#METABOLOMICS WORKBENCH nmatulionis_20210219_181006 DATATRACK_ID:2501 STUDY_ID:ST001709 ANALYSIS_ID:AN002783 PROJECT_ID:PR001094 VERSION 1 CREATED_ON February 23, 2021, 10:48 am #PROJECT PR:PROJECT_TITLE SARS-CoV-2 infection rewires host cell metabolism and is potentially susceptible PR:PROJECT_TITLE to mTORC1 inhibition PR:PROJECT_SUMMARY Viruses hijack host cell metabolism to acquire the building blocks required for PR:PROJECT_SUMMARY viral replication. Understanding how SARS-CoV-2 alters host cell metabolism PR:PROJECT_SUMMARY could lead to potential treatments for COVID-19, the disease caused by PR:PROJECT_SUMMARY SARS-CoV-2 infection. Here we profile metabolic changes conferred by SARS-CoV-2 PR:PROJECT_SUMMARY infection in kidney epithelial cells and lung air-liquid interface cultures and PR:PROJECT_SUMMARY show that SARS-CoV-2 infection increases glucose carbon entry into the TCA cycle PR:PROJECT_SUMMARY via increased pyruvate carboxylase expression. SARS-CoV-2 also reduces host cell PR:PROJECT_SUMMARY oxidative glutamine metabolism while maintaining reductive carboxylation. PR:PROJECT_SUMMARY Consistent with these changes in host cell metabolism, we show that SARS-CoV-2 PR:PROJECT_SUMMARY increases activity of mTORC1, a master regulator of anabolic metabolism, in cell PR:PROJECT_SUMMARY lines and patient lung stem cell-derived airway epithelial cells. We also show PR:PROJECT_SUMMARY evidence of mTORC1 activation in COVID-19 patient lung tissue. Notably, mTORC1 PR:PROJECT_SUMMARY inhibitors reduce viral replication in kidney epithelial cells and PR:PROJECT_SUMMARY patient-derived lung stem cell cultures. This suggests that targeting mTORC1 PR:PROJECT_SUMMARY could be a useful antiviral strategy for SARS-CoV-2 and treatment strategy for PR:PROJECT_SUMMARY COVID-19 patients, although further studies are required to determine the PR:PROJECT_SUMMARY mechanism of inhibition and potential efficacy in patients. PR:INSTITUTE University of California, Los Angeles PR:DEPARTMENT Biomedical Sciences PR:LABORATORY Heather Christofk PR:LAST_NAME Matulionis PR:FIRST_NAME Nedas PR:ADDRESS 615 Charles E Young Drive South Los Angeles, CA 90095 PR:EMAIL nmatulionis@mednet.ucla.edu PR:PHONE 310-206-0163 #STUDY ST:STUDY_TITLE SARS-CoV-2 infection rewires host cell metabolism and is potentially susceptible ST:STUDY_TITLE to mTORC1 inhibition ST:STUDY_SUMMARY Viruses hijack host cell metabolism to acquire the building blocks required for ST:STUDY_SUMMARY viral replication. Understanding how SARS-CoV-2 alters host cell metabolism ST:STUDY_SUMMARY could lead to potential treatments for COVID-19, the disease caused by ST:STUDY_SUMMARY SARS-CoV-2 infection. Here we profile metabolic changes conferred by SARS-CoV-2 ST:STUDY_SUMMARY infection in kidney epithelial cells and lung air-liquid interface cultures and ST:STUDY_SUMMARY show that SARS-CoV-2 infection increases glucose carbon entry into the TCA cycle ST:STUDY_SUMMARY via increased pyruvate carboxylase expression. SARS-CoV-2 also reduces host cell ST:STUDY_SUMMARY oxidative glutamine metabolism while maintaining reductive carboxylation. ST:STUDY_SUMMARY Consistent with these changes in host cell metabolism, we show that SARS-CoV-2 ST:STUDY_SUMMARY increases activity of mTORC1, a master regulator of anabolic metabolism, in cell ST:STUDY_SUMMARY lines and patient lung stem cell-derived airway epithelial cells. We also show ST:STUDY_SUMMARY evidence of mTORC1 activation in COVID-19 patient lung tissue. Notably, mTORC1 ST:STUDY_SUMMARY inhibitors reduce viral replication in kidney epithelial cells and ST:STUDY_SUMMARY patient-derived lung stem cell cultures. This suggests that targeting mTORC1 ST:STUDY_SUMMARY could be a useful antiviral strategy for SARS-CoV-2 and treatment strategy for ST:STUDY_SUMMARY COVID-19 patients, although further studies are required to determine the ST:STUDY_SUMMARY mechanism of inhibition and potential efficacy in patients. ST:INSTITUTE University of California, Los Angeles ST:DEPARTMENT Biomedical Sciences ST:LABORATORY Heather Christofk ST:LAST_NAME Matulionis ST:FIRST_NAME Nedas ST:ADDRESS 615 Charles E Young Dr S, BSRB 354-05 ST:EMAIL nmatulionis@mednet.ucla.edu ST:PHONE 310-206-0163 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 - Sample_01 Cell_type:HEK293T_ACE2 | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_01_RAW SUBJECT_SAMPLE_FACTORS - Sample_02 Cell_type:HEK293T_ACE2 | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_02_RAW SUBJECT_SAMPLE_FACTORS - Sample_03 Cell_type:HEK293T_ACE2 | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_03_RAW SUBJECT_SAMPLE_FACTORS - Sample_04 Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_04_RAW SUBJECT_SAMPLE_FACTORS - Sample_05 Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_05_RAW SUBJECT_SAMPLE_FACTORS - Sample_06 Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_06_RAW SUBJECT_SAMPLE_FACTORS - Sample_07 Cell_type:HEK293T_ACE2 | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_07_RAW SUBJECT_SAMPLE_FACTORS - Sample_08 Cell_type:HEK293T_ACE2 | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_08_RAW SUBJECT_SAMPLE_FACTORS - Sample_09 Cell_type:HEK293T_ACE2 | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_09_RAW SUBJECT_SAMPLE_FACTORS - Sample_10 Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_10_RAW SUBJECT_SAMPLE_FACTORS - Sample_11 Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_11_RAW SUBJECT_SAMPLE_FACTORS - Sample_12 Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_12_RAW SUBJECT_SAMPLE_FACTORS - Sample_13 Cell_type:Vero | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_13_RAW SUBJECT_SAMPLE_FACTORS - Sample_14 Cell_type:Vero | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_14_RAW SUBJECT_SAMPLE_FACTORS - Sample_15 Cell_type:Vero | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_15_RAW SUBJECT_SAMPLE_FACTORS - Sample_16 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_16_RAW SUBJECT_SAMPLE_FACTORS - Sample_17 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_17_RAW SUBJECT_SAMPLE_FACTORS - Sample_18 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_18_RAW SUBJECT_SAMPLE_FACTORS - Sample_19 Cell_type:Vero | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_19_RAW SUBJECT_SAMPLE_FACTORS - Sample_20 Cell_type:Vero | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_20_RAW SUBJECT_SAMPLE_FACTORS - Sample_21 Cell_type:Vero | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_21_RAW SUBJECT_SAMPLE_FACTORS - Sample_22 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_22_RAW SUBJECT_SAMPLE_FACTORS - Sample_23 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_23_RAW SUBJECT_SAMPLE_FACTORS - Sample_24 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_24_RAW SUBJECT_SAMPLE_FACTORS - Sample_25 Cell_type:NHBE-ALI | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_25_RAW SUBJECT_SAMPLE_FACTORS - Sample_26 Cell_type:NHBE-ALI | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_26_RAW SUBJECT_SAMPLE_FACTORS - Sample_27 Cell_type:NHBE-ALI | Sample_type:Mock Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_27_RAW SUBJECT_SAMPLE_FACTORS - Sample_28 Cell_type:NHBE-ALI | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_28_RAW SUBJECT_SAMPLE_FACTORS - Sample_29 Cell_type:NHBE-ALI | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_29_RAW SUBJECT_SAMPLE_FACTORS - Sample_30 Cell_type:NHBE-ALI | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=U-13C glucose; RAW_FILE_NAME=Sample_30_RAW SUBJECT_SAMPLE_FACTORS - Sample_31 Cell_type:Vero | Sample_type:Mock Hours_of_label=14h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_31_RAW SUBJECT_SAMPLE_FACTORS - Sample_32 Cell_type:Vero | Sample_type:Mock Hours_of_label=14h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_32_RAW SUBJECT_SAMPLE_FACTORS - Sample_33 Cell_type:Vero | Sample_type:Mock Hours_of_label=14h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_33_RAW SUBJECT_SAMPLE_FACTORS - Sample_34 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=14h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_34_RAW SUBJECT_SAMPLE_FACTORS - Sample_35 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=14h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_35_RAW SUBJECT_SAMPLE_FACTORS - Sample_36 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=14h; Tracer_used=U-13C glutamine; RAW_FILE_NAME=Sample_36_RAW SUBJECT_SAMPLE_FACTORS - Sample_37 Cell_type:Vero | Sample_type:Mock Hours_of_label=24h; Tracer_used=3-13C glucose; RAW_FILE_NAME=Sample_37_RAW SUBJECT_SAMPLE_FACTORS - Sample_38 Cell_type:Vero | Sample_type:Mock Hours_of_label=24h; Tracer_used=3-13C glucose; RAW_FILE_NAME=Sample_38_RAW SUBJECT_SAMPLE_FACTORS - Sample_39 Cell_type:Vero | Sample_type:Mock Hours_of_label=24h; Tracer_used=3-13C glucose; RAW_FILE_NAME=Sample_39_RAW SUBJECT_SAMPLE_FACTORS - Sample_40 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=3-13C glucose; RAW_FILE_NAME=Sample_40_RAW SUBJECT_SAMPLE_FACTORS - Sample_41 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=3-13C glucose; RAW_FILE_NAME=Sample_41_RAW SUBJECT_SAMPLE_FACTORS - Sample_42 Cell_type:Vero | Sample_type:SARS-CoV-2 Hours_of_label=24h; Tracer_used=3-13C glucose; RAW_FILE_NAME=Sample_42_RAW #COLLECTION CO:COLLECTION_SUMMARY Please refer to the Treatment and SamplePrep sections. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY Cells were infected with SARS-CoV-2 for 2 hr, at which point the virus was TR:TREATMENT_SUMMARY removed and the media replaced with DMEM containing 10 mM U-13C-glucose TR:TREATMENT_SUMMARY (Cambridge Isotopes), 10 mM 3-13C-glucose or 4 mM U-13C-glutamine (Cambridge TR:TREATMENT_SUMMARY Isotopes). ALI culture media was serum free, and Vero and HEK293T-ACE2 media TR:TREATMENT_SUMMARY contained 10% dialyzed FBS. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY To extract metabolites, we washed the cells with ice-cold 150 mM ammonium SP:SAMPLEPREP_SUMMARY acetate, pH 7.3, and then added 500 uL 80% methanol and incubated for 20 minutes SP:SAMPLEPREP_SUMMARY at -80°C. Cells were then scraped off the plate, vortexed and centrifuged for SP:SAMPLEPREP_SUMMARY 10 minutes at maximum speed. We dried 400 uL of the supernatant under vacuum and SP:SAMPLEPREP_SUMMARY stored the dried metabolites at -80°C. Dried metabolites were reconstituted in SP:SAMPLEPREP_SUMMARY 100 µL of a 50% acetonitrile(ACN) 50% dH20 solution. Samples were vortexed and SP:SAMPLEPREP_SUMMARY spun down for 10 min at 17,000g. 70 µL of the supernatant was then transferred SP:SAMPLEPREP_SUMMARY to HPLC glass vials. