#METABOLOMICS WORKBENCH RCulpHill_20190813_070049 DATATRACK_ID:1797 STUDY_ID:ST001241 ANALYSIS_ID:AN002061 PROJECT_ID:PR000831 VERSION 1 CREATED_ON August 19, 2019, 8:12 pm #PROJECT PR:PROJECT_TITLE Trisomy 21 activates the kynurenine pathway via increased dosage of interferon PR:PROJECT_TITLE receptors PR:PROJECT_SUMMARY Trisomy 21 (T21) causes Down syndrome (DS), affecting immune and neurological PR:PROJECT_SUMMARY function by unknown mechanisms. We report here a large metabolomics study of PR:PROJECT_SUMMARY plasma and cerebrospinal fluid showing that people with DS produce elevated PR:PROJECT_SUMMARY levels of kynurenine and quinolinic acid, two tryptophan catabolites with potent PR:PROJECT_SUMMARY immunosuppressive and neurotoxic properties, respectively. We demonstrate that PR:PROJECT_SUMMARY immune cells of people with DS overexpress IDO1, the rate-limiting enzyme in the PR:PROJECT_SUMMARY kynurenine pathway (KP) and a known interferon (IFN)-stimulated gene. PR:PROJECT_SUMMARY Furthermore, we show positive correlations among levels of IFN-inducible PR:PROJECT_SUMMARY cytokines and KP dysregulation. Using metabolic tracing assays, we determine PR:PROJECT_SUMMARY that IFN stimulation causes IDO1 overexpression and kynurenine overproduction in PR:PROJECT_SUMMARY cells with T21, dependent on overexpression of IFN receptors encoded on PR:PROJECT_SUMMARY chromosome 21. Finally, we show a mouse model of DS carrying triplication of the PR:PROJECT_SUMMARY IFN receptors exhibits KP dysregulation. Altogether, these results reveal a PR:PROJECT_SUMMARY mechanism by which T21 could drive immunosuppression and neurotoxicity in DS. PR:INSTITUTE University of Colorado Denver PR:LAST_NAME Culp-Hill PR:FIRST_NAME Rachel PR:ADDRESS 12801 E 17th Ave L18-9403D, Aurora, Colorado, 80045, USA PR:EMAIL rachel.hill@cuanschutz.edu PR:PHONE 303-724-5798 #STUDY ST:STUDY_TITLE Global Metabolic Analysis Trisomy 21 - Cohort 3, Plasma ST:STUDY_SUMMARY Global metabolic analysis of plasma from individuals with and without trisomy ST:STUDY_SUMMARY 21. ST:INSTITUTE University of Colorado Denver ST:LAST_NAME Culp-Hill ST:FIRST_NAME Rachel ST:ADDRESS 12801 E 17th Ave L18-9403D, Aurora, Colorado, 80045, USA ST:EMAIL rachel.hill@cuanschutz.edu ST:PHONE 303-724-5798 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 0.5 - 76.5 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-1-9BN7 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-2-3MZX Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-3-4UDC Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-4-8UHC Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-7-6CNN Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-9-5BBH Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-10-3TML Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-11-3UU4 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-13-2AYD Cohort:D21 SUBJECT_SAMPLE_FACTORS - 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nHTP_5neg_T21_1-24-4GUY Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-25-2XUP Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-26-5XRL Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-27-6ZW0 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-28-5RRG Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-29-5RGW Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-30-1FZY Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-31-3JKP Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-32-3WYK Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-33-1NZ1 