02	7.8E-02	8.7E-02	8.2E-02	8.0E-02	9.3E-02										
Trimethylamine N-oxide	5.2E-04	4.9E-04	5.9E-04	4.4E-04	2.8E-04	2.5E-04	3.5E-04	4.2E-04	6.9E-04	4.4E-04	6.1E-04	4.5E-04	9.4E-04										
Morpholine	2.3E-04	1.7E-04	2.7E-04	2.1E-04	1.4E-04	2.1E-04	1.5E-04	1.8E-04	1.9E-04	1.8E-04	1.6E-04	1.8E-04	2.1E-04										
Putrescine	1.5E-04	1.5E-04	1.9E-04	2.0E-04	4.1E-04	4.7E-04	3.7E-04	3.8E-04	3.2E-04	4.7E-04	4.4E-04	3.1E-04	6.6E-04										
Sarcosine	1.6E-03	1.7E-03	1.6E-03	1.8E-03	N.D.	N.D.	4.8E-04	3.9E-04	9.9E-04	8.4E-04	1.2E-03	1.2E-03	1.3E-03										
β-Ala	5.9E-03	5.8E-03	7.8E-03	7.7E-03	3.8E-03	5.0E-03	3.7E-03	4.2E-03	1.0E-02	1.1E-02	5.8E-03	6.9E-03	1.1E-02										
Ala	1.4E-01	1.5E-01	1.6E-01	1.5E-01	7.6E-02	1.1E-01	1.1E-01	1.3E-01	1.4E-01	1.4E-01	1.5E-01	1.3E-01	1.4E-01										
Glycerol	6.2E-02	5.7E-02	6.8E-02	5.7E-02	4.4E-02	3.1E-02	2.4E-02	5.4E-02	6.7E-02	5.4E-02	3.7E-02	4.5E-02	6.1E-02										
Cyclohexylamine	2.4E-05	N.D.	1.6E-05	N.D.	N.D.	3.7E-05	N.D.	N.D.	N.D.	N.D.	2.9E-05	N.D.	1.9E-05										
Homoserinelactone-1	N.D.	N.D.	N.D.	N.D.	5.9E-05	3.6E-05	4.5E-05	5.0E-05	N.D.	N.D.	N.D.	2.9E-05	N.D.										
Homoserinelactone-2	N.D.	N.D.	N.D.	2.9E-05	4.4E-05	9.4E-05	8.6E-05	6.8E-05	4.1E-05	N.D.	4.0E-05	4.0E-05	N.D.										
3-Aminobutyric acid	N.D.	N.D.	N.D.	N.D.	1.3E-04	1.6E-04	1.6E-04	1.2E-04	N.D.	N.D.	N.D.	N.D.	N.D.										
GABA	2.2E-04	2.4E-04	2.2E-04	2.9E-04	1.1E-04	2.1E-04	3.5E-04	1.5E-04	2.2E-04	3.5E-04	4.0E-04	2.2E-04	2.7E-04										
2-Aminobutyric acid"	1.0E-03	9.0E-04	1.2E-03	1.2E-03	2.2E-02	9.7E-03	5.4E-03	2.6E-02	1.5E-03	1.3E-03	1.7E-03	1.7E-03	1.8E-03										
"N,N-Dimethylglycine"	5.6E-04	6.1E-04	7.1E-04	6.9E-04	5.0E-04	5.8E-04	5.8E-04	7.1E-04	6.4E-04	6.4E-04	7.6E-04	5.5E-04	7.7E-04										
Choline	5.2E-03	6.2E-03	5.8E-03	8.1E-03	2.0E-02	1.6E-02	2.0E-02	3.4E-02	2.3E-02	2.4E-02	2.8E-02	2.3E-02	2.1E-02										
Ser	1.6E-02	1.4E-02	1.8E-02	1.8E-02	1.5E-02	2.4E-02	2.4E-02	2.3E-02	1.9E-02	2.1E-02	2.3E-02	2.2E-02	2.4E-02										
Diethanolamine	6.8E-04	5.6E-04	6.1E-04	6.9E-04	5.4E-04	5.1E-04	5.9E-04	9.5E-04	8.9E-04	1.0E-03	6.2E-04	7.1E-04	6.3E-04										
Hypotaurine	4.7E-03	4.1E-03	4.2E-03	4.5E-03	2.6E-03	2.4E-03	2.8E-03	2.6E-03	2.2E-03	3.0E-03	5.2E-03	4.4E-03	3.4E-03										
Cytosine	N.D.	3.1E-05	2.2E-05	4.0E-05	N.D.	N.D.	N.D.	N.D.	2.8E-05	N.D.	4.6E-05	3.2E-05	N.D.										