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Samples were run on a Vanquish (Thermo Scientific) UHPLC system with mobile CH:CHROMATOGRAPHY_SUMMARY phase A (20 mM ammonium carbonate, pH 9.7) and mobile phase B (100% CH:CHROMATOGRAPHY_SUMMARY Acetonitrile) at a flow rate of 150 µL/min on a SeQuant ZIC-pHILIC Polymeric CH:CHROMATOGRAPHY_SUMMARY column (2.1 × 150 mm 5 μm, EMD Millipore) at 35°C. Separation was achieved CH:CHROMATOGRAPHY_SUMMARY with a linear gradient from 20% A to 80% A in 20 min followed by a linear CH:CHROMATOGRAPHY_SUMMARY gradient from 80% A to 20% A from 20 min to 20.5 min. 20% A was then held from CH:CHROMATOGRAPHY_SUMMARY 20.5 min to 28 min. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME SeQuant ZIC-HILIC (150 x 2.1mm, 5um) CH:FLOW_GRADIENT 100% Acetonitrile CH:FLOW_RATE 150 µL/min CH:COLUMN_TEMPERATURE 35°C CH:SOLVENT_A 20 mM Ammonium carbonate, pH 9.7 CH:SOLVENT_B 100% Acetonitrile CH:INTERNAL_STANDARD 10 nM Trifluoromethanesulfonate (extraction buffer) #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME UCLA AN:OPERATOR_NAME Nedas Matulionis #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The UHPLC was coupled to a Q-Exactive (Thermo Scientific) mass analyzer running MS:MS_COMMENTS in polarity switching mode with spray-voltage=3.2kV, sheath-gas=40, aux-gas=15, MS:MS_COMMENTS sweep-gas=1, aux-gas-temp=350°C, and capillary-temp=275°C. For both polarities MS:MS_COMMENTS mass scan settings were kept at full-scan-range=(70-1000), MS:MS_COMMENTS ms1-resolution=70,000, max-injection-time=250ms, and AGC-target=1E6. MS2 data MS:MS_COMMENTS was also collected from the top three most abundant singly-charged ions in each MS:MS_COMMENTS scan with normalized-collision-energy=35. Each of the resulting “.RAW” files MS:MS_COMMENTS was then centroided and converted into two “.mzXML” files (one for positive MS:MS_COMMENTS scans and one for negative scans) using msconvert from ProteoWizard. These MS:MS_COMMENTS “.mzXML” files were imported into the MZmine 2 software package. Ion MS:MS_COMMENTS chromatograms were generated from MS1 spectra via the built-in Automated Data MS:MS_COMMENTS Analysis Pipeline (ADAP) chromatogram module and peaks were detected via the MS:MS_COMMENTS ADAP wavelets algorithm. Peaks were aligned across all samples via the Random MS:MS_COMMENTS sample consensus aligner module, gap-filled, and assigned identities using an MS:MS_COMMENTS exact mass MS1(+/-15ppm) and retention time RT (+/-0.5min) search of our MS:MS_COMMENTS in-house MS1-RT database. Peak boundaries and identifications were then further MS:MS_COMMENTS refined by manual curation. Peaks were quantified by area under the curve MS:MS_COMMENTS integration and exported as CSV files. If stable isotope tracing was used in the MS:MS_COMMENTS experiment, the peak areas were additionally processed via the R package AccuCor MS:MS_COMMENTS to correct for natural isotope abundance. Peak areas for each sample were MS:MS_COMMENTS normalized by the measured area of the internal standard MS:MS_COMMENTS trifluoromethanesulfonate (present in the extraction buffer) and by the number MS:MS_COMMENTS of cells present in the extracted well. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples Sample_01 Sample_02 Sample_03 Sample_04 Sample_05 Sample_06 Sample_07 Sample_08 Sample_09 Sample_10 Sample_11 Sample_12 Sample_13 Sample_14 Sample_15 Sample_16 Sample_17 Sample_18 Sample_19 Sample_20 Sample_21 Sample_22 Sample_23 Sample_24 Sample_25 Sample_26 Sample_27 Sample_28 Sample_29 Sample_30 Sample_31 Sample_32 Sample_33 Sample_34 Sample_35 Sample_36 Sample_37 Sample_38 Sample_39 Sample_40 Sample_41 Sample_42 Factors Cell_type:HEK293T_ACE2 | Sample_type:Mock Cell_type:HEK293T_ACE2 | Sample_type:Mock Cell_type:HEK293T_ACE2 | Sample_type:Mock Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Cell_type:HEK293T_ACE2 | Sample_type:Mock Cell_type:HEK293T_ACE2 | Sample_type:Mock Cell_type:HEK293T_ACE2 | Sample_type:Mock Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Cell_type:HEK293T_ACE2 | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:NHBE-ALI | Sample_type:Mock Cell_type:NHBE-ALI | Sample_type:Mock Cell_type:NHBE-ALI | Sample_type:Mock Cell_type:NHBE-ALI | Sample_type:SARS-CoV-2 Cell_type:NHBE-ALI | Sample_type:SARS-CoV-2 Cell_type:NHBE-ALI | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:Mock Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:SARS-CoV-2 Cell_type:Vero | Sample_type:SARS-CoV-2 1-methylnicotinamide M0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3015862.644 6605830.38 5451589.836 5328829.033 10117319.67 5811824.078 0 0 0 0 0 0 0 0 0 0 0 0 1-methylnicotinamide M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5425.274288 19718.1462 0 0 94588.16502 0 0 0 0 0 0 0 0 0 0 0 0 0 1-methylnicotinamide M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1-methylnicotinamide M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1-methylnicotinamide M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1-methylnicotinamide M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1-methylnicotinamide M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1-methylnicotinamide M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-hydroxy-trimethyllysine M0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2542068.848 3260439.813 4785090.484 5106390.107 3959541.251 3940903.454 869063.7795 647013.4059 1180736.299 387273.3153 366521.0918 485538.3051 113811.7684 113787.393 90570.92915 26443.55583 41034.59044 34710.99818 3-hydroxy-trimethyllysine M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1748.020243 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-hydroxy-trimethyllysine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-hydroxy-trimethyllysine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-hydroxy-trimethyllysine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-hydroxy-trimethyllysine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-hydroxy-trimethyllysine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-hydroxy-trimethyllysine M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-hydroxy-trimethyllysine M8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-hydroxy-trimethyllysine M9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5'-methylthioadenosine M0 757957.9489 1016229.628 940106.2582 1568506.554 2431951.046 2283199.775 9905095.194 9139771.758 11895735.61 10137644.34 13114568.79 9223227.463 942978.5038 733666.5338 857616.5699 1307518.988 1228876.913 1320257.841 5163305.529 5572992.019 5092560.768 4906170.692 5152791.221 6945479.549 1751047.945 1277326.549 1381895.091 1449365.992 1732454.903 1215203.955 54979335.11 51543342.69 60072878.88 53486890.38 60459059.87 64014981.64 1894541.276 1903219.071 1554321.068 2267533.444 1909456.551 1993420.499 5'-methylthioadenosine M1 0 0 0 0 0 0 0 0 0 0 0 0 51328.74137 33959.57432 13165.17015 0 55948.35408 0 0 0 0 0 0 0 86197.93304 0 0 0 0 0 0 0 0 0 0 0 2654715.789 2683328.054 2349287.455 3247194.221 2639848.65 2842437.683 5'-methylthioadenosine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 34282.75362 10728.38352 19562.97299 0 15553.42227 0 0 0 0 0 0 0 1320193.351 1299872.498 1141788.782 1566596.553 1310423.114 1443918.452 5'-methylthioadenosine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 85615.67826 101766.3594 60063.73391 130961.9592 46295.55369 92150.64633 5'-methylthioadenosine M4 73971.93486 2491.870872 4404.77651 29211.55275 73251.60933 24641.73011 0 0 0 0 0 0 117979.4511 88242.9477 68481.111 86217.66136 55837.43699 108000.239 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5'-methylthioadenosine M5 4064847.46 5568093.445 4753591.394 4408163.134 6601146.57 6310510.393 0 0 0 0 0 0 1836632.85 1908880.091 2347232.77 2404656.5 2645518.236 2827047.408 0 0 0 0 0 0 360554.25 276106.3823 283363.4503 404938.8352 403979.885 336564.6565 0 0 0 0 0 0 0 0 0 0 0 0 5'-methylthioadenosine M6 2428674.192 2998349.777 2551314.235 2168566.015 3147454.805 2913616.965 0 0 0 0 0 0 683511.2571 672925.0841 817802.1642 705316.8724 841298.6198 849671.7188 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5'-methylthioadenosine M7 1127866.523 1348346.855 1319983.68 1097451.381 1573083.01 1464169.534 0 0 0 0 0 0 469736.4281 390220.247 403098.6869 363793.2898 403298.0347 327737.4938 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5'-methylthioadenosine M8 485497.5484 650026.6186 581645.0653 432022.9088 665547.3156 693596.6665 0 0 0 0 0 0 168917.8852 110355.081 112626.2164 198498.8472 175830.6575 190068.2328 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5'-methylthioadenosine M9 63821.04156 102084.9633 134284.6391 83015.74808 117788.0735 89004.8191 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5'-methylthioadenosine M10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5'-methylthioadenosine M11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 acetyl-carnitine M0 2538820.001 3198288.035 2654913.73 3374218.021 4625660.963 4241421.347 8624762.764 9620025.958 12480626.62 11514666.43 13996186.44 10761442.59 3626956.306 3633915.804 4345841.501 5751023.237 4711383.721 5618645.336 7314138.928 7174308.747 8902207.243 9802569.763 11192909.1 10111939.78 12915171.19 2500308.818 3256435.073 8205295.984 10597899.66 6156525.968 56062085.82 59103943.74 64888486.76 74776341.24 76219983.02 76391318.21 3881222.564 4055888.464 3071418.617 4749945.575 4346158.963 4243960.456 acetyl-carnitine M1 26007.53141 55374.65651 89925.18047 45605.24865 167558.2939 146864.4826 23886.30062 23849.24322 0 60939.17871 0 0 0 0 0 0 0 25179.63766 0 0 32219.35407 0 0 0 145713.979 61717.46683 20557.26025 55674.40106 0 100436.8854 0 0 0 0 0 0 18689.53519 0 19823.38208 0 0 0 acetyl-carnitine M2 6234744.128 7036003.607 6670189.37 8153929.328 11479867.04 10456383.11 0 0 0 0 0 0 3183820.635 2768485.391 3558321.371 5886240.467 4469228.716 5454354.666 245248.4829 225159.2422 304515.4112 168064.9016 201600.9588 195906.0682 52002.74986 