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-34-0VWZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-35-6EWH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-36-9CVU Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-37-5ZL6 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-38-3LZ7 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-39-1CLB Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-40-0MZ9 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-41-0VFZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-42-1MWV Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-43-2KFA Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-44-1HKK Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-45-7LKJ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-46-4BBH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-48-2MMJ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-49-0PFV Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-50-2CD7 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-53-3MXT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-54-2AVT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-56-6GTA Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-57-4GE0 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-58-6EX8 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-59-1PPQ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-61-8PP5 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-62-8NJ3 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-63-0UYM Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-64-0XRV Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-66-5TRE Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-68-4UEC Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-75-6NMG Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-80-3RCZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-81-5YNB Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-82-3HTP Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-90-5JX6 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-91-6CEC Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-92-4GDZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-96-3KGT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-4-4AHX Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-5-9RZH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-14-2NH4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-15-0FPN Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-17-5TJT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-21-5EY4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-22-1XL6 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-23-9AAT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-24-0NL4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-25-0NB8 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-26-4ZRU Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-27-7LEW Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-28-7WZ3 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-29-5PPX Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-8AUL Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_4-3XNJ Cohort:T21 #COLLECTION CO:COLLECTION_SUMMARY All human subjects in this study were consented according to Colorado Multiple CO:COLLECTION_SUMMARY Institutional Review Board (COMIRB)-approved protocols. Written informed consent CO:COLLECTION_SUMMARY was obtained from parents or guardians of participants under the age of 18, and CO:COLLECTION_SUMMARY assent was obtained from participants over the