Histamine	1.0E-03	1.1E-03	1.6E-03	1.1E-03	2.5E-03	1.9E-03	1.2E-03	1.6E-03	1.8E-03	1.4E-03	1.6E-03	1.5E-03	2.2E-03										
Uracil	5.0E-05	4.1E-05	4.0E-05	N.D.	N.D.	N.D.	N.D.	N.D.	9.2E-05	N.D.	8.1E-05	7.1E-05	8.2E-05										
Creatinine	4.6E-03	4.5E-03	4.2E-03	5.4E-03	4.7E-03	4.2E-03	4.3E-03	6.5E-03	5.4E-03	3.7E-03	4.4E-03	4.2E-03	6.2E-03										
3-Amino-2-piperidone	6.6E-05	N.D.	1.0E-04	9.2E-05	1.1E-04	8.4E-05	8.1E-05	1.3E-04	8.4E-05	N.D.	N.D.	9.0E-05	1.9E-04										
Pro	2.6E-02	2.3E-02	2.6E-02	2.9E-02	4.3E-02	4.8E-02	4.4E-02	5.4E-02	3.7E-02	3.5E-02	4.2E-02	3.4E-02	4.4E-02										
Guanidoacetic acid	2.7E-04	3.1E-04	3.6E-04	2.8E-04	3.3E-04	1.5E-04	2.2E-04	1.9E-04	3.0E-04	2.1E-04	2.0E-04	3.3E-04	3.5E-04										
Betaine	9.5E-03	8.7E-03	1.0E-02	1.0E-02	4.6E-03	4.3E-03	4.0E-03	5.2E-03	9.4E-03	9.4E-03	1.1E-02	1.1E-02	1.3E-02										
Val	4.2E-02	4.2E-02	5.1E-02	3.9E-02	8.0E-02	7.5E-02	4.7E-02	9.5E-02	3.6E-02	4.0E-02	3.9E-02	3.8E-02	3.8E-02										
Homoserine	1.7E-04	1.3E-04	1.8E-04	1.8E-04	6.3E-05	1.0E-04	8.8E-05	1.2E-04	1.2E-04	N.D.	1.5E-04	1.6E-04	1.8E-04										
Thr	2.2E-02	2.1E-02	2.7E-02	2.4E-02	3.4E-02	3.8E-02	3.5E-02	4.7E-02	2.5E-02	2.9E-02	3.1E-02	3.1E-02	2.8E-02										
Anserine_divalent	3.9E-01	4.0E-01	4.2E-01	4.4E-01	4.7E-01	5.0E-01	4.7E-01	5.4E-01	5.2E-01	4.7E-01	4.8E-01	4.4E-01	5.4E-01										
Cys	N.D.	N.D.	N.D.	N.D.	N.D.	4.1E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
"2-Amino-2-(hydroxymethyl)-1,3-propanediol"	N.D.	N.D.	N.D.	N.D.	N.D.	4.6E-05	N.D.	N.D.	4.2E-05	N.D.	N.D.	N.D.	N.D.										
Nicotinamide"	9.0E-03	1.0E-02	1.2E-02	1.1E-02	1.0E-02	2.2E-02	1.0E-02	7.6E-03	9.0E-03	1.4E-02	1.0E-02	1.1E-02	8.7E-03										
Taurine	1.9E-01	1.9E-01	1.9E-01	1.9E-01	1.6E-01	1.8E-01	1.9E-01	2.2E-01	1.9E-01	1.9E-01	2.0E-01	1.7E-01	1.9E-01										
1-Methylhistamine	4.3E-05	4.5E-05	5.4E-05	5.4E-05	8.1E-05	8.0E-05	7.0E-05	7.3E-05	6.6E-05	7.4E-05	4.3E-05	5.9E-05	6.7E-05										
Imidazole-4-acetic acid	N.D.	1.1E-05	N.D.	N.D.	3.3E-05	N.D.	2.3E-05	3.3E-05	3.1E-05	N.D.	N.D.	2.0E-05	N.D.										
Melamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.8E-04	N.D.	N.D.	9.0E-05	1.7E-04										
"5-Amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid"	2.2E-04	2.1E-04	2.0E-04	2.3E-04	1.6E-04	1.9E-04	1.6E-04	2.5E-04	1.3E-04	1.1E-04	1.5E-04	1.4E-04	1.6E-04										
4-Oxopyrrolidine-2-carboxylic acid	5.9E-04	5.2E-04	5.2E-04	3.8E-04	3.1E-04	2.5E-04	5.0E-04	2.3E-04	2.0E-04	3.0E-04	2.2E-04	3.4E-04	2.9E-04										
Pipecolic acid	1.0E-03	9.3E-04	8.8E-04	1.2E-03	5.6E-04	7.6E-04	7.2E-04	8.0E-04	8.6E-04	6.5E-04	6.5E-04	5.8E-04	8.6E-04										
trans-Glutaconic acid	4.2E-04	4.1E-04	3.0E-04	2.5E-04	4.3E-04	4.4E-04	5.4E-04	4.2E-04	4.2E-04	4.2E-04	5.6E-04	4.7E-04	3.7E-04										
Hydroxyproline	2.2E-02	2.0E-02	2.2E-02	2.5E-02	1.1E-02	1.2E-02	8.5E-03	1.9E-02	1.1E-02	1.0E-02	1.2E-02	1.2E-02	1.5E-02										
Creatine	1.2E+00	1.2E+00	1.2E+00	1.2E+00	1.2E+00	1.3E+00	1.3E+00	1.4E+00	1.3E+00	1.3E+00	1.3E+00	1.2E+00	1.1E+00										
Leu	2.9E-02	2.8E-02	4.2E-02	2.7E-02	1.0E-01	9.9E-02	4.9E-02	1.3E-01	3.2E-02	3.7E-02	3.5E-02	3.7E-02	3.1E-02										
Ile	1.9E-02	1.7E-02	1.5E-02	1.8E-02	5.1E-02	3.6E-02	2.8E-02	5.5E-02	1.8E-02	2.1E-02	2.1E-02	2.2E-02	1.8E-02										
6-Aminohexanoic acid	7.9E-04	6.7E-04	1.0E-03	1.1E-03	5.5E-04	3.3E-04	3.3E-04	9.8E-04	3.2E-04	2.1E-04	3.8E-04	3.1E-04	1.1E-04										