380179.5582 403163.1588 2638079.23 2600716.851 1811104.154 1011440.878 1077520.352 1197550.778 663774.6601 567052.7854 583638.1927 0 0 0 0 0 0 acetyl-carnitine M3 0 65706.58401 0 41321.72239 0 91441.25164 0 0 0 0 0 0 0 0 8899.412306 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 acetyl-carnitine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 acetyl-carnitine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 acetyl-carnitine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 acetyl-carnitine M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 acetyl-carnitine M8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 acetyl-carnitine M9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 adenosine M0 182004.3254 249277.74 216125.3434 327479.4992 379560.6425 609903.3573 3665346.636 3212839.164 3438388.315 2287848.184 2816724.243 1924538.436 0 0 0 0 0 0 16642350.05 33220676.47 34492236.37 18360407.82 21083394.18 18341016.93 11059857.37 7360132.392 11507441.75 10766926.65 19429416.93 10269439.91 4066344.226 5875633.338 5626775.285 4216571.59 6157505.946 5821536.675 156584.5974 174101.0793 107623.7365 172224.1256 152898.874 133887.526 adenosine M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 123870.0385 156867.7046 94370.18263 146967.0988 137889.4006 81599.56878 adenosine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 96914.65022 65062.64494 100416.4793 91574.69843 61110.2404 44658.82057 0 0 0 0 0 0 57910.60886 80755.46873 33781.30069 54051.49867 75819.62547 40895.34981 adenosine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 188962.5479 107423.8017 126810.4127 91400.83048 125246.2173 81648.48525 0 0 0 0 0 0 0 0 0 0 0 0 adenosine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 278517.6585 153815.4536 189114.6151 183683.6433 208897.7666 125304.844 0 0 0 0 0 0 0 0 0 0 0 0 adenosine M5 1045820.992 1190468.339 948582.1719 873437.0719 1069963.626 1692772.723 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1713941.468 1286477.347 1905997.599 2095255.423 3388114.822 2465630.035 0 0 0 0 0 0 0 0 0 0 0 0 adenosine M6 318828.1944 443488.0167 318694.9183 435547.2408 239282.1767 812612.7905 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17827.20622 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 adenosine M7 281424.7406 359719.1899 272200.1444 240292.9293 334030.0529 392210.9494 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 adenosine M8 137744.5031 72236.0589 11075.30266 90970.48703 36439.47596 174850.7872 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 adenosine M9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 adenosine M10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 alanine M0 7725663.517 9240886.837 8686568.43 7786770.979 8697878.894 8192651.429 30197270.4 28654093.59 34414625.18 22538240.91 29012752.79 24086921 2509603.105 1749433.48 2387417.401 1914434.106 1231072.533 1248070.769 0 0 0 0 0 0 26391932.94 21579899.95 22912264.25 23201402.62 22075298.05 21468804.82 59484751.45 64845164.53 63763934.96 52189087.99 46852990.54 46603412.08 8026454.048 8441845.447 7183491.432 4382962.299 5070733.237 4666462.356 alanine M1 18728.10659 124392.8118 6941.148144 92739.81857 0 0 0 11835.37164 131436.6331 0 277053.5891 0 0 0 0 0 0 0 0 0 0 0 0 0 1046734.398 1281073.872 1477413.008 1589302.296 1253875.47 1507213.591 0 0 96979.33142 0 89029.48852 0 6248987.547 5776595.831 5181713.946 2784582.611 3355321.435 2849845.588 alanine M2 34632.3924 0 135290.13 21426.22726 47651.12911 84144.98759 0 0 0 0 0 0 78137.80065 130361.5154 131311.04 0 0 0 0 0 0 0 0 0 1405268.649 2018785.521 1811464.565 2400216.034 1707431.281 2097802.542 0 0 0 0 0 0 71278.25977 100897.9346 76172.04132 26193.62126 0 0 alanine M3 23919250.33 29260370.11 27438033.53 21560806.48 25201258.92 20839550.92 0 148836.8231 235590.62 0 0 94617.7793 7039444.741 6105982.063 7966965.265 2732634.732 2934440.036 3201929.894 0 0 0 0 0 0 33012328.79 46156829.65 51974351.44 78753888.34 59852410.44 73150035.7 188219.3972 321140.9573 360691.3838 297293.7843 162505.9176 164941.8294 0 0 0 0 0 0 arginine M0 0 0 0 0 0 0 0 0 0 0 0 0 70047926.7 37832383.51 52442888.41 45433102.32 97233667.32 51328237.27 106041482.1 91497416.96 62747068.37 76540575.94 55302514.28 87469098.19 680427858 363276346.1 210115660.8 202159963.2 207883151.8 165569191.8 367298899.8 402627092.8 379715418.2 537342659.9 375994078.6 348929341.7 35003317.55 43982214.07 30899318.39 39859678.12 49374166.44 36143497.32 arginine M1 0 0 0 0 0 0 0 0 0 0 0 0 37739.07973 0 0 15193.48973 0 0 0 0 0 0 0 127741.9946 0 48768.66179 0 41692.81267 0 0 0 0 0 0 0 0 0 0 19396.25133 0 0 0 arginine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 arginine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 arginine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 arginine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 arginine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 asparagine / N-carbamoylsarcosine M0 2988891.023 3616209.862 3099938.973 2871014.188 3852585.442 4668141.017 1873728.266 1780789.708 2390225.896 1358049.892 2487354.491 1844408.361 0 0 0 0 0 0 0 0 0 0 0 0 38958696.84 47817742.43 54330602.18 55026737.59 60789529.86 55515376.92 0 0 0 0 0 0 1840560.16 1532968.002 1703549.908 1153065.536 1166232.933 1163168.234 asparagine / N-carbamoylsarcosine M1 0 0 0 0 0 0 15419035.37 12067276.91 10885943.75 13448175.78 12463230.6 13058206.54 0 0 0 0 0 0 4467948.182 4333293.522 3452465.43 4093347.245 3424604.629 4449318.098 21475339.88 29042572.21 33286803.02 37320284.95 42877597.09 37617923.32 22076305.7 22468124.85 19107450.61 22049163.86 22692526.45 20388621.99 116640.5454 41155.10247 78656.47392 98321.23761 49620.69436 109116.8203 asparagine / N-carbamoylsarcosine M2 362509.7946 964038.5993 547242.7789 282141.8452 514967.9338 743156.4765 726710143.3 594259312.9 523921277.4 606323459.8 661089156.2 582456339.6 0 0 0 0 0 0 229679833.2 207108951.9 169708472.5 184131238.3 154245305.7 199742390.6 11699380.48 15337534.65 17221163.59 22787351.29 25403443.42 21897038.52 1058199887 1155735112 1162174486 1107326355 1124497229 1110872706 0 0 0 0 0 0 asparagine / N-carbamoylsarcosine M3 644989.9155 723493.5364 662743.4166 586707.4081 749539.278 1016015.235 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 asparagine / N-carbamoylsarcosine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 betaine M0 55562940.46 72421052.64 62495474.34 54712317.77 71994177.73 55947707.5 50211145.63 52389624.35 69846372.23 48469223.12 59692065.62 51940345.91 47753416.51 39943266.29 41428992.54 31333930.75 36713214.94 37333635.99 57549954.62 60837780.99 62593725.41 40080110.44 41814177.13 39008812.08 7885291.318 9273086.6 13227989.73 9958751.704 13939289.44 9741109.02 264340120.2 309567669.3 325948299.3 333884780.5 351957017.6 361893430.2 32236826.7 28482497.19 24409587.68 22373811.4 20645868.74 20786546.43 betaine M1 52541.03126 0 0 131338.391 0 0 132153.4718 0 0 0 0 0 179529.3866 308125.9857 594981.9659 281995.8463 0 0 0 0 12421.62713 0 26872.45291 0 71306.7988 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 betaine M2 192428.4522 186104.2504 212503.1743 229249.7912 214423.9804 41519.28602 37555.51718 148968.9814 198607.678 46273.74979 229801.093 235461.3889 111460.8099 90179.36049 115340.0134 93121.00036 0 27047.86245 0 0 0 0 0 0 0 0 0 0 0 0 662074.0171 663048.2194 639455.13 695761.6596 975541.5757 423723.5302 79942.3823 70335.88197 64506.44557 51118.87299 64385.18602 62202.17694 betaine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 betaine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 betaine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 carnitine M0 20208378.27 27816940.7 24207175.84 21112000.24 27095810.12 22290896.6 17196329.41 15689936.69 25297746.46 15718047.22 17594955.85 16990058.51 21683682.71 19507659.06 24255462.17 15978354.33 14719730.9 15501043.3 22286872.46 23618975.96 25094162.2 16638885.5 19101753.08 16504394.83 37320658.27 26940413.3 6025233.596 4690105.471 16517967.89 2009794.75 108077006.8 127454031.9 130445491.8 123594861.9 118362779.5 127920759.6 11313747.28 10175973.84 9320393.143 8448806.06 8611745.926 8812364.291 carnitine M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 carnitine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 carnitine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 carnitine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 carnitine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 carnitine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 carnitine M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline M0 73460.29703 144868.9034 202844.9244 336389.5976 480139.8782 415566.812 352712.1013 361838.7628 500775.3833 537774.1441 652196.8904 530180.4874 224398.45 164197.8011 300661.6882 285129.6909 298946.1648 386460.2298 0 0 0 0 0 0 620247.0191 1018115.384 1344862.657 764227.1079 1054356.338 703467.6926 3481415.09 4409497.611 4308168.784 3613625.48 3692374.293 4506622.167 533427.8979 278644.0232 286042.1445 526914.9226 337276.7286 551810.6289 CDP-choline M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 65710.27687 39616.67433 0 245030.8353 98934.37705 141134.5523 241313.7256 160248.3889 277096.5828 CDP-choline M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 61364.47859 12516.22598 49452.78577 15658.99529 85527.6792 0 108101.8011 55066.36963 62737.89441 104177.891 80438.55231 135825.0524 CDP-choline M3 101038.7271 59772.50443 0 0 232726.9105 299100.3487 876308.2439 535014.6701 655280.8633 229812.2544 1339214.905 621413.753 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1675707.879 1512035.262 1286815.528 1606321.962 1100322.846 1459667.584 79486.98764 59659.05281 75128.43239 162098.6273 99414.48305 96125.72542 CDP-choline M4 0 0 0 0 0 0 0 47868.35806 0 0 219000.1147 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline M5 1107794.76 1640337.141 1013634.013 975525.7098 1844355.476 1566996.528 0 0 0 0 0 0 607268.5547 380163.5175 494772.4669 433444.3684 1024046.724 408708.3143 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline M6 27471.21419 228436.364 103557.2223 35575.57473 118088.0294 0 512893.0949 243123.4144 176316.5281 0 531507.782 224340.2963 0 0 57455.53902 0 51777.92306 32265.06295 0 0 0 0 0 0 0 0 0 0 0 0 0 0 51351.33359 0 0 0 0 0 0 0 0 0 