age of 7 who were cognitively CO:COLLECTION_SUMMARY able to assent. Deidentified plasma samples for Cohort 1 were obtained from the CO:COLLECTION_SUMMARY Translational Nexus Clinical Data Registry and Biobank (University of Colorado CO:COLLECTION_SUMMARY Anschutz Medical Campus, COMIRB 08-1276). Additional plasma and WBC samples were CO:COLLECTION_SUMMARY obtained through the Crnic’s Institute Human Trisome Project (University of CO:COLLECTION_SUMMARY Colorado Anschutz Medical Campus, COMIRB 15-2170, www.trisome.org). Plasma was CO:COLLECTION_SUMMARY collected in Vacutainer tubes (EDTA–purple capped or Lithium heparin–light CO:COLLECTION_SUMMARY green capped) and stored at -80°C. Participant medical history was collected by CO:COLLECTION_SUMMARY the respective biobanks. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For plasma analyses, a volume of 20μL of was extracted in 480μL of ice-cold SP:SAMPLEPREP_SUMMARY methanol:acetonitrile:water (5:3:2). For CSF analyses, a volume of 20μL was SP:SAMPLEPREP_SUMMARY extracted in 180μL and for cell-based experiments, 2 million cells were SP:SAMPLEPREP_SUMMARY extracted in 1mL of the same ice-cold lysis solution. Subsequently, these SP:SAMPLEPREP_SUMMARY solutions were vortexed for 30 minutes at 4°C. Insoluble proteins were pelleted SP:SAMPLEPREP_SUMMARY by centrifugation (10 minutes at 4°C and 12,000 g) and supernatants were SP:SAMPLEPREP_SUMMARY collected and stored at -80°C until analysis. For quantitative analysis of SP:SAMPLEPREP_SUMMARY kynurenine pathway (KP) metabolites, supernatants were spun in a Speedvac until SP:SAMPLEPREP_SUMMARY dry and resuspended in 0.1% formic acid in water as previously described (PMID: SP:SAMPLEPREP_SUMMARY 30213797, 30143553). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UHPLC-MS metabolomics analyses were performed using a Vanquish UHPLC system CH:CHROMATOGRAPHY_SUMMARY coupled online to a Q Exactive mass spectrometer (Thermo Fisher, Bremen, CH:CHROMATOGRAPHY_SUMMARY Germany). 20uL of supernatant was injected for plasma and CSF samples, and 10uL CH:CHROMATOGRAPHY_SUMMARY of supernatant was injected for cell samples. Samples were resolved over a CH:CHROMATOGRAPHY_SUMMARY Kinetex C18 column (2.1x150 mm, 1.7μm; Phenomenex, Torrance, CA, USA) at 45°C CH:CHROMATOGRAPHY_SUMMARY using a 5-minute gradient at 450μL/minute from 5-95% B (A: water/0.1% formic CH:CHROMATOGRAPHY_SUMMARY acid; B: acetonitrile/0.1% formic acid) for positive mode. To monitor possible CH:CHROMATOGRAPHY_SUMMARY technical variability, aliquots of each of the individual samples were combined CH:CHROMATOGRAPHY_SUMMARY to make technical replicates, which were run after every 15 samples. CH:CHROMATOGRAPHY_SUMMARY Additionally, in each experiment, several lysis solution aliquots were run as CH:CHROMATOGRAPHY_SUMMARY blanks for artifact identification. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (150 x 2.1mm, 2.6 um) CH:FLOW_GRADIENT 5-95% B CH:FLOW_RATE 450uL/min CH:COLUMN_TEMPERATURE 45 CH:METHODS_FILENAME 5MMpos_method.pdf CH:SOLVENT_A water, 0.1% formic acid CH:SOLVENT_B acetonitrile, 0.1% formic acid CH:ANALYTICAL_TIME 5min #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME D'Alessandro Lab AN:OPERATOR_NAME Rachel Culp-Hill #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The Q Exactive mass spectrometer (Thermo Fisher Scientific, San Jose, CA, USA) MS:MS_COMMENTS was operated in positive ion mode using electrospray ionization, scanning in MS:MS_COMMENTS Full MS mode (1μscan) from 65 to 975 m/z at 70,000 resolution, with 4 kV spray MS:MS_COMMENTS voltage, 45 sheath gas, 15 auxiliary gas. MS analysis and data elaboration were MS:MS_COMMENTS performed as described74,75. Calibration was performed prior to analysis using MS:MS_COMMENTS the PierceTM Positive Ion Calibration Solution (Thermo Fisher Scientific). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS relative abundance MS_METABOLITE_DATA_START Samples nHTP_5pos_D21_1-1-9BN7 nHTP_5pos_D21_1-2-3MZX nHTP_5pos_D21_1-3-4UDC nHTP_5pos_D21_1-4-8UHC nHTP_5pos_D21_1-7-6CNN nHTP_5pos_D21_1-9-5BBH nHTP_5pos_D21_1-10-3TML nHTP_5pos_D21_1-11-3UU4 nHTP_5pos_D21_1-13-2AYD nHTP_5pos_D21_1-15-0RED nHTP_5pos_D21_1-47-2AMQ nHTP_5pos_D21_1-51-2MT7 nHTP_5pos_D21_1-52-6YZK nHTP_5pos_D21_1-55-5CHY nHTP_5pos_D21_1-60-0YGG nHTP_5pos_D21_1-65-7VN0 nHTP_5pos_D21_1-67-6MX8 nHTP_5pos_D21_1-69-7PTF nHTP_5pos_D21_1-70-6PY4 nHTP_5pos_D21_1-71-6RUQ nHTP_5pos_D21_1-72-4PGJ nHTP_5pos_D21_1-73-1BX5 nHTP_5pos_D21_1-74-7KCK nHTP_5pos_D21_1-76-3XMZ nHTP_5pos_D21_1-77-9AYB nHTP_5pos_D21_1-78-6ULA nHTP_5pos_D21_1-79-4UE4 nHTP_5pos_D21_1-83-2BDX nHTP_5pos_D21_1-84-4UWU nHTP_5pos_D21_1-85-0KM5 nHTP_5pos_D21_1-86-2RHE nHTP_5pos_D21_1-87-8AF8 nHTP_5pos_D21_1-88-0HF9 nHTP_5pos_D21_1-89-7GXD nHTP_5pos_D21_1-93-1NRT nHTP_5pos_D21_1-94-1UJ7 nHTP_5pos_D21_1-95-8GZF nHTP_5pos_D21_2-1-2GGN nHTP_5pos_D21_2-2-5NL0 nHTP_5pos_D21_2-3-5KPV nHTP_5pos_D21_2-6-8XWP nHTP_5pos_D21_2-7-9JX3 nHTP_5pos_D21_2-8-3XHT nHTP_5pos_D21_2-9-8HZ9 nHTP_5pos_D21_2-10-2JAL nHTP_5pos_D21_2-11-4ZCA nHTP_5pos_D21_2-12-6LKL nHTP_5pos_D21_2-13-0CYL nHTP_5pos_D21_2-16-5MH0 nHTP_5pos_D21_2-18-0GGN nHTP_5pos_D21_2-19-4VEE nHTP_5pos_D21_2-20-2YMY nHTP_5pos_D21_1-3CMM nHTP_5pos_D21_3-8FHC nHTP_5pos_T21_1-5-1GY7 nHTP_5pos_T21_1-6-0EE7 nHTP_5pos_T21_1-8-4PMR nHTP_5pos_T21_1-12-4LD9 nHTP_5pos_T21_1-14-4VXW nHTP_5pos_T21_1-16-7KNQ nHTP_5pos_T21_1-17-7EHX nHTP_5pos_T21_1-18-5CHL nHTP_5pos_T21_1-19-5ZWX nHTP_5pos_T21_1-20-5FY5 nHTP_5pos_T21_1-21-6TLT nHTP_5pos_T21_1-22-6DP4 nHTP_5pos_T21_1-23-0YAH nHTP_5pos_T21_1-24-4GUY nHTP_5pos_T21_1-25-2XUP nHTP_5pos_T21_1-26-5XRL nHTP_5pos_T21_1-27-6ZW0 nHTP_5pos_T21_1-28-5RRG nHTP_5pos_T21_1-29-5RGW nHTP_5pos_T21_1-30-1FZY nHTP_5pos_T21_1-31-3JKP nHTP_5pos_T21_1-32-3WYK nHTP_5pos_T21_1-33-1NZ1 nHTP_5pos_T21_1-34-0VWZ nHTP_5pos_T21_1-35-6EWH nHTP_5pos_T21_1-36-9CVU nHTP_5pos_T21_1-37-5ZL6 nHTP_5pos_T21_1-38-3LZ7 nHTP_5pos_T21_1-39-1CLB nHTP_5pos_T21_1-40-0MZ9 nHTP_5pos_T21_1-41-0VFZ nHTP_5pos_T21_1-42-1MWV nHTP_5pos_T21_1-43-2KFA nHTP_5pos_T21_1-44-1HKK nHTP_5pos_T21_1-45-7LKJ nHTP_5pos_T21_1-46-4BBH nHTP_5pos_T21_1-48-2MMJ nHTP_5pos_T21_1-49-0PFV nHTP_5pos_T21_1-50-2CD7 nHTP_5pos_T21_1-53-3MXT nHTP_5pos_T21_1-54-2AVT nHTP_5pos_T21_1-56-6GTA nHTP_5pos_T21_1-57-4GE0 nHTP_5pos_T21_1-58-6EX8 nHTP_5pos_T21_1-59-1PPQ nHTP_5pos_T21_1-61-8PP5 nHTP_5pos_T21_1-62-8NJ3 nHTP_5pos_T21_1-63-0UYM nHTP_5pos_T21_1-64-0XRV nHTP_5pos_T21_1-66-5TRE nHTP_5pos_T21_1-68-4UEC nHTP_5pos_T21_1-75-6NMG nHTP_5pos_T21_1-80-3RCZ nHTP_5pos_T21_1-81-5YNB nHTP_5pos_T21_1-82-3HTP nHTP_5pos_T21_1-90-5JX6 nHTP_5pos_T21_1-91-6CEC nHTP_5pos_T21_1-92-4GDZ nHTP_5pos_T21_1-96-3KGT nHTP_5pos_T21_2-4-4AHX nHTP_5pos_T21_2-5-9RZH nHTP_5pos_T21_2-14-2NH4 nHTP_5pos_T21_2-15-0FPN nHTP_5pos_T21_2-17-5TJT nHTP_5pos_T21_2-21-5EY4 nHTP_5pos_T21_2-22-1XL6 nHTP_5pos_T21_2-23-9AAT nHTP_5pos_T21_2-24-0NL4 nHTP_5pos_T21_2-25-0NB8 nHTP_5pos_T21_2-26-4ZRU nHTP_5pos_T21_2-27-7LEW nHTP_5pos_T21_2-28-7WZ3 nHTP_5pos_T21_2-29-5PPX nHTP_5pos_T21_2-8AUL nHTP_5pos_T21_4-3XNJ Factors Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 L-alanine 24569760.00 21693860.00 16212700.00 