Gly-Gly	1.1E-04	9.8E-05	9.8E-05	1.3E-04	1.8E-04	3.3E-04	2.6E-04	2.5E-04	2.2E-04	1.8E-04	2.4E-04	2.2E-04	1.8E-04										
Asn	3.1E-03	3.2E-03	4.0E-03	3.4E-03	5.1E-03	9.6E-03	9.1E-03	8.1E-03	5.8E-03	6.1E-03	6.8E-03	6.2E-03	6.3E-03										
Ornithine	1.7E-03	1.5E-03	1.6E-03	1.6E-03	8.6E-04	7.7E-04	8.8E-04	9.0E-04	3.2E-03	2.5E-03	3.9E-03	2.8E-03	3.3E-03										
Thiaproline	8.2E-05	6.1E-05	1.0E-04	9.2E-05	8.0E-05	1.3E-04	8.4E-04	1.3E-04	8.8E-05	1.3E-04	1.1E-04	1.1E-03	2.0E-03										
Asp	7.6E-03	1.0E-02	9.9E-03	5.2E-03	1.1E-02	6.7E-03	8.8E-03	2.1E-02	5.3E-03	7.1E-03	5.5E-03	9.1E-03	8.4E-03										
S-Methylcysteine	1.0E-04	1.3E-04	1.4E-04	1.1E-04	2.2E-04	1.8E-04	1.5E-04	2.5E-04	9.5E-05	1.3E-04	9.8E-05	1.2E-04	1.2E-04										
Adenine	1.7E-04	1.4E-04	1.9E-04	1.5E-04	2.0E-04	5.8E-05	1.8E-04	2.5E-04	2.6E-04	1.8E-04	1.8E-04	2.3E-04	2.8E-04										
Hypoxanthine	5.4E-04	5.4E-04	3.8E-04	6.5E-04	1.0E-03	1.4E-03	6.0E-04	4.8E-04	4.5E-04	4.4E-04	2.2E-04	5.7E-04	4.7E-04										
1-Methylnicotinamide	6.9E-05	7.3E-05	7.7E-05	9.6E-05	1.8E-04	1.0E-04	1.1E-04	2.4E-04	2.0E-04	8.3E-05	1.2E-04	1.2E-04	2.5E-04										
Anthranilic acid	2.2E-05	3.7E-05	N.D.	3.7E-05	5.2E-05	4.1E-05	7.0E-05	8.2E-05	6.1E-05	3.9E-05	6.4E-05	3.3E-05	4.2E-05										
Trigonelline	4.7E-04	4.6E-04	4.8E-04	4.0E-04	1.1E-04	6.2E-05	6.6E-05	1.8E-04	5.3E-04	3.6E-04	3.9E-04	4.1E-04	7.2E-04										
Tyramine	N.D.	N.D.	2.9E-05	N.D.	N.D.	3.7E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
γ-Glu-Lys_divalent	3.1E-05	3.3E-05	3.4E-05	N.D.	N.D.	N.D.	1.3E-05	N.D.	3.3E-05	5.1E-05	6.2E-05	2.0E-05	4.1E-05										
Nicotinamide N-oxide	6.6E-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.										
Urocanic acid	4.4E-04	7.1E-04	6.2E-04	8.1E-04	1.0E-03	5.9E-04	6.0E-04	1.0E-03	9.0E-04	4.4E-04	2.2E-04	6.0E-04	2.1E-03										
1-Methyl-4-imidazoleacetic acid-2	6.9E-05	1.0E-04	9.9E-05	1.0E-04	1.7E-04	7.4E-05	1.0E-04	1.4E-04	1.7E-04	8.5E-05	7.7E-05	1.1E-04	3.0E-04										
1-Methyl-4-imidazoleacetic acid-1	N.D.	N.D.	2.5E-05	N.D.	1.7E-04	6.8E-05	8.7E-05	1.7E-04	N.D.	4.0E-05	N.D.	N.D.	7.7E-05										
Hexamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.7E-04										
Ectoine	1.1E-04	1.2E-04	1.1E-04	1.2E-04	4.8E-05	N.D.	5.8E-05	N.D.	1.3E-04	N.D.	6.5E-05	N.D.	1.8E-04										
Stachydrine	2.6E-03	2.5E-03	2.8E-03	2.6E-03	6.7E-04	3.9E-04	5.5E-04	1.1E-03	3.1E-03	2.2E-03	2.3E-03	2.3E-03	3.5E-03										
Crotonic acid betaine	N.D.	N.D.	N.D.	N.D.	4.2E-05	N.D.	N.D.	3.5E-05	N.D.	N.D.	N.D.	N.D.	N.D.										
4-Guanidinobutyric acid	1.4E-04	1.2E-04	1.4E-04	1.4E-04	1.3E-04	5.9E-05	5.8E-05	1.3E-04	2.3E-04	1.1E-04	7.2E-05	1.6E-04	2.5E-04										
γ-Butyrobetaine	2.2E-03	2.5E-03	2.3E-03	2.0E-03	1.4E-03	1.7E-03	2.0E-03	1.9E-03	3.3E-03	3.2E-03	3.2E-03	3.4E-03	3.2E-03										
Acetylcholine	7.3E-05	7.1E-05	N.D.	N.D.	N.D.	N.D.	9.7E-05	1.0E-04	9.6E-05	N.D.	N.D.	9.4E-05	8.0E-05										
Spermidine	1.5E-03	1.5E-03	1.8E-03	1.5E-03	2.6E-03	4.4E-03	3.7E-03	2.9E-03	1.6E-03	1.9E-03	1.7E-03	2.0E-03	2.5E-03										
Gln	9.8E-02	7.9E-02	8.2E-02	9.4E-02	1.2E-01	1.2E-01	1.4E-01	1.5E-01	8.9E-02	1.1E-01	1.0E-01	1.0E-01	8.7E-02										
Lys	3.9E-02	3.4E-02	3.5E-02	2.6E-02	3.3E-02	4.2E-02	4.9E-02	4.9E-02	6.1E-02	6.5E-02	1.0E-01	6.7E-02	5.4E-02										
2-Methylthiazolidine-4-carboxylic acid	N.D.	N.D.	N.D.	N.D.	1.5E-04	3.9E-05	1.4E-04	N.D.	N.D.	5.8E-05	2.9E-04	1.9E-04	N.D.										