CDP-choline M7 397717.9873 526117.1832 394496.016 378393.7473 683464.4269 500966.1874 0 0 0 0 0 0 209437.0151 0 35424.71898 166837.7945 393045.8383 85983.88994 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline M8 0 106160.993 30311.88735 0 128105.0889 0 1389181.395 698494.9191 567554.3694 250637.8549 2258454.399 828131.6838 15888.18955 0 0 1190.3732 15494.46713 0 0 0 0 0 0 0 0 0 0 0 0 0 803136.1459 867471.2542 419796.0573 1035979.44 399867.1354 203776.2148 0 0 0 0 0 0 CDP-choline M9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline M10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline M11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline M12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline M13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline M14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 choline M0 174132874.8 195550696.9 156434097.9 192221105.4 214822513.2 5917825.378 33149554.17 220951196.8 198670059.3 145811214.9 136371381.6 133348584 34717408.78 22291540.25 28971542.09 37501448.1 51200563.94 35475035.47 39226268.6 40180532.79 35273125.28 50446344.65 48567553.37 52102821.8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 choline M1 472154.0218 542408.9116 621096.8647 551564.4038 550625.0658 0 175448.9697 738125.7369 554425.3814 496360.6115 0 636543.2125 100616.4926 81164.24706 71014.8427 160937.6473 111580.9268 78125.79736 94853.89426 103246.0625 68170.6969 181211.9512 117177.2841 175083.8072 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 choline M2 155258.5737 126221.2352 119030.1949 182981.9856 189855.8268 0 0 0 35087.03932 4323.371632 34648.87477 0 34405.50583 14151.06139 13814.11682 30916.14459 21276.10047 23274.00579 24455.97239 19251.24728 39948.56847 36609.54674 42239.21166 43194.54806 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 choline M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 choline M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 choline M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 citrulline M0 153666.2217 191947.5251 0 115829.0697 105264.402 171961.6496 0 0 0 0 0 0 118917.3781 0 155293.7501 199589.2731 0 189219.6406 341230.4508 153227.2699 144270.674 171455.2141 171731.5637 314665.9834 2838679.611 2066626.692 3819908.952 2530484.122 3036863.207 1774510.626 54670.06737 0 421477.2495 0 0 0 0 0 0 0 0 0 citrulline M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 54670.06737 0 421477.2495 0 0 0 0 0 0 0 0 0 citrulline M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 54670.06737 0 421477.2495 0 0 0 0 0 0 0 0 0 citrulline M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 54670.06737 0 421477.2495 0 0 0 0 0 0 0 0 0 citrulline M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 54670.06737 0 421477.2495 0 0 0 0 0 0 0 0 0 citrulline M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 54670.06737 0 421477.2495 0 0 0 0 0 0 0 0 0 citrulline M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 54670.06737 0 421477.2495 0 0 0 0 0 0 0 0 0 creatine M0 746531648.3 1034471278 902616993 668951736 827688895.9 484120987.3 517698899.9 534068758.2 988070451.2 379243273.6 444815413 401081921.7 240557911.4 223183057.8 298289062.6 185283480.7 160539734.4 191779053.4 201785131.6 220547994.2 258573296.6 150346587.5 198790431.4 150270359.3 849131735.8 1185608145 1642724595 1690108821 1583202674 1315429190 1487764746 1739922816 1842935312 1816783571 1645273598 1817240385 175161954 165190632.7 133104938.3 132199201.9 140243990.1 132591613.9 creatine M1 1503975.804 3272164.176 2660595.675 1260924.582 2374165.685 2149547.562 0 119776.1302 3831093.265 0 0 0 0 433156.2107 0 135355.2823 366446.2205 150289.794 0 0 0 0 0 0 3065662.454 4917574.421 6574457.097 5091206.786 6079498.456 4367828.042 0 0 0 0 0 0 0 0 0 0 0 0 creatine M2 0 0 0 0 0 0 184613192.9 189197672.6 253884286.9 131134315.8 165148050 132565705.5 0 0 0 0 0 0 117477743.5 119105826.9 128895811.7 49661465.72 48272884.78 50921875.35 0 0 0 0 0 0 113866632.9 150577701.2 155780241.7 132058632.4 126194714.6 131140902.4 0 0 0 0 0 0 creatine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 creatine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 creatinine M0 22598386.24 19727567.87 14561789.42 17442342.03 24038562.64 31839919.66 22856815.03 15550318.62 19666747.57 17115813.58 22017401.95 18729308.92 4850241.254 4536981.836 3555222.595 1052540.207 3077272.211 874375.8335 7847143.201 8452011.446 5667625.97 2353001.288 3917923.301 1522639.518 47185136.39 49411275.23 43635516.53 66143809.48 83426682.66 66506001.82 72388622.42 27036474.31 72653208.59 63778970.06 19208321.74 80228283.46 2130664.094 4134838.993 2320227.786 1105449.381 1184129.165 443194.8729 creatinine M1 44223.80472 0 0 0 74469.87654 3941.014971 0 33264.67266 2404.607773 0 14095.03042 33219.54438 0 0 0 10378.2817 0 7111.691141 0 0 23485.29181 7674.50462 0 0 72179.3046 40118.17715 66131.10286 20923.60241 0 104325.319 0 0 0 0 0 0 380.1884875 0 5694.00457 5316.371332 0 5728.638554 creatinine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 creatinine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 creatinine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cystathionine M0 5634449.634 7716129.688 7405492.178 3494993.262 4558394.346 3859693.963 6104300.8 6100235.736 12381773.46 3308116.707 3958172.966 3374916.702 381090.7098 436716.3373 714204.5823 264296.0954 265052.8731 375078.4039 0 0 0 0 0 0 120555.7607 158127.2649 266903.3292 330347.8598 411177.2256 300155.0699 6046200.735 7210722.638 8111509.874 5055977.354 6305264.838 5893222.225 2446676.637 743505.3122 1244970.124 1806685.407 846903.5918 1869698.038 cystathionine M1 364506.3064 444351.725 457539.572 192218.5132 270586.7816 147861.0721 0 0 0 0 0 0 0 6702.539844 13666.53528 0 0 4789.412219 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 35989.00792 11268.12313 13626.76669 26957.75858 0 38867.09067 cystathionine M2 201465.7979 343946.4725 285866.2808 99414.1874 168429.9586 113325.2744 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cystathionine M3 754918.5903 1036708.369 963342.5532 363523.757 519921.7085 454747.2707 0 0 0 0 0 0 36119.73441 41745.75533 57342.67571 0 0 25102.93182 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cystathionine M4 93272.51259 159853.6253 146675.0439 9323.624889 67616.3541 4376.02268 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cystathionine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cystathionine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cystathionine M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 gamma-butyrobetaine M0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7779940.109 7766154.514 9925663.388 3033029.911 4180146.665 3097110.218 8694233.671 11822734.3 14110530.94 12958020.71 16844242.7 13144095.89 26392956.01 29123700.86 30809440.04 25962370.83 26107680.22 27674472.16 4389438.637 3988147.684 3379402.265 1889258.64 1860587.366 1785663.871 gamma-butyrobetaine M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21693.91018 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 gamma-butyrobetaine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 gamma-butyrobetaine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1613207.715 2132019.849 1267230.63 516100.3186 777319.9941 924406.143 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 gamma-butyrobetaine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 45014.48001 86894.0361 32291.03749 0 26011.48649 18453.50991 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 gamma-butyrobetaine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 gamma-butyrobetaine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 gamma-butyrobetaine M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glycerophosphocholine M0 546219479.6 644945873.8 511852507 607873368.7 762534229.9 686281415.7 734321172.1 599056227.9 774975187.9 820234495.1 993078027.1 788092262.1 1210792025 1091089818 1301332284 1254146238 1354807411 1200690267 1621654943 1678450457 1716407992 1697926409 1697780405 1736589220 747495389.3 602097337.1 704724812.5 449079661 529676094.6 457658268.9 7712095303 9833891291 10091756025 8544847666 8545493855 9596169926 1029463220 812480438.3 795873354.6 1008566347 897824871.1 951688242.8 glycerophosphocholine M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6143226.886 3485446.265 2804075.945 1313719.901 105789.3239 1107074.55 0 0 0 0 0 0 153096536.1 122030827.9 118986947.6 113915782.2 99607091.65 106366780.3 glycerophosphocholine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10288977.81 7000699.407 5622727.61 3384078.676 1685784.305 2720269.574 0 0 0 0 0 0 0 0 0 0 0 0 glycerophosphocholine M3 209195153.5 249893138.6 197652025.2 236639764.6 300114292.1 261219184 0 0 0 0 0 0 422043043.4 409467748.3 481106142.4 292720554.8 300436805.7 304078113.5 0 0 0 0 0 0 472941894.8 382160290.4 411717983.2 322672750.3 334711966.7 330644874.1 0 0 0 0 0 0 0 0 0 0 0 0 glycerophosphocholine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4075.693669 0 0 0 0 0 glycerophosphocholine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glycerophosphocholine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glycerophosphocholine M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glycerophosphocholine M8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 glycine M0 9857752.776 4338393.795 4758598.016 4638734.095 4090764.548 8291429.471 8510771.601 5712865.128 5469201.783 6423170.722 6951946.624 7768445.891 779984.1568 567963.9533 670030.9794 548058.7398 668160.9144 645173.902 864192.03 1004916.402 934499.4475 700699.7 695514.6204 692289.4476 23465975.57 32607493.94 37498783.62 33606867.55 30282837.37 31598009.75 5840359.114 5446228.831 5346040.793 5962222.673 5524526.91 7215667.169 1483374.314 1539887.783 1260839.927 1328538.463 1448554.653 1239305.271 glycine M1 0 0 0 0 0 0 0 0 0 0 188.1834662 42801.30112 0 0 0 0 0 0 0 0 0 0 0 0 124613.4254 31936.92294 300572.1185 51060.91149 71023.54928 245673.624 0 0 0 0 0 0 163027.5569 160323.2995 146531.2388 99146.43759 138816.3731 160865.9716 glycine M2 686279.0725 909994.0677 875474.5149 829566.1696 793590.7119 984318.8331 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 870490.7092 958750.4794 1244262.966 1046842.765 1218105.846 1098808.263 0 