20020450.00 18176060.00 18797020.00 16874350.00 22906720.00 17819340.00 21888560.00 19967270.00 25924910.00 20492260.00 34374830.00 25159090.00 19865630.00 41221410.00 25780390.00 17945250.00 18471510.00 25508760.00 14676000.00 12267950.00 18776710.00 23763870.00 19239300.00 24177810.00 26295970.00 26248120.00 17325420.00 10749070.00 24705380.00 15770980.00 16514300.00 28670430.00 16548050.00 20249910.00 21276700.00 14602010.00 20951680.00 24499920.00 15970410.00 23366490.00 22818850.00 18755910.00 26545800.00 12510440.00 18355090.00 19644220.00 26706370.00 17727510.00 17219490.00 28864950.00 24801110.00 17291260.00 16414360.00 17015610.00 16006860.00 20821570.00 16933300.00 22223410.00 18236360.00 23690380.00 15517720.00 24687330.00 13647520.00 18414320.00 16981690.00 19535440.00 22954450.00 23633120.00 21708270.00 24395460.00 23137450.00 19766830.00 17677260.00 29029120.00 18113010.00 19785770.00 22854340.00 25797660.00 24467680.00 14084970.00 25993830.00 18960230.00 14801720.00 23594140.00 23279060.00 22311300.00 20777860.00 22373850.00 22074930.00 14338070.00 18603830.00 20708960.00 27143680.00 16755010.00 21475070.00 24057790.00 40378960.00 17067050.00 21393320.00 25770540.00 17714880.00 19419190.00 26449930.00 19277070.00 22003350.00 11339340.00 16728030.00 18921160.00 22247610.00 21432640.00 20608120.00 19324980.00 19549950.00 24721370.00 12453610.00 16756580.00 21547440.00 18023470.00 17928270.00 24304780.00 28283460.00 25398790.00 21153210.00 19965870.00 21299540.00 20343190.00 L-arginine 2662748.00 2162933.00 1662926.00 1780660.00 1508271.00 2894895.00 2208357.00 2916467.00 1611365.00 2898184.00 469731.90 2093388.00 2241265.00 4934422.00 1966422.00 1995892.00 3291751.00 2251361.00 1369769.00 972787.80 2565724.00 2320134.00 1829840.00 2486032.00 1967234.00 1067902.00 1618806.00 1376978.00 2690934.00 603318.80 1009099.00 1925595.00 1794153.00 1887616.00 1907182.00 1422617.00 1392583.00 2131153.00 1455316.00 759348.50 1387153.00 803165.20 1116636.00 2250967.00 1587422.00 1577350.00 1967398.00 1687754.00 1698822.00 1169807.00 1247106.00 1732543.00 1408574.00 801846.80 2081382.00 1375959.00 1368150.00 1346207.00 1282245.00 2529496.00 1624692.00 1471424.00 2118917.00 1739171.00 1182756.00 909371.00 1339166.00 1613049.00 1030458.00 1502522.00 2447053.00 868033.30 1610345.00 2159468.00 1930643.00 1040353.00 2089534.00 1190903.00 816088.00 1038931.00 1295662.00 2901100.00 1441014.00 705344.20 399466.70 1271102.00 2074261.00 2025247.00 1605623.00 1072259.00 707353.70 1040505.00 1270647.00 1101399.00 1948217.00 3266166.00 1320793.00 1815722.00 3533039.00 2015896.00 1380868.00 1154087.00 1588035.00 1423611.00 2747788.00 1731245.00 958127.60 1464388.00 822336.20 1377831.00 2027128.00 3030772.00 1247686.00 1528199.00 1185775.00 2185308.00 1376560.00 1046607.00 1452328.00 1213778.00 1248588.00 2113475.00 2063968.00 890780.90 709562.20 903177.70 2446377.00 1781818.00 1555491.00 L-asparagine 743512.30 736695.20 374184.30 725575.30 474017.00 572732.00 552649.80 733785.90 361037.60 545720.40 595726.20 726714.20 939477.20 1203498.00 1053057.00 485988.70 1026856.00 847686.20 542265.90 431368.90 743168.70 441968.40 631643.60 550276.40 519281.50 493220.50 574723.80 516425.00 924899.30 557577.60 551339.70 755357.20 471864.30 535466.10 690188.40 591257.90 643004.50 542740.70 484575.10 604269.60 641373.60 464930.20 590806.70 580904.60 390457.80 753034.10 518595.60 500976.50 567759.00 504310.50 468861.80 570554.40 671544.00 764214.20 638122.90 537268.60 458902.00 478635.40 534841.10 607896.00 713814.50 470352.60 