Glu	5.7E-02	5.6E-02	4.8E-02	3.2E-02	2.7E-02	2.1E-02	4.4E-02	1.9E-02	1.7E-02	2.0E-02	1.9E-02	3.4E-02	2.5E-02										
N-Acetylserine	N.D.	2.4E-04	2.6E-04	2.5E-04	4.5E-04	4.3E-04	4.2E-04	5.3E-04	3.8E-04	2.9E-04	3.2E-04	2.3E-04	3.2E-04										
threo-β-Methylaspartic acid	N.D.	9.6E-05	N.D.	7.1E-05	9.5E-05	6.7E-05	7.5E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Met	8.2E-03	8.5E-03	8.2E-03	8.2E-03	1.1E-02	1.3E-02	1.0E-02	1.4E-02	7.9E-03	8.3E-03	9.8E-03	8.2E-03	8.3E-03										
Triethanolamine	4.9E-05	N.D.	4.1E-05	1.5E-04	4.0E-05	4.4E-05	3.6E-05	5.6E-05	3.7E-05	4.2E-05	N.D.	5.4E-05	1.2E-04										
γ-Glu-Arg_divalent	1.7E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.2E-05	1.9E-05	2.1E-05	1.7E-05										
Xanthine	2.5E-04	3.1E-04	2.4E-04	3.2E-04	4.3E-04	5.0E-04	3.8E-04	3.6E-04	3.2E-04	2.9E-04	N.D.	3.4E-04	3.1E-04										
N1-Methyl-4-pyridone-5-carboxamide	1.1E-04	1.3E-04	1.2E-04	1.4E-04	7.0E-04	2.4E-04	1.6E-04	5.3E-04	1.7E-04	1.0E-04	6.8E-05	1.5E-04	1.3E-04										
His	1.1E-02	9.4E-03	1.1E-02	1.1E-02	1.3E-02	1.8E-02	1.7E-02	2.1E-02	1.2E-02	1.1E-02	1.3E-02	1.3E-02	1.1E-02										
Imidazolelactic acid	3.3E-05	1.9E-05	3.2E-05	N.D.	N.D.	N.D.	1.9E-05	N.D.	2.7E-05	N.D.	N.D.	N.D.	2.2E-05										
Tranexamic acid	4.1E-05	N.D.	N.D.	3.3E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.0E-05	N.D.										
2-Aminooctanoic acid	N.D.	N.D.	N.D.	N.D.	7.5E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.0E-05	N.D.										
4-Acetamido-2-aminobutyric acid	N.D.	N.D.	1.1E-04	N.D.	N.D.	N.D.	1.6E-04	N.D.	N.D.	N.D.	9.5E-05	7.2E-05	N.D.										
N6-Methyllysine	1.1E-03	1.0E-03	9.2E-04	7.9E-04	4.6E-04	3.5E-04	4.8E-04	6.6E-04	2.0E-03	1.7E-03	3.9E-03	2.3E-03	1.9E-03										
2-Aminoadipic acid"	3.2E-04	2.9E-04	3.1E-04	3.0E-04	8.5E-04	2.9E-04	1.5E-04	6.6E-04	3.2E-04	2.9E-04	3.4E-04	3.7E-04	4.3E-04										
Carnitine	2.9E-02	3.2E-02	2.9E-02	2.5E-02	2.7E-02	2.5E-02	2.9E-02	3.3E-02	2.4E-02	2.1E-02	2.0E-02	2.6E-02	2.8E-02										
5-Hydroxylysine	1.7E-04	1.5E-04	1.2E-04	1.1E-04	N.D.	N.D.	N.D.	N.D.	1.7E-04	2.0E-04	1.8E-04	1.8E-04	1.8E-04										
S-Methylmethionine	2.0E-05	1.7E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.6E-05	N.D.	1.1E-04	4.6E-05	3.5E-05										
Methionine sulfoxide	4.2E-04	4.9E-04	4.7E-04	3.9E-04	1.4E-04	1.5E-04	2.5E-04	2.5E-04	5.2E-04	4.3E-04	4.8E-04	4.8E-04	9.4E-04										
7-Methylguanine	N.D.	N.D.	N.D.	N.D.	3.4E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.9E-05										
Phe	1.4E-02	1.4E-02	1.6E-02	1.3E-02	2.7E-02	3.0E-02	2.2E-02	3.5E-02	1.7E-02	1.7E-02	2.2E-02	1.6E-02	2.1E-02										
Taurocyamine	1.7E-04	1.4E-04	1.6E-04	1.0E-04	1.2E-04	1.4E-04	1.7E-04	2.0E-04	1.5E-04	1.7E-04	9.8E-05	9.9E-05	1.1E-04										
3-Methylhistidine"	1.4E-03	1.3E-03	1.3E-03	1.3E-03	1.5E-03	2.2E-03	2.4E-03	2.1E-03	1.9E-03	1.2E-03	1.9E-03	1.5E-03	1.9E-03										
N5-Ethylglutamine	5.5E-04	5.3E-04	6.1E-04	6.6E-04	2.9E-04	2.6E-04	3.1E-04	3.1E-04	4.7E-04	3.9E-04	4.5E-04	5.0E-04	6.1E-04										
N6-Formyllysine	1.7E-04	1.5E-04	1.6E-04	1.5E-04	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	9.9E-05	9.9E-05	1.5E-04										
Arg	2.6E-02	2.2E-02	1.6E-02	1.5E-02	1.5E-02	2.1E-02	2.5E-02	2.3E-02	2.5E-02	2.9E-02	3.9E-02	2.6E-02	2.2E-02										
Citrulline	9.7E-03	9.9E-03	1.0E-02	1.1E-02	7.5E-03	5.4E-03	8.4E-03	8.8E-03	5.9E-03	6.8E-03	6.7E-03	6.2E-03	6.3E-03										
Serotonin	2.8E-05	2.6E-05	2.6E-05	3.1E-05	2.9E-05	N.D.	2.7E-05	N.D.	4.0E-05	N.D.	2.2E-05	1.7E-05	2.4E-05										
Gulonolactone	6.3E-05	N.D.	9.2E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.										