0 0 0 0 0 0 0 0 0 0 0 kynurenine M0 3295957.731 4531021.714 5380909.059 3010991.763 3815602.462 6112794.475 4956624.184 6040300.81 4734132.71 3467122.285 4967934.991 3532616.946 437041.4935 323395.7849 416305.3556 305668.9126 401451.1672 347531.4589 437276.3412 425019.1078 432202.1821 362604.0826 211820.2525 596451.9573 828327.5517 1306007.617 2533200.552 2827430.539 1588889.903 2072981.438 1298649.032 1113877.517 2090201.554 2159204.202 2545443.04 1680277.168 704241.1881 361332.8133 478869.0771 556999.6492 218405.1614 577404.6026 kynurenine M1 0 87077.42175 0 0 0 230864.2968 0 0 0 0 0 0 0 0 0 0 0 1835.965502 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 kynurenine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 kynurenine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 kynurenine M4 0 0 0 0 0 0 2440458.944 2247458.716 1989212.03 3955038.725 2852135.007 5619442.626 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 kynurenine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 kynurenine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 kynurenine M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 kynurenine M8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 kynurenine M9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 kynurenine M10 392374.9625 167858.4885 187079.8652 514494.0218 683207.4633 829856.1096 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 leucine / isoleucine M0 961568386.1 946948577.4 971431161.2 851805936.6 981059102.4 1703105967 1475945902 1215084039 1001593947 1147543567 1366603501 1100265907 154397179.8 84387891.81 109627921.6 101418104.1 218426934.1 115167970.1 217787750.2 190369008.2 139208240.1 171238702.1 126435460 191461558.5 565932252.5 207928602.3 113898540 152095091 124885561.8 107949834.9 1311086264 1422562273 1347498632 1541748706 1439281169 1310239239 125708861.3 134713574.6 101399119.6 150800484.4 141272812.1 126383717.4 leucine / isoleucine M1 2544079.223 2127558.524 2792183.43 1563762.398 1931603.803 13126542.71 8144458.162 5107840.261 3002004.75 5765888.677 4674098.338 5526466.958 46723.17179 0 0 0 0 0 0 168694.1109 0 0 0 0 4868209.756 861869.4938 385274.2078 149047.5439 13142.49968 74598.38208 55410.36027 0 0 0 0 0 527641.8464 253331.7816 530407.2772 678626.124 794331.9702 794648.0745 leucine / isoleucine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 leucine / isoleucine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 leucine / isoleucine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 leucine / isoleucine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 leucine / isoleucine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 lysine M0 0 0 0 0 0 0 0 0 0 0 0 0 35664696.4 15057226.35 27870434.46 18392953.97 54286589.15 24547791.41 68185837 53698378.97 36230341.6 42641565.44 26418746.74 53611885.43 314339602.2 156680948.6 121615380.4 131825094.8 133006382.5 106401821.3 264373290.3 302925313.4 276437433.8 297431095.4 272877259.7 264944393.6 39898840.7 33504032.99 28378298.99 39657377.95 38357987.38 33594285.1 lysine M1 0 0 0 0 0 0 0 0 0 0 0 0 69971.55426 0 2707.020271 0 114783.5509 0 0 57055.32821 0 1324.533533 0 0 350983.0391 73444.3122 47693.88308 0 0 0 0 0 0 0 0 0 0 0 18873.895 0 0 0 lysine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 lysine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 lysine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 lysine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 lysine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 metformin M0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 109115.4492 139958.3923 142028.7426 108616.8034 136539.0351 0 0 0 0 0 0 metformin M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 metformin M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 metformin M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 53257.75233 144801.4463 87222.99357 62535.24695 46032.9501 49749.33601 0 0 0 0 0 0 metformin M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methionine M0 173204069.9 234249809 208876955 206720594.5 173108873.4 354645061.2 292316967.4 272674776.6 240681137 221677677.1 246149987.6 200064067.3 16882832.13 8824429.598 10042599.51 8113166.98 15316745.64 8460414.792 21123024.11 18868384.66 11667597.8 11806601.69 7606258.538 11713150.37 91494975.26 98338521.86 65021458.72 138152768.7 87879450.19 94337374.97 292048423.6 306177972.8 291627114 299634929.7 276378415.7 284573811.5 40848684.3 42848285.92 30160523.03 45521771.69 42056120.58 37393268.51 methionine M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methionine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methionine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methionine M4 3253044.344 5062835.598 4471548.742 2593647.767 2461603.019 4078099.059 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methionine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methioninesulfoxide M0 189788592.5 207540845.7 202740916.6 166132371.3 181240974.3 389846135.5 321732545.3 229169757.8 192254579.6 215912661.5 293599993.6 213064269.7 0 0 0 0 0 0 43098630.36 35041774.8 25643476.88 27297035.83 24708573.74 39832595.04 36894562.17 33008727.89 30781571.76 26268868.59 25074799.45 25322644.17 42042345.99 53047907.17 61032505.83 90868362.63 54628917.81 59641132.4 9455244.904 7386055.353 5659468.216 12476604.18 10180669.32 10259675.93 methioninesulfoxide M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methioninesulfoxide M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methioninesulfoxide M3 0 0 0 0 0 0 0 0 0 0 7611.059973 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methioninesulfoxide M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 methioninesulfoxide M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M0 229832.4628 455749.5355 325706.1531 362007.6279 579511.3567 0 6996174.313 6080684.259 9459283.042 4935972.64 6765263.629 5998119.086 1495887.607 1346605.441 1853355.138 1667958.22 1605406.441 1918050.615 11600239.12 11069865.75 12005632.44 9115720.062 10291910.85 10227876 2571143.622 3812669.632 5455903.646 4444050.497 5270121.748 3410046.584 41214845.87 41665648.79 41804521.15 40426026.49 40383750.02 40656187.53 2085007.435 1573948.816 1683644.739 1983713.285 1818013.459 2171351.413 NAD+ M1 0 0 0 0 0 0 0 167724.4226 0 186856.0303 0 0 0 0 0 0 0 0 0 0 46303.68407 115995.9997 0 0 224244.6396 421644.3304 248057.5073 219150.3044 337231.3755 362302.0157 0 0 0 0 0 0 2366758.799 2022283.226 2034258.183 2399759.434 2333488.171 2623884.757 NAD+ M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 985146.9424 988407.819 1280422.515 1212767.072 1148938.314 811702.3801 0 0 0 0 0 0 3162159.492 2631883.669 2606679.712 2969813.71 2658426.357 3022545.472 NAD+ M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 440164.1363 565094.8382 423667.4886 426749.2522 413533.4532 179804.2383 0 0 0 0 0 0 1786703.498 1416596.274 1695467.934 1910283.519 1589109.526 2021655.053 NAD+ M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 881134.9361 1428766.642 1401098.081 980255.3123 895753.5336 671460.302 0 0 0 0 0 0 663925.6659 536125.3244 454341.0154 584598.5118 465681.9829 638563.5605 NAD+ M5 1260433.051 1550776.924 1517442.923 1059787.452 1952010.828 1470095.89 0 0 0 0 0 0 2365921.788 2233615.731 2677427.302 2638819.551 2369136.723 2781249.041 0 0 0 0 0 0 6885998.72 10489375.14 12674249.17 13307021.85 15595712.86 12411587.05 0 0 0 0 0 0 52614.17711 45291.18688 98118.58791 64030.53141 31883.7213 39779.00114 NAD+ M6 0 8776.398434 57366.56123 0 0 0 0 0 0 0 0 0 97413.12704 128189.383 104293.0545 175588.5126 162929.2241 126442.4112 0 0 0 0 0 0 200246.4063 118333.5734 31310.87997 134494.3694 0 405718.8656 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M7 0 0 0 0 0 0 0 0 0 0 0 0 0 114581.7243 156884.2388 111415.7019 120424.9435 84690.62448 0 0 0 0 0 0 180126.3305 430018.9418 378972.1072 670065.7547 402428.1207 404835.3142 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 132535.541 82349.02878 132897.2565 56338.127 15511.70327 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M9 31063.33376 97919.89286 0 111934.8322 2841.766271 0 0 0 0 0 0 0 143275.4111 118305.1849 119117.9994 0 69109.02113 158020.1335 0 0 0 0 0 0 361231.8311 248947.9037 607566.3036 393074.6759 152970.9001 392313.3463 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M10 3310737.815 3935311.651 3464389.184 2752848.537 3739892.33 2335960.177 0 0 0 0 0 0 3513482.198 3231243.031 3632730.693 2917533.71 2793696.021 2862858.694 0 0 0 0 0 0 1336952.023 1958666.857 2356314.464 2465103.056 3315714.683 2814393.428 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M11 1632118.149 1550536.303 1911219.909 472018.6405 1581307.136 1187477.564 0 0 0 0 0 0 1257271.54 1267217.34 1375374.413 915342.2162 1072466.28 957300.3057 0 0 0 0 0 0 0 77012.98983 0 47081.34449 0 121581.828 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M12 806120.7792 1098444.294 762524.0592 655189.8771 959442.9785 488667.0634 0 0 0 0 0 0 555964.6885 366839.7552 521932.4797 429601.2508 370557.8056 604400.9914 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M13 292931.1174 386824.3788 421472.702 184187.3205 356442.8408 0 0 0 0 0 0 0 186004.2575 164933.2558 216814.2936 99688.43237 172339.6628 166297.9637 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ M21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M0 0 0 0 0 0 0 230791.1435 185917.8091 336785.1642 150818.9274 244536.9595 124128.7427 50686.48042 19669.20747 55240.34163 62827.71024 39176.79984 58935.30379 375368.1961 347295.3635 447017.0979 302168.25 370273.3711 308777.8017 113435.1791 127905.9652 184924.7007 254003.4363 125562.6919 125987.7524 1883439.413 1160987.938 2038393.261 1187194.533 1115969.735 1145968.498 96273.90219 59994.92654 64561.41519 98157.93547 70497.93046 99867.14344 NADP+ M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9638.847014 13930.24832 1252.018542 0 0 0 0 0 0 0 0 142069.5901 83148.57807 74074.05798 117162.2519 88523.4284 110762.8421 NADP+ M2 0 0 0 0 0 0 145547.8812 140800.1116 129451.7771 98360.2639 127439.8765 104218.7498 0 0 0 0 0 0 0 0 0 0 0 0 22986.95623 19150.48662 25952.09478 53077.13953 14563.85764 5688.37841 0 0 0 0 0 0 157058.1509 77004.07093 84377.18523 136349.2171 111448.1415 153861.5866 NADP+ M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95494.42513 65786.51483 67007.59192 87584.78322 67462.05924 95576.48259 NADP+ M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 39311.99912 24160.96486 14325.31835 44145.83392 11889.20132 23057.7304 0 0 0 0 0 0 35137.8664 4171.508571 18654.00653 22538.2614 21733.29978 28000.446 NADP+ M5 21162.4767 0 40679.62235 41378.75542 85718.69565 22851.49889 0 0 0 0 0 0 100334.6818 55869.70771 107496.3703 90696.47174 75466.86577 106004.7652 0 0 0 0 0 0 288556.0106 292202.4809 459269.4869 570074.8599 377400.1343 457885.465 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9890.464361 0 0 0 1039.090045 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23.22534416 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M10 98594.81189 147757.0495 136139.5515 85736.25289 181352.0282 65737.49293 0 0 0 0 0 0 116510.4032 91407.26527 143337.9073 98497.06314 86460.78474 95953.97448 0 0 0 0 0 0 26204.31687 29687.50378 60739.99428 99082.08406 66333.78578 87820.62348 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M11 50967.8837 53101.3294 56602.90223 30063.17654 65846.35818 60604.30758 0 0 0 0 0 0 32815.88288 21947.18153 37473.62701 12540.40331 6372.499043 29471.84018 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M12 0 0 3560.545183 0 42234.35065 0 0 0 0 0 0 0 0 0 23056.60523 0 16434.32504 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ M21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 nicotinamide M0 420526819 381306620.7 390083022.9 359170769.6 409750028.3 927540416.8 760852134.3 583087406.5 403373208.3 585464382.3 643699290.7 556864778.3 14848706.12 7185293.723 8814218.911 9718908.898 23419963.97 8537414.978 22339196.16 24161951.88 11511551.73 16811095.78 6731873.88 19419660.77 128987467.3 97461612.86 107466034.5 176351355.4 163248661 124635288.7 86429679.71 94530930.04 76188321.04 99143991.5 98694708.18 92691097.45 11320419.78 21440872.51 10667314.67 17108017.5 20149947.04 9561679.996 nicotinamide M1 111862.3089 826277.3232 931934.5043 546295.982 349624.963 1480186.185 600350.71 1536731.39 474643.7036 1536174.749 1218275.832 980396.5372 17691.8297 61465.33878 0 79250.84115 0 0 233210.8475 45759.63607 0 0 0 0 124240.7882 238635.6566 226718.7779 419860.5048 368362.7548 283766.99 0 0 0 0 257857.1511 0 0 0 0 13876.0363 2647.341914 0 nicotinamide M2 28520.97337 42510.62492 56228.71276 73446.12189 84671.60972 69751.79423 128288.6892 61966.7047 30873.53137 69916.77388 84028.62133 82214.12522 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 42250.04024 0 15553.62136 14639.60164 21810.17758 9598.324205 11086.55825 14408.96172 9620.71731 nicotinamide M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 nicotinamide M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 nicotinamide M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 nicotinamide M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-trimethyllysine M0 0 0 0 0 0 0 0 0 0 0 0 0 541264.3656 343525.8077 469354.6574 151544.71 145492.7443 143795.0223 468875.8523 375081.8139 449790.7752 129806.6506 169734.1236 141202.0437 1517280.795 1736362.458 2517471.322 2933359.863 2768629.512 1861920.592 2162168.595 1957633.744 2504498.677 1234412.914 1100038.691 1184304.755 513399.2651 493209.2392 393624.4257 168536.4754 207734.1713 185181.6846 N-trimethyllysine M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4799.031837 0 0 0 0 N-trimethyllysine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-trimethyllysine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-trimethyllysine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-trimethyllysine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-trimethyllysine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-trimethyllysine M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-trimethyllysine M8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-trimethyllysine M9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ornithine M0 0 0 0 0 0 0 0 0 0 0 0 0 2682220.43 957818.2235 1638432.724 1112122.332 2932841.236 1492971.513 0 0 0 0 0 0 6294273.814 2059179.664 3019823.8 4149387.232 2288450.771 2271213.155 34889706.58 37319606.36 30581004.28 31306864.95 29359978.48 29752806.91 4165357.682 5319801.896 3680035.099 5206214.393 6627235.951 3998400.426 ornithine M1 0 0 0 0 0 0 0 0 0 0 0 0 9198.582066 0 159.2121539 8015.740138 5245.493415 1631.49001 0 0 0 0 0 0 80787.70245 124720.4293 133712.5358 134176.3278 94227.52772 142899.3027 0 0 39407.78056 0 26583.27526 83520.19817 0 0 0 0 0 5195.864487 ornithine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ornithine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ornithine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ornithine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanine M0 809236876.3 917162389.7 800837982 745235695.1 800439221.1 1625297339 1331038598 996463255.9 795988887.8 958327340.3 1203940697 896055086.4 75926508.26 47721973.12 57246291.86 55535713.18 121215161.8 61770530.94 126819057.2 105749986.1 74313752.67 90042077.21 67269698.59 108146050.3 622160470.9 308460066.2 292453116.9 300914520.2 317641243.6 246919843.2 649093155.5 732083077.1 675522855.2 778935295.7 726254724.2 686757797.1 96589823.17 88529703.23 73378723.98 108224932.8 102736935.1 94251447.11 phenylalanine M1 1113394.655 1274150.189 1171157.864 886785.9716 0 3238229.623 1180892.791 2355633.603 299477.9062 229571.8914 1108355.691 1101032.798 0 0 78504.4866 0 0 0 441883.4951 453578.3035 27793.23074 365374.2752 0 0 357534.4184 466467.5201 0 0 0 46967.1651 0 0 0 2776919.706 4507761.437 2054683.213 0 109953.6371 26563.76563 0 0 97407.03512 phenylalanine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 56784.15955 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12215.55809 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanine M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanine M8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanine M9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phosphocholine M0 1778620146 2283978865 2009422970 1494231616 1811478974 1573337124 1688104128 1554809836 2146297964 1087299626 1589768700 1174827461 1297441989 1130356157 1347400543 761729604.4 739879739.9 793279839.4 1352649421 1276237631 1439743870 714455659.6 845810722.1 789291581.3 1025202750 1552285019 1725045632 1775769782 1852281161 1682944696 5796883539 6508196906 7140094850 5818416543 6119954469 5870887357 836850852.2 831466102.5 669293123.9 545710288.9 620917622.5 548689448.4 phosphocholine M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phosphocholine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phosphocholine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phosphocholine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phosphocholine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 proline M0 545390845.1 649668809.6 583474752.4 501561221.9 610141205.8 546103428.6 294261749.8 247808417.6 299230116.4 240126321.6 275069899 245123930.8 87700094.04 94093800.86 107125905.4 64776488.64 70137824.51 68298184.17 47174442.66 42873809.01 53191843.49 39408015.45 48073667.76 38070745.23 1808643081 447578582.2 211435393.2 217445978.6 184714823 191390774.5 265019986.7 310004134.1 338189031.7 395060894.9 345885101.7 371931078.9 103058984.9 81638044.74 77750290.29 66328731.67 63419546.17 66907729.6 proline M1 7521968.425 8706976.083 8335342.541 7685562.706 8814315.541 7301898.092 29909590.36 25351706.75 34463552.38 23670546.24 26577878.46 24666716.82 1046664.21 945934.87 1148916.807 1078606.715 750518.6879 856520.5679 5224784.151 5021499.712 5284047.366 3116210.447 3927164.677 3484418.053 15315303.5 17653893.45 21680126.43 21788133.3 18510356.98 19636579.08 12382548.11 15293000.53 17912442.09 19905812.99 22157934.24 23273301.41 1432267.886 1088358.793 936101.452 1157831.219 945155.0659 943380.8104 proline M2 105339221.2 127491131 118858084.6 99463823.54 122488161.4 99551958 26067997.41 22719173.04 31239333.83 21128361.1 23683470.67 21169741.58 17833635.28 19246938.16 21781756 16012773.68 14488128.33 15154007.05 3562583.117 3533689.984 3992581.381 2473361.419 3064423.714 2892701.956 27883567.33 47506492.59 64265033.92 69852063.81 60706685.17 62049325.68 12321019.46 14284048.53 15974907.76 17952502.91 19313141.11 20881388.79 239293.6457 197467.9301 212677.7426 142107.5873 157733.0012 159610.4335 proline M3 21292284.53 26222828.23 24637689.81 20361754.5 25995719.89 20547256.28 121327809 101767065.6 138149375.5 94905990.09 109538037.7 99954902.88 0 0 0 0 0 0 21466322.68 21732046 23124238.18 14013186.37 17087087.77 15311641.51 13965278.49 23662534.48 32203912.43 40173755.89 33337450.59 34754685.58 55228417.38 63646975.45 71371113.3 77546989.66 86013710.68 91216723.76 0 0 0 0 0 0 proline M4 29659766.06 35821133.05 34880750.15 26936340.61 35250059.73 27510363.48 234232.7375 0 0 0 0 0 6210650.418 5870505.784 7695059.881 8297084.299 8138485.72 9693793.816 0 0 0 0 0 96946.06781 10384236.89 16582538.74 24309663.13 31415962.27 26911265.59 27043612.96 0 0 0 0 0 0 0 0 0 0 0 0 proline M5 17539597.65 20512958.89 19681949.68 15808418.94 18984654.95 15346048.87 447240218.3 375593041.8 494223440.8 357772342.3 418532218.9 378614689.3 3669872.13 3257100.078 4748298.863 6865134.977 6197785.642 7258798.689 77823651.74 80129783.19 91645201.46 54092625.77 65122507.55 57677812.19 5433031.976 8889767.026 12857983.57 20574846.04 16813933.18 16635465.49 241518296.6 289199442.1 310753842.4 314568452.9 333818771.1 378817111.1 0 0 0 0 0 0 propionyl-carnitine M0 7024162.805 9410502.824 8803758.815 4874343.613 5926997.935 5558636.049 5875046.945 5152450.976 8946030.298 2712278 3690754.631 3108930.99 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4032997.301 4030912.802 5075427.98 3772693.881 3545064.275 3766727.948 1164372.386 1122606.535 1021825.049 743117.9807 745958.5002 738157.3602 propionyl-carnitine M1 174642.9055 114248.6016 229218.5988 98314.73219 184800.081 65108.1103 0 6631.74753 72473.18075 0 28483.20063 184.0444974 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 137807.8255 222536.9577 78489.38816 36549.85574 218663.7249 196335.2834 0 0 0 0 0 0 propionyl-carnitine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 propionyl-carnitine M3 0 0 0 0 0 0 618147.8102 462763.3718 889682.1049 157568.0118 287796.8582 