Gluconolactone	2.3E-04	1.9E-04	2.6E-04	2.5E-04	3.2E-04	2.6E-04	2.2E-04	2.7E-04	2.9E-04	2.3E-04	1.5E-04	2.3E-04	2.4E-04										
Glucosamine"	N.D.	N.D.	N.D.	N.D.	N.D.	2.3E-04	N.D.	N.D.	N.D.	4.5E-05	N.D.	N.D.	3.9E-05										
Tyr	1.1E-02	1.3E-02	1.6E-02	1.0E-02	7.4E-03	1.4E-02	1.0E-02	1.1E-02	1.5E-02	1.2E-02	1.9E-02	1.3E-02	1.9E-02										
Phosphorylcholine	2.8E-03	2.3E-03	2.9E-03	2.2E-03	1.0E-03	2.0E-03	2.3E-03	9.6E-04	2.7E-03	2.8E-03	2.1E-03	2.1E-03	3.7E-03										
N1-Acetylspermidine	1.9E-05	2.1E-05	N.D.	N.D.	1.0E-04	5.1E-05	4.9E-05	6.2E-05	5.8E-05	3.7E-05	4.5E-05	3.3E-05	7.0E-05										
N-Acetyllysine	1.7E-04	1.3E-04	1.2E-04	1.3E-04	1.0E-04	N.D.	1.5E-04	1.8E-04	1.8E-04	1.5E-04	1.7E-04	2.2E-04	2.1E-04										
N6-Acetyllysine	8.9E-05	9.0E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.5E-04	1.3E-04	1.6E-04	1.2E-04	1.3E-04										
Nω-Methylarginine	6.8E-05	5.8E-05	3.7E-05	N.D.	N.D.	N.D.	N.D.	N.D.	7.4E-05	8.0E-05	1.4E-04	1.1E-04	8.0E-05										
"N6,N6,N6-Trimethyllysine"	1.5E-03	1.3E-03	1.5E-03	1.5E-03	5.5E-03	5.9E-03	5.9E-03	6.6E-03	1.8E-03	1.8E-03	3.7E-03	1.8E-03	1.5E-03										
Gly-Gly-Gly	N.D.	N.D.	N.D.	N.D.	N.D.	3.3E-05	N.D.	N.D.	3.1E-05	N.D.	2.7E-05	2.2E-05	N.D.										
Homocitrulline	1.4E-04	1.5E-04	1.8E-04	1.7E-04	1.5E-04	2.2E-04	1.7E-04	2.1E-04	1.7E-04	1.4E-04	1.6E-04	1.4E-04	1.9E-04										
H-Asp(Gly-OH)-OH	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.7E-05	4.7E-05	6.7E-05	N.D.	N.D.	N.D.	6.0E-05										
Gly-Asp	2.5E-04	2.0E-04	2.6E-04	2.5E-04	4.5E-04	6.8E-04	7.6E-04	5.2E-04	3.6E-04	3.3E-04	4.4E-04	3.7E-04	4.0E-04										
S-(2-Carboxyethyl)cysteine	6.4E-05	6.1E-05	8.0E-05	7.2E-05	5.7E-05	6.2E-05	7.1E-05	9.0E-05	2.1E-05	N.D.	N.D.	N.D.	N.D.										
N-Acetylhistidine	N.D.	N.D.	2.1E-05	N.D.	3.9E-05	N.D.	3.1E-05	N.D.	4.1E-05	N.D.	N.D.	N.D.	2.8E-05										
11-Aminoundecanoic acid	1.4E-04	9.6E-05	1.8E-04	6.9E-05	1.2E-04	1.3E-04	N.D.	1.0E-04	1.2E-04	1.1E-04	1.1E-04	7.5E-05	1.1E-04										
ADMA	1.4E-04	1.6E-04	1.2E-04	1.5E-04	9.1E-05	8.5E-05	9.5E-05	1.2E-04	2.1E-04	2.0E-04	4.0E-04	2.8E-04	3.2E-04										
SDMA	6.0E-05	5.1E-05	4.7E-05	3.5E-05	4.4E-05	4.8E-05	5.8E-05	6.2E-05	8.1E-05	7.2E-05	1.4E-04	6.8E-05	8.2E-05										
Spermine	6.0E-04	5.9E-04	6.6E-04	5.3E-04	1.3E-04	1.7E-04	3.1E-04	N.D.	4.8E-04	5.1E-04	3.6E-04	5.7E-04	4.9E-04										
O-Acetylcarnitine	2.8E-02	2.4E-02	2.6E-02	2.7E-02	1.6E-02	3.4E-02	2.9E-02	2.1E-02	2.3E-02	2.1E-02	2.1E-02	2.2E-02	2.1E-02										
γ-Glu-Gly	6.0E-05	5.3E-05	4.4E-05	5.0E-05	N.D.	N.D.	4.6E-05	N.D.	5.1E-05	6.5E-05	5.8E-05	3.9E-05	5.2E-05										
Trp	3.0E-03	2.6E-03	3.0E-03	2.3E-03	2.0E-03	4.8E-03	2.6E-03	3.4E-03	3.5E-03	3.7E-03	3.9E-03	3.1E-03	3.2E-03										
Carboxymethyllysine	5.7E-04	5.6E-04	4.5E-04	2.6E-04	3.6E-04	4.0E-04	4.1E-04	4.1E-04	5.4E-04	4.6E-04	4.8E-04	6.3E-04	6.2E-04										
Kynurenine	4.2E-05	3.3E-05	3.3E-05	N.D.	5.4E-05	5.0E-05	4.0E-05	8.4E-05	5.9E-05	4.9E-05	7.8E-05	5.0E-05	8.4E-05										
Glycerophosphorylethanolamine	4.2E-04	4.4E-04	3.9E-04	3.4E-04	5.6E-04	6.0E-04	5.9E-04	5.0E-04	6.2E-04	4.4E-04	5.4E-04	6.1E-04	6.7E-04										
N-α-Acetylarginine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.6E-05	4.7E-05										
Propionylcarnitine	5.3E-04	5.1E-04	3.7E-04	3.4E-04	5.7E-04	6.5E-04	5.8E-04	5.4E-04	4.6E-04	3.1E-04	3.3E-04	4.0E-04	3.4E-04										
β-Ala-Lys-1	1.2E-04	1.2E-04	1.2E-04	1.2E-04	1.4E-04	1.3E-04	1.0E-04	1.3E-04	1.3E-04	8.2E-05	2.1E-04	1.3E-04	7.1E-05										
β-Ala-Lys-2	N.D.	N.D.	N.D.	N.D.	2.7E-05	2.1E-05	5.2E-05	N.D.	N.D.	N.D.	4.2E-05	N.D.	2.2E-05										
γ-Glu-Ala	2.3E-05	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.4E-05	N.D.	3.2E-05										
N-Acetylgalactosamine	N.D.	N.D.	N.D.	N.D.	6.6E-05	N.D.	N.D.	N.D.	5.6E-05	N.D.	N.D.	N.D.	7.4E-05										
Cystathionine	9.3E-05	7.4E-05	6.3E-05	7.8E-05	1.2E-04	1.1E-04	1.1E-04	1.2E-04	8.4E-05	1.1E-04	8.8E-05	1.2E-04	1.0E-04										
3-Hydroxykynurenine	N.D.	3.8E-05	2.6E-05	2.2E-05	3.5E-05	3.0E-05	N.D.	3.7E-05	N.D.	N.D.	N.D.	N.D.	N.D.										
Carnosine	1.7E-01	1.8E-01	2.1E-01	1.9E-01	2.2E-01	2.3E-01	2.1E-01	2.5E-01	2.0E-01	1.8E-01	1.6E-01	1.7E-01	1.4E-01										
2'-Deoxycytidine	6.7E-05	9.2E-05	9.2E-05	9.1E-05	2.7E-04	2.2E-04	1.5E-04	2.5E-04	1.5E-04	1.7E-04	1.4E-04	1.6E-04	2.2E-04										
2'-Deoxyuridine	N.D.	6.1E-05	5.3E-05	N.D.	1.0E-04	9.4E-05	7.3E-05	9.3E-05	1.3E-04	1.2E-04	9.4E-05	8.0E-05	1.0E-04										
Butyrylcarnitine-1"	1.8E-04	3.3E-04	5.9E-04	1.4E-04	5.1E-04	5.1E-04	N.D.	8.2E-04	4.7E-04	4.4E-04	5.6E-04	2.7E-04	5.2E-04										
Butyrylcarnitine-2"	5.2E-04	6.0E-04	7.1E-04	6.9E-04	5.1E-04	1.8E-03	1.2E-03	1.2E-03	6.6E-04	6.7E-04	8.1E-04	4.8E-04	4.4E-04										
N2-Succinylornithine	N.D.	N.D.	2.1E-05	N.D.	2.7E-05	N.D.	3.4E-05	N.D.	3.7E-05	4.0E-05	N.D.	N.D.	2.8E-05										
Ser-Glu	1.2E-04	1.4E-04	9.4E-05	1.1E-04	7.9E-05	5.7E-05	1.2E-04	1.2E-04	1.3E-04	1.1E-04	1.1E-04	1.5E-04	2.1E-04										
Thymidine	7.7E-05	8.8E-05	8.6E-05	9.2E-05	1.6E-04	1.7E-04	9.4E-05	1.6E-04	2.6E-04	3.0E-04	1.9E-04	1.5E-04	1.9E-04										
Cytidine	1.2E-04	1.3E-04	8.0E-05	1.5E-04	3.9E-04	4.2E-04	2.6E-04	3.8E-04	2.2E-04	2.3E-04	1.9E-04	2.4E-04	1.9E-04										
Tiglylcarnitine	N.D.	1.1E-04	1.0E-04	N.D.	N.D.	9.1E-05	N.D.	6.3E-05	8.4E-05	1.1E-04	1.1E-04	1.1E-04	1.2E-04										
Uridine	1.8E-04	1.4E-04	8.9E-05	1.2E-04	2.7E-04	2.8E-04	2.2E-04	3.3E-04	2.3E-04	1.8E-04	1.6E-04	1.7E-04	2.0E-04										
Isovalerylcarnitine	1.6E-04	2.5E-04	3.1E-04	1.8E-04	3.1E-04	4.0E-04	1.8E-04	4.0E-04	2.8E-04	2.5E-04	3.8E-04	2.0E-04	3.7E-04										
γ-Glu-Val	N.D.	N.D.	5.1E-05	N.D.	N.D.	N.D.	N.D.	N.D.	4.0E-05	N.D.	N.D.	N.D.	2.9E-05										
Malonylcarnitine	5.8E-05	6.8E-05	6.3E-05	6.6E-05	4.4E-05	7.1E-05	6.7E-05	4.3E-05	5.2E-05	4.7E-05	6.8E-05	5.6E-05	5.3E-05										
Pyridoxamine 5'-phosphate	1.5E-04	2.2E-04	1.2E-04	1.3E-04	8.0E-05	6.6E-05	2.2E-04	1.4E-04	1.0E-04	1.5E-04	8.8E-05	1.7E-04	1.1E-04										