347692.4473 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 997567.1169 1739811.8 1950432.448 972345.0881 1056686.797 1186093.807 0 0 0 0 0 0 propionyl-carnitine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 propionyl-carnitine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 propionyl-carnitine M6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 propionyl-carnitine M7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 propionyl-carnitine M8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 propionyl-carnitine M9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 propionyl-carnitine M10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 riboflavin M0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 553650.1203 689567.5162 716415.1937 515857.2883 545489.9525 593261.69 237101.6872 463525.8381 619402.9046 714505.1682 382039.9924 586132.6284 0 0 0 0 0 0 S-adenosyl-methionine M0 556675.5273 766546.8543 660772.8829 1480754.396 2051337.848 1265338.069 7973375.325 6874356.052 8967054.732 6932708.294 10265548.14 6921158.903 2651531.224 2361557.588 2505678.308 6948302.686 6381313.173 6762953.989 20337195.59 17575155.94 17159617.86 27756174.13 31720584.1 26302495.92 4813851.322 6191144.31 7334088.199 6735213.283 8562753.744 6011068.354 181516629 191693355.4 206390434.5 229552338 210243388.7 247944939.2 5347579.292 5462216.525 4552771.543 6357578.423 7466064.888 6494206.16 S-adenosyl-methionine M1 0 0 0 0 0 0 0 0 0 0 0 19440.44125 0 0 0 0 0 0 0 0 0 0 0 0 91115.54511 0 0 0 0 0 0 0 0 0 0 0 9071830.153 9221526.504 7951520.051 9299615.593 10847937.73 10450356.09 S-adenosyl-methionine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4102176.994 4032445.639 3575842.396 4021031.844 4759413.121 4342828.261 S-adenosyl-methionine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine M4 0 0 0 0 0 0 753189.9061 360356.4766 145575.8906 1205715.838 506544.1509 1001811.171 12739.40133 75019.65137 92520.08034 117176.9228 108008.5636 218272.6497 0 0 0 0 0 0 3573879.375 423389.9947 207861.7508 209757.1969 199601.3446 118789.5111 756291.4648 0 0 446799.8496 0 902744.7065 0 0 0 0 0 0 S-adenosyl-methionine M5 3104436.432 3703430.307 3445516.617 4533952.692 5297962.497 3457302.24 0 0 0 0 0 0 8139062.535 6652279.704 7733704.299 12668162.85 12171294.46 12346763.56 0 0 0 0 0 0 908172.8728 1323158.882 1411235.943 1770664.248 1991402.303 1620698.28 227488.8352 47691.08048 160209.9325 57694.24881 0 108906.5383 0 0 0 0 0 0 S-adenosyl-methionine M6 2182723.606 2267221.507 2343267.484 2128231.778 2648114.069 1672297.631 0 0 0 0 0 0 2972856.683 2514708.93 2816561.301 3991055.033 4026170.848 3800796.868 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine M7 731566.7391 751121.8173 730315.2818 803353.455 772692.5532 548786.6116 0 0 0 0 0 0 1154638.509 685482.9871 958382.4011 1380458.966 1156486.314 1291512.886 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine M8 250968.2526 414659.1222 410554.2843 324329.0622 455684.1466 257431.153 0 0 0 0 0 0 384761.4063 299383.9233 234837.5714 333151.9128 437969.272 398512.0489 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine M9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine M10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine M11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine M12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine M13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine M14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine M15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 sarcosine M0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 29118746.18 34017758.62 30088500.77 26844299.47 26873738.47 29864095.17 6218354.063 5587848.321 5242101.238 2291115.072 2728140.563 2258206.772 sarcosine M1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 sarcosine M2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 sarcosine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 serine M0 17765154.47 15453645.57 15745361.26 17998132.29 16443976.56 42081328.4 41051774.49 29763328.28 20869178.23 34045516.38 37372956.88 31364909.38 4308005.027 3459683.614 4225538.185 3188176.444 4910045.572 3172030.762 8642115.051 7275567.267 6290143.187 5510796.901 4882537.909 5918091.949 43224018.2 27650211.62 24604150.91 22290947.26 19855409.34 21277088.01 49038604.84 50560427.88 54602452.49 49471521.17 52966030.58 48620792.8 9169736.814 9319980.629 7829535.717 8163963.571 9313587.967 7169118.5 serine M1 1585702.723 1709236.086 1626669.16 1634929.463 2068632.072 3029336.688 0 0 24670.10235 0 0 85605.32604 299483.4377 293929.8166 301142.7946 314473.7953 398810.2352 311660.6189 859.31251 0 0 0 82697.9998 0 895354.3779 852158.1787 1016150.251 961126.8968 1028880.965 1003530.422 0 0 0 0 0 0 952884.4393 1066687.238 970206.9314 815323.1202 843056.9416 751055.5914 serine M2 1039660.125 1007824.316 1084450.861 1071079.552 1039846.924 1832385.29 0 0 0 146428.124 156351.3136 61976.66011 190336.1872 221499.4452 165162.2077 82106.98627 189534.985 146886.182 0 107341.9334 0 0 0 0 271664.981 267269.286 492038.0103 209230.0694 339403.1273 395053.1997 521.0392523 0 96630.62492 48055.81936 2830.34302 0 0 0 0 0 0 0 serine M3 2853421.459 2891884.539 2996706.787 2917375.814 2899632.399 5889117.909 0 0 0 0 0 0 1271040.427 1026845.915 1423303.697 679629.1428 807905.2915 659082.3084 0 0 0 0 0 0 726083.8578 964461.7475 1064070.897 902532.4936 809548.2017 1023227.998 0 0 0 0 0 0 0 0 0 0 0 0 threonine M0 309482562.8 301082791.3 315754661.7 273588004.1 294203600.6 439220242.6 426432781.1 351138744.4 316023191.4 341455805.3 384823664.4 315508477.6 57002287.28 48231930.44 54860397 38317609.17 56450583.97 41424479.52 74488366.61 65769793.18 59606458.18 50618661.61 41329573.73 53752055.35 767862066.9 361743225.1 341349797.1 336884879.6 435133645 328471335.8 423417909.5 471807329.1 466419730.8 467489787.5 467244843.8 432030664.6 95018437.2 85760382.09 75326939.17 77615913.25 77851377.18 71818524.79 threonine M1 733552.8101 334962.5295 406858.22 150820.7035 0 1202342.505 0 538057.0273 276370.108 609435.3026 230711.4947 136987.5331 49813.45921 0 0 0 0 0 0 0 0 0 148880.633 0 0 490052.2746 79962.01558 304752.1834 487280.9932 411053.6526 0 0 0 0 0 0 0 0 0 0 0 0 threonine M2 1486564.448 1542329.108 1554165.497 1476953.278 1499232.189 2303785.135 2392611.122 1859380.167 1692591.28 1933581.324 2021215.347 1595647.186 386060.5728 325805.7447 367994.5408 238075.6131 247166.8955 24078.41901 421289.6023 392976.1011 285648.199 306088.8683 237415.0256 254102.3947 3949093.811 1748611.872 1695123.51 1868110.157 2196277.574 1748164.335 2007336.414 1627808.993 919750.2891 1621547.626 1481592.013 1741649.485 490756.651 411388.3862 319428.3977 380837.9818 271799.884 350163.6683 threonine M3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 threonine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 valine M0 695970517.7 700858721 660395688.8 634493436.5 703029416.3 984791714.5 1267456990 888858164.6 671966516 982100317.6 1137751138 967170964.5 68147950.57 38019734.82 52277440.53 43218638.59 89016171.44 45846423.74 113277232.9 90263582.11 61215261.05 76082449.06 52158153.77 77559887.28 414048082.4 187465186.2 117726089.6 135387933.3 114701935.4 105485396.1 414538318.9 485098195.1 442204906.5 494226068.7 460355344 444840349.3 58797559.6 62047585.57 47362230.15 69269812.03 73816040.89 58498339.4 valine M1 2983794.703 2692852.888 2702904.609 2460723.091 3087512.48 3584926.606 3291904.235 2662608.215 2034025.284 3494431.77 4467243.502 4359651.983 27591.78477 0 30004.31621 0 498060.0586 0 210921.616 432351.6178 1770598.385 2819669.388 115522.0507 388284.5684 334258.1524 446837.6169 584886.8926 5570361.668 0 2885525.519 8310424.785 0 0 0 2124138.636 0 97912.79456 127748.2761 86472.05654 247466.2084 137524.2519 143959.4575 valine M2 1760454.391 2114023.573 2370866.049 2061372.498 4138082.475 3699326.852 4172414.904 2777306.306 2258122.482 3141228.56 3730932.105 4823002.708 187988.7506 109394.7924 194698.4649 1746918.165 244718.6112 138018.0908 426305.1387 288254.1344 72574.79718 127355.6992 165809.6874 278803.3157 1191020.665 530352.665 334888.1956 147703.7611 201726.9603 1678861.503 0 0 0 0 0 0 163315.9198 196002.8599 146344.7945 208766.8393 240131.3267 164293.3102 valine M3 76543.45794 152023.2715 75965.03998 96781.64496 81782.20831 176003.2857 26547.88512 0 7904.614255 0 0 0 0 0 0 0 22810.27139 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 valine M4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 valine M5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantitated m/z RT (min) Pubchem_Id 1-methylnicotinamide M0 137.072 11.27 457 1-methylnicotinamide M1 138.075355 11.27 457 1-methylnicotinamide M2 139.07871 11.27 457 1-methylnicotinamide M3 140.082065 11.27 457 1-methylnicotinamide M4 141.08542 11.27 457 1-methylnicotinamide M5 142.088775 11.27 457 1-methylnicotinamide M6 143.09213 11.27 457 1-methylnicotinamide M7 144.095485 11.27 457 3-hydroxy-trimethyllysine M0 205.155 10.1 439460 3-hydroxy-trimethyllysine M1 206.158355 10.1 439460 3-hydroxy-trimethyllysine M2 207.16171 10.1 439460 3-hydroxy-trimethyllysine M3 208.165065 10.1 439460 3-hydroxy-trimethyllysine M4 209.16842 10.1 439460 3-hydroxy-trimethyllysine M5 210.171775 10.1 439460 3-hydroxy-trimethyllysine M6 211.17513 10.1 439460 3-hydroxy-trimethyllysine M7 212.178485 10.1 439460 3-hydroxy-trimethyllysine M8 213.18184 10.1 439460 3-hydroxy-trimethyllysine M9 214.185195 10.1 439460 5'-methylthioadenosine M0 298.097 2.5 439176 5'-methylthioadenosine M1 299.100355 2.5 439176 5'-methylthioadenosine M2 308.13055 2.5 439176 5'-methylthioadenosine M3 309.133905 2.5 439176 5'-methylthioadenosine M4 300.10371 2.5 439176 5'-methylthioadenosine M5 301.107065 2.5 439176 5'-methylthioadenosine M6 302.11042 2.5 439176 5'-methylthioadenosine M7 303.113775 2.5 439176 5'-methylthioadenosine M8 304.11713 2.5 439176 5'-methylthioadenosine M9 305.120485 2.5 439176 5'-methylthioadenosine M10 306.12384 2.5 439176 5'-methylthioadenosine M11 307.127195 2.5 439176 acetyl-carnitine M0 204.123 4.7 7045767 acetyl-carnitine M1 205.126355 4.7 7045767 acetyl-carnitine M2 206.12971 4.7 7045767 acetyl-carnitine M3 207.133065 4.7 7045767 acetyl-carnitine M4 208.13642 4.7 7045767 acetyl-carnitine M5 209.139775 4.7 7045767 acetyl-carnitine M6 