γ-Glu-Cys	7.7E-05	4.5E-05	4.9E-05	6.7E-05	7.3E-05	4.5E-05	7.7E-05	N.D.	3.4E-05	4.8E-05	5.5E-05	6.2E-05	4.0E-05										
2'-O-Methylcytidine	N.D.	N.D.	N.D.	N.D.	2.1E-05	N.D.	N.D.	N.D.	2.5E-05	N.D.	N.D.	1.4E-05	2.5E-05										
Glycerophosphocholine	3.2E-03	3.8E-03	3.8E-03	3.0E-03	7.1E-03	7.3E-03	7.1E-03	4.5E-03	5.9E-03	5.2E-03	5.2E-03	6.0E-03	7.0E-03										
γ-Glu-Leu"	4.5E-05	6.4E-05	5.7E-05	5.8E-05	N.D.	8.4E-05	N.D.	5.4E-05	4.4E-05	6.2E-05	N.D.	N.D.	5.5E-05										
Succinylcarnitine	2.2E-04	3.1E-04	1.8E-04	1.3E-04	1.0E-04	1.6E-04	2.0E-04	1.5E-04	1.2E-04	1.9E-04	2.2E-04	3.0E-04	1.5E-04										
γ-Glu-Ornitine	1.3E-04	1.1E-04	1.1E-04	9.2E-05	9.4E-05	1.3E-04	1.5E-04	1.0E-04	1.2E-04	1.4E-04	1.1E-04	9.0E-05	1.1E-04										
3-Hydroxyisovalerylcarnitine	7.3E-04	7.8E-04	8.5E-04	7.9E-04	7.4E-04	8.4E-04	7.4E-04	9.1E-04	9.7E-04	1.0E-03	1.0E-03	1.0E-03	1.2E-03										
Thiamine	2.1E-05	3.1E-05	3.1E-05	3.2E-05	2.5E-05	2.8E-05	2.9E-05	N.D.	3.1E-05	N.D.	1.7E-05	1.6E-05	3.2E-05										
2'-Deoxyguanosine	N.D.	2.1E-05	N.D.	3.6E-05	5.6E-05	5.3E-05	N.D.	N.D.	N.D.	N.D.	N.D.	3.6E-05	4.8E-05										
Adenosine	1.6E-03	9.1E-04	5.4E-04	1.3E-03	1.7E-03	1.7E-03	1.6E-03	9.4E-04	1.6E-03	1.1E-03	4.5E-04	2.0E-03	1.5E-03										
Inosine	1.6E-03	1.3E-03	1.0E-03	1.7E-03	3.7E-03	5.1E-03	1.9E-03	1.6E-03	1.5E-03	1.3E-03	6.0E-04	1.8E-03	1.1E-03										
N-Acetylcarnosine	7.8E-05	8.0E-05	1.1E-04	8.2E-05	1.1E-04	1.2E-04	7.8E-05	1.4E-04	6.7E-05	7.0E-05	5.0E-05	6.3E-05	5.2E-05										
γ-Glu-Gln	1.0E-04	8.3E-05	7.7E-05	8.5E-05	4.9E-05	N.D.	7.8E-05	N.D.	5.9E-05	1.0E-04	9.1E-05	5.5E-05	5.7E-05										
Glu-Glu	4.2E-05	4.2E-05	3.1E-05	3.6E-05	6.8E-05	5.5E-05	6.2E-05	6.5E-05	3.7E-05	5.0E-05	4.2E-05	3.6E-05	5.5E-05										
1-Methyladenosine	2.4E-05	N.D.	2.5E-05	N.D.	9.0E-05	5.2E-05	6.4E-05	7.7E-05	7.1E-05	4.9E-05	5.7E-05	6.6E-05	4.7E-05										
Guanosine	4.4E-05	7.0E-05	N.D.	5.0E-05	1.4E-04	1.1E-04	6.5E-05	9.5E-05	7.8E-05	6.0E-05	4.6E-05	7.5E-05	7.7E-05										
Octanoylcarnitine	N.D.	8.8E-05	7.0E-05	N.D.	1.4E-04	N.D.	7.2E-05	9.4E-05	4.5E-05	7.4E-05	1.4E-04	7.2E-05	7.2E-05										
Ophthalmic acid	4.7E-05	4.7E-05	3.6E-05	5.5E-05	2.9E-04	2.4E-04	1.9E-04	3.1E-04	7.0E-05	6.2E-05	7.2E-05	7.3E-05	6.8E-05										
Argininosuccinic acid	2.1E-04	2.0E-04	1.0E-04	9.4E-05	7.5E-05	1.7E-04	2.2E-04	1.7E-04	1.6E-04	2.5E-04	2.4E-04	1.9E-04	1.6E-04										
5'-Deoxy-5'-methylthioadenosine	6.3E-05	5.6E-05	4.5E-05	4.7E-05	7.0E-05	5.7E-05	1.2E-04	8.1E-05	5.3E-05	3.4E-05	7.6E-05	7.0E-05	1.1E-04										
Glutathione (GSSG)_divalent	2.1E-02	2.5E-02	2.1E-02	1.4E-02	1.2E-02	6.6E-03	1.2E-02	1.6E-02	8.7E-03	8.8E-03	8.0E-03	9.5E-03	1.7E-02										
Glutathione (GSH)	4.3E-02	3.2E-02	3.5E-02	6.0E-02	4.5E-02	6.1E-02	5.2E-02	3.1E-02	2.7E-02	3.3E-02	2.8E-02	3.6E-02	2.0E-02										
Tyr-Glu	N.D.	N.D.	N.D.	N.D.	1.9E-05	N.D.	N.D.	N.D.	1.9E-05	N.D.	2.0E-05	N.D.	1.5E-05										
NMN	4.8E-05	4.0E-05	4.3E-05	N.D.	N.D.	N.D.	8.2E-05	N.D.	3.4E-05	N.D.	4.0E-05	N.D.	N.D.										