210.14313 4.7 7045767 acetyl-carnitine M7 211.146485 4.7 7045767 acetyl-carnitine M8 212.14984 4.7 7045767 acetyl-carnitine M9 213.153195 4.7 7045767 adenosine M0 268.104 3.55 60961 adenosine M1 269.107355 3.55 60961 adenosine M2 270.11071 3.55 60961 adenosine M3 271.114065 3.55 60961 adenosine M4 272.11742 3.55 60961 adenosine M5 273.120775 3.55 60961 adenosine M6 274.12413 3.55 60961 adenosine M7 275.127485 3.55 60961 adenosine M8 276.13084 3.55 60961 adenosine M9 277.134195 3.55 60961 adenosine M10 278.13755 3.55 60961 alanine M0 439.073905 9 5950 alanine M1 440.07726 9 5950 alanine M2 441.080615 9 5950 alanine M3 442.08397 9 5950 arginine M0 175.119 13.2 6322 arginine M1 176.122355 13.2 6322 arginine M2 177.12571 13.2 6322 arginine M3 178.129065 13.2 6322 arginine M4 179.13242 13.2 6322 arginine M5 180.135775 13.2 6322 arginine M6 181.13913 13.2 6322 asparagine / N-carbamoylsarcosine M0 133.061 7.82 6267 asparagine / N-carbamoylsarcosine M1 134.064355 8.82 6268 asparagine / N-carbamoylsarcosine M2 135.06771 9.82 6269 asparagine / N-carbamoylsarcosine M3 136.071065 10.82 6270 asparagine / N-carbamoylsarcosine M4 137.07442 11.82 6271 betaine M0 118.086 5.05 247 betaine M1 119.089355 5.05 247 betaine M2 120.09271 5.05 247 betaine M3 121.096065 5.05 247 betaine M4 122.09942 5.05 247 betaine M5 123.102775 5.05 247 carnitine M0 162.112 6.45 288 carnitine M1 163.115355 6.45 288 carnitine M2 164.11871 6.45 288 carnitine M3 165.122065 6.45 288 carnitine M4 166.12542 6.45 288 carnitine M5 167.128775 6.45 288 carnitine M6 168.13213 6.45 288 carnitine M7 169.135485 6.45 288 CDP-choline M0 489.115 8.7 13804 CDP-choline M1 490.118355 8.7 13804 CDP-choline M2 491.12171 8.7 13804 CDP-choline M3 492.125065 8.7 13804 CDP-choline M4 493.12842 8.7 13804 CDP-choline M5 494.131775 8.7 13804 CDP-choline M6 495.13513 8.7 13804 CDP-choline M7 496.138485 8.7 13804 CDP-choline M8 497.14184 8.7 13804 CDP-choline M9 498.145195 8.7 13804 CDP-choline M10 499.14855 8.7 13804 CDP-choline M11 500.151905 8.7 13804 CDP-choline M12 501.15526 8.7 13804 CDP-choline M13 502.158615 8.7 13804 CDP-choline M14 503.16197 8.7 13804 choline M0 104.107 9.75 305 choline M1 105.110355 9.75 305 choline M2 106.11371 9.75 305 choline M3 107.117065 9.75 305 choline M4 108.12042 9.75 305 choline M5 109.123775 9.75 305 citrulline M0 176.103 8.45 9750 citrulline M1 177.106355 9.45 9751 citrulline M2 178.10971 10.45 9752 citrulline M3 179.113065 11.45 9753 citrulline M4 180.11642 12.45 9754 citrulline M5 181.119775 13.45 9755 citrulline M6 182.12313 14.45 9756 creatine M0 132.077 7.55 586 creatine M1 133.080355 7.55 586 creatine M2 134.08371 7.55 586 creatine M3 135.087065 7.55 586 creatine M4 136.09042 7.55 586 creatinine M0 114.066 4 588 creatinine M1 115.069355 4 588 creatinine M2 116.07271 4 588 creatinine M3 117.076065 4 588 creatinine M4 118.07942 4 588 cystathionine M0 223.075 9.45 834 cystathionine M1 224.078355 9.45 834 cystathionine M2 225.08171 9.45 834 cystathionine M3 226.085065 9.45 834 cystathionine M4 227.08842 9.45 834 cystathionine M5 228.091775 9.45 834 cystathionine M6 229.09513 9.45 834 cystathionine M7 230.098485 9.45 834 gamma-butyrobetaine M0 146.118 6.5 725 gamma-butyrobetaine M1 147.121355 6.5 725 gamma-butyrobetaine M2 148.12471 6.5 725 gamma-butyrobetaine M3 149.128065 6.5 725 gamma-butyrobetaine M4 150.13142 6.5 725 gamma-butyrobetaine M5 151.134775 6.5 725 gamma-butyrobetaine M6 152.13813 6.5 725 gamma-butyrobetaine M7 153.141485 6.5 725 glycerophosphocholine M0 258.11 7.35 657272 glycerophosphocholine M1 259.113355 7.35 657272 glycerophosphocholine M2 260.11671 7.35 657272 glycerophosphocholine M3 261.120065 7.35 657272 glycerophosphocholine M4 262.12342 7.35 657272 glycerophosphocholine M5 263.126775 7.35 657272 glycerophosphocholine M6 264.13013 7.35 657272 glycerophosphocholine M7 265.133485 7.35 657272 glycerophosphocholine M8 266.13684 7.35 657272 glycine M0 76.039 8.35 750 glycine M1 77.042355 8.35 750 glycine M2 78.04571 8.35 750 kynurenine M0 209.092 4.7 846 kynurenine M1 210.095355 4.7 846 kynurenine M2 211.09871 4.7 846 kynurenine M3 212.102065 4.7 846 kynurenine M4 213.10542 4.7 846 kynurenine M5 214.108775 4.7 846 kynurenine M6 215.11213 4.7 846 kynurenine M7 216.115485 4.7 846 kynurenine M8 217.11884 4.7 846 kynurenine M9 218.122195 4.7 846 kynurenine M10 219.12555 4.7 846 leucine / isoleucine M0 132.102 4.8 6106 leucine / isoleucine M1 133.105355 4.8 6106 leucine / isoleucine M2 134.10871 4.8 6106 leucine / isoleucine M3 135.112065 4.8 6106 leucine / isoleucine M4 136.11542 4.8 6106 leucine / isoleucine M5 137.118775 4.8 6106 leucine / isoleucine M6 138.12213 4.8 6106 lysine M0 147.113 12.66 5962 lysine M1 148.116355 12.66 5962 lysine M2 149.11971 12.66 5962 lysine M3 150.123065 12.66 5962 lysine M4 151.12642 12.66 5962 lysine M5 152.129775 12.66 5962 lysine M6 153.13313 12.66 5962 metformin M0 130.109 12.5 4091 metformin M1 131.112355 12.5 4091 metformin M2 132.11571 12.5 4091 metformin M3 133.119065 12.5 4091 metformin M4 134.12242 12.5 4091 methionine M0 150.058 5.17 6137 methionine M1 151.061355 5.17 6137 methionine M2 152.06471 5.17 6137 methionine M3 153.068065 5.17 6137 methionine M4 154.07142 5.17 6137 methionine M5 155.074775 5.17 6137 methioninesulfoxide M0 166.053 6.57 158980 methioninesulfoxide M1 167.056355 6.57 158980 methioninesulfoxide M2 168.05971 6.57 158980 methioninesulfoxide M3 169.063065 6.57 158980 methioninesulfoxide M4 170.06642 6.57 158980 methioninesulfoxide M5 171.069775 6.57 158980 NAD+ M0 664.116 7.8 5892 NAD+ M1 665.119355 7.8 5892 NAD+ M2 666.12271 7.8 5892 NAD+ M3 667.126065 7.8 5892 NAD+ M4 668.12942 7.8 5892 NAD+ M5 669.132775 7.8 5892 NAD+ M6 670.13613 7.8 5892 NAD+ M7 671.139485 7.8 5892 NAD+ M8 672.14284 7.8 5892 NAD+ M9 673.146195 7.8 5892 NAD+ M10 674.14955 7.8 5892 NAD+ M11 675.152905 7.8 5892 NAD+ M12 676.15626 7.8 5892 NAD+ M13 677.159615 7.8 5892 NAD+ M14 678.16297 7.8 5892 NAD+ M15 679.166325 7.8 5892 NAD+ M16 680.16968 7.8 5892 NAD+ M17 681.173035 7.8 5892 NAD+ M18 682.17639 7.8 5892 NAD+ M19 683.179745 7.8 5892 NAD+ M20 684.1831 7.8 5892 NAD+ M21 685.186455 7.8 5892 NADP+ M0 744.083 10.15 5886 NADP+ M1 745.086355 10.15 5886 NADP+ M2 746.08971 10.15 5886 NADP+ M3 747.093065 10.15 5886 NADP+ M4 748.09642 10.15 5886 NADP+ M5 749.099775 10.15 5886 NADP+ M6 750.10313 10.15 5886 NADP+ M7 751.106485 10.15 5886 NADP+ M8 752.10984 10.15 5886 NADP+ M9 753.113195 10.15 5886 NADP+ M10 754.11655 10.15 5886 NADP+ M11 755.119905 10.15 5886 NADP+ M12 756.12326 10.15 5886 NADP+ M13 757.126615 10.15 5886 NADP+ M14 758.12997 10.15 5886 NADP+ M15 759.133325 10.15 5886 NADP+ M16 760.13668 10.15 5886 NADP+ M17 761.140035 10.15 5886 NADP+ M18 762.14339 10.15 5886 NADP+ M19 763.146745 10.15 5886 NADP+ M20 764.1501 10.15 5886 NADP+ M21 765.153455 10.15 5886 nicotinamide M0 123.055 2.61 936 nicotinamide M1 124.058355 2.61 936 nicotinamide M2 125.06171 2.61 936 nicotinamide M3 126.065065 2.61 936 nicotinamide M4 127.06842 2.61 936 nicotinamide M5 128.071775 2.61 936 nicotinamide M6 129.07513 2.61 936 N-trimethyllysine M0 189.16 11.17 440121 N-trimethyllysine M1 190.163355 11.17 440121 N-trimethyllysine M2 191.16671 11.17 440121 N-trimethyllysine M3 192.170065 11.17 440121 N-trimethyllysine M4 193.17342 11.17 440121 N-trimethyllysine M5 194.176775 11.17 440121 N-trimethyllysine M6 195.18013 11.17 440121 N-trimethyllysine M7 196.183485 11.17 440121 N-trimethyllysine M8 197.18684 11.17 440121 N-trimethyllysine M9 198.190195 11.17 440121 ornithine M0 133.097 11.63 6262 ornithine M1 134.100355 11.63 6262 ornithine M2 135.10371 11.63 6262 ornithine M3 136.107065 11.63 6262 ornithine M4 137.11042 11.63 6262 ornithine M5 138.113775 11.63 6262 phenylalanine M0 166.086 4.25 6140 phenylalanine M1 167.089355 4.25 6140 phenylalanine M2 168.09271 4.25 6140 phenylalanine M3 169.096065 4.25 6140 phenylalanine M4 170.09942 4.25 6140 phenylalanine M5 171.102775 4.25 6140 phenylalanine M6 172.10613 4.25 6140 phenylalanine M7 173.109485 4.25 6140 phenylalanine M8 174.11284 4.25 6140 phenylalanine M9 175.116195 4.25 6140 phosphocholine M0 184.074 8.47 1014 phosphocholine M1 185.077355 8.47 1014 phosphocholine M2 186.08071 8.47 1014 phosphocholine M3 187.084065 8.47 1014 phosphocholine M4 188.08742 8.47 1014 phosphocholine M5 189.090775 8.47 1014 proline M0 116.071 5.95 614 proline M1 117.074355 5.95 614 proline M2 118.07771 5.95 614 proline M3 119.081065 5.95 614 proline M4 120.08442 5.95 614 proline M5 121.087775 5.95 614 propionyl-carnitine M0 218.139 4 107738 propionyl-carnitine M1 219.142355 4 107738 propionyl-carnitine M2 220.14571 4 107738 propionyl-carnitine M3 221.149065 4 107738 propionyl-carnitine M4 222.15242 4 107738 propionyl-carnitine M5 223.155775 4 107738 propionyl-carnitine M6 224.15913 4 107738 propionyl-carnitine M7 225.162485 4 107738 propionyl-carnitine M8 226.16584 4 107738 propionyl-carnitine M9 227.169195 4 107738 propionyl-carnitine M10 228.17255 4 107738 riboflavin M0 377.146 6.5 493570 S-adenosyl-methionine M0 399.145 8.4 34756 S-adenosyl-methionine M1 400.148355 8.4 34756 S-adenosyl-methionine M2 401.15171 8.4 34756 S-adenosyl-methionine M3 402.155065 8.4 34756 S-adenosyl-methionine M4 403.15842 8.4 34756 S-adenosyl-methionine M5 404.161775 8.4 34756 S-adenosyl-methionine M6 405.16513 8.4 34756 S-adenosyl-methionine M7 406.168485 8.4 34756 S-adenosyl-methionine M8 407.17184 8.4 34756 S-adenosyl-methionine M9 408.175195 8.4 34756 S-adenosyl-methionine M10 409.17855 8.4 34756 S-adenosyl-methionine M11 410.181905 8.4 34756 S-adenosyl-methionine M12 411.18526 8.4 34756 S-adenosyl-methionine M13 412.188615 8.4 34756 S-adenosyl-methionine M14 413.19197 8.4 34756 S-adenosyl-methionine M15 414.195325 8.4 34756 sarcosine M0 90.055 8.1 1088 sarcosine M1 91.058355 8.1 1088 sarcosine M2 92.06171 8.1 1088 sarcosine M3 93.065065 8.1 1088 serine M0 106.05 8.32 5951 serine M1 107.053355 8.32 5951 serine M2 108.05671 8.32 5951 serine M3 109.060065 8.32 5951 threonine M0 120.066 7.15 6288 threonine M1 121.069355 7.15 6288 threonine M2 122.07271 7.15 6288 threonine M3 123.076065 7.15 6288 threonine M4 124.07942 7.15 6288 valine M0 118.086 5.75 6287 valine M1 119.089355 5.75 6287 valine M2 120.09271 5.75 6287 valine M3 121.096065 5.75 6287 valine M4 122.09942 5.75 6287 valine M5 123.102775 5.75 6287 METABOLITES_END #END