Decarboxylated S-Adenosylmethionine	1.6E-04	1.1E-04	1.0E-04	1.5E-04	N.D.	N.D.	N.D.	N.D.	4.5E-05	N.D.	N.D.	4.1E-05	N.D.										
S-Lactoylglutathione	5.9E-04	4.5E-04	5.4E-04	8.5E-04	1.9E-04	N.D.	8.4E-04	3.7E-04	5.6E-04	1.1E-03	5.1E-04	7.3E-04	5.5E-04										
S-Adenosylhomocysteine	5.3E-05	8.2E-05	5.7E-05	7.1E-05	4.3E-05	9.4E-05	7.7E-05	8.9E-05	3.2E-05	3.9E-05	3.2E-05	3.4E-05	2.6E-05										
S-Adenosylmethionine	5.4E-04	6.7E-04	5.4E-04	5.5E-04	9.5E-04	1.5E-03	1.6E-03	1.6E-03	6.4E-04	5.9E-04	5.7E-04	6.1E-04	7.9E-04										
CDP-ethanolamine	1.2E-04	1.6E-04	1.2E-04	1.4E-04	2.2E-04	2.6E-04	2.4E-04	3.7E-04	1.3E-04	1.2E-04	1.0E-04	1.3E-04	9.0E-05										
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Trimethylamine
Urea
Ethanolamine
Gly
Trimethylamine N-oxide
Morpholine
Putrescine
Sarcosine
β-Ala
Ala
Glycerol
Cyclohexylamine
Homoserinelactone-1
Homoserinelactone-2
3-Aminobutyric acid
GABA
2-Aminobutyric acid"
"N,N-Dimethylglycine"
Choline
Ser
Diethanolamine
Hypotaurine
Cytosine
Histamine
Uracil
Creatinine
3-Amino-2-piperidone
Pro
Guanidoacetic acid
Betaine
Val
Homoserine
Thr
Anserine_divalent
Cys
"2-Amino-2-(hydroxymethyl)-1,3-propanediol"
Nicotinamide"
Taurine
1-Methylhistamine
Imidazole-4-acetic acid
Melamine
"5-Amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid"
4-Oxopyrrolidine-2-carboxylic acid
Pipecolic acid
trans-Glutaconic acid
Hydroxyproline
Creatine
Leu
Ile
6-Aminohexanoic acid
Gly-Gly
Asn
Ornithine
Thiaproline
Asp
S-Methylcysteine
Adenine
Hypoxanthine
1-Methylnicotinamide
Anthranilic acid
Trigonelline
Tyramine
γ-Glu-Lys_divalent
Nicotinamide N-oxide
Urocanic acid
1-Methyl-4-imidazoleacetic acid-2
1-Methyl-4-imidazoleacetic acid-1
Hexamine
Ectoine
Stachydrine
Crotonic acid betaine
4-Guanidinobutyric acid
γ-Butyrobetaine
Acetylcholine
Spermidine
Gln
Lys
2-Methylthiazolidine-4-carboxylic acid
Glu
N-Acetylserine
threo-β-Methylaspartic acid
Met
Triethanolamine
γ-Glu-Arg_divalent
Xanthine
N1-Methyl-4-pyridone-5-carboxamide
His
Imidazolelactic acid
Tranexamic acid
2-Aminooctanoic acid
4-Acetamido-2-aminobutyric acid
N6-Methyllysine
2-Aminoadipic acid"
Carnitine
5-Hydroxylysine
S-Methylmethionine
Methionine sulfoxide
7-Methylguanine
Phe
Taurocyamine
3-Methylhistidine"
N5-Ethylglutamine
N6-Formyllysine
Arg
Citrulline
Serotonin
Gulonolactone
Gluconolactone
Glucosamine"
Tyr
Phosphorylcholine
N1-Acetylspermidine
N-Acetyllysine
N6-Acetyllysine
Nω-Methylarginine
"N6,N6,N6-Trimethyllysine"
Gly-Gly-Gly
Homocitrulline
H-Asp(Gly-OH)-OH
Gly-Asp
S-(2-Carboxyethyl)cysteine
N-Acetylhistidine
11-Aminoundecanoic acid
ADMA
SDMA
Spermine
O-Acetylcarnitine
γ-Glu-Gly
Trp
Carboxymethyllysine
Kynurenine
Glycerophosphorylethanolamine
N-α-Acetylarginine
Propionylcarnitine
β-Ala-Lys-1
β-Ala-Lys-2
γ-Glu-Ala
N-Acetylgalactosamine
Cystathionine
3-Hydroxykynurenine
Carnosine
2'-Deoxycytidine
2'-Deoxyuridine
Butyrylcarnitine-1"
Butyrylcarnitine-2"
N2-Succinylornithine
Ser-Glu
Thymidine
Cytidine
Tiglylcarnitine
Uridine
Isovalerylcarnitine
γ-Glu-Val
Malonylcarnitine
Pyridoxamine 5'-phosphate
γ-Glu-Cys
2'-O-Methylcytidine
Glycerophosphocholine
γ-Glu-Leu"
Succinylcarnitine
γ-Glu-Ornitine
3-Hydroxyisovalerylcarnitine
Thiamine
2'-Deoxyguanosine
Adenosine
Inosine
N-Acetylcarnosine
γ-Glu-Gln
Glu-Glu
1-Methyladenosine
Guanosine
Octanoylcarnitine
Ophthalmic acid
Argininosuccinic acid
5'-Deoxy-5'-methylthioadenosine
Glutathione (GSSG)_divalent
Glutathione (GSH)
Tyr-Glu
NMN
Decarboxylated S-Adenosylmethionine
S-Lactoylglutathione
S-Adenosylhomocysteine
S-Adenosylmethionine
CDP-ethanolamine
METABOLITES_END
#END