475584.00 584962.70 453271.20 453865.40 396799.40 698534.40 518543.20 528567.60 671813.40 413430.50 510443.30 483502.60 532944.30 483322.00 851304.30 606416.20 728430.10 693623.80 883352.20 799503.20 678433.10 689555.20 504799.00 557532.80 693724.30 728665.80 614026.30 521206.50 454017.00 595304.30 532246.80 457260.30 836964.20 834775.00 344700.70 529052.40 818828.90 596086.80 524145.40 538576.20 680713.10 474101.20 492736.20 710638.60 645068.30 789507.90 473094.50 544018.90 598730.20 661773.20 475563.40 830485.00 706188.50 558311.90 534277.30 472192.30 536719.30 612527.20 515468.10 594871.70 567902.80 678904.40 701815.20 666561.50 715354.00 705831.20 661689.50 L-aspartate 422497.60 372814.20 358211.80 1096505.00 481015.60 344883.80 389484.80 335751.90 466240.00 372304.70 307493.20 186682.70 418593.50 331773.30 316667.20 378546.00 379322.90 480485.30 453194.80 452599.50 420128.90 458267.90 561320.10 315678.00 501266.80 460724.70 707332.30 535067.20 559720.20 621383.60 588018.90 660078.70 755232.50 593253.20 721144.90 747557.80 661101.80 707775.80 744665.30 733812.60 552141.80 518232.60 1019343.00 706727.00 946424.70 645187.40 689440.70 674622.90 536818.90 646286.60 414027.40 340286.60 560311.20 341456.00 401516.40 438738.60 385167.90 370807.80 402296.50 407430.60 450453.50 358942.60 306343.00 365834.80 398022.30 364726.00 464659.20 364990.00 538104.80 549888.20 601279.60 759454.90 531242.40 715543.20 386604.20 660210.80 407148.20 260926.60 241591.50 209183.80 205684.40 370485.10 280043.60 205917.90 306634.10 274248.20 221058.40 308819.40 454667.50 352674.80 271641.20 463806.10 222773.00 372554.10 459843.10 266073.80 382426.10 483589.00 330424.10 425053.10 352887.90 355548.10 374618.10 426854.80 365036.50 491821.00 502146.00 360872.60 381396.80 519804.70 675693.90 860115.40 604621.20 896798.90 826791.80 688766.70 577411.70 765504.50 385107.40 542618.60 397873.50 526880.40 423690.00 249306.60 270271.40 334168.20 412996.10 264513.70 302125.30 L-cysteine 331164.30 435265.80 210177.70 378993.10 163861.00 565575.80 551902.40 932057.60 451162.30 710163.80 583319.80 509179.90 418933.00 548909.10 743249.10 760199.20 1170970.00 1073340.00 711663.70 755657.00 630533.00 626451.90 700224.30 1006785.00 621780.80 586752.70 645113.20 785836.20 712464.10 1016264.00 408183.80 458043.20 237194.70 393099.50 406801.40 344724.30 408218.40 387379.10 387271.10 396455.10 621750.20 428421.80 384267.30 417675.90 292225.00 820578.80 545226.50 1152502.00 750080.80 1329323.00 1343310.00 1299009.00 1914798.00 1722370.00 308152.90 264496.20 610348.30 932338.20 601051.40 591535.80 762792.70 559689.60 710051.80 671996.80 716591.90 451748.90 524014.40 331509.40 553341.30 624734.00 737682.10 616050.40 397134.30 423909.20 546241.10 997935.50 1069870.00 895280.30 911291.30 925853.90 744463.20 367070.40 306940.20 454372.80 410754.60 353380.90 553563.20 318927.50 641139.80 760279.50 493717.10 602443.50 504122.10 389638.00 651092.20 699291.60 538841.80 718001.20 826830.00 1369724.00 770966.50 807585.80 964868.80 794446.60 1052736.00 1075526.00 629994.80 615491.60 435314.50 299562.10 396484.50 299170.30 334533.70 432332.20 467076.80 2180513.00 1301670.00 997859.70 1019151.00 1428666.00 1391635.00 1169573.00 1306157.00 1509731.00 1736009.00 957680.50 1406763.00 1669364.00 1476264.00 L-glutamate 528650.10 1185108.00 470803.10 568311.90 1696936.00 1689854.00 414545.80 947182.90 394766.70 1659075.00 747798.30 377590.40 1731160.00 1976544.00 2641266.00 1408070.00 839530.20 893451.00 573820.30 517789.10 1491706.00 468855.50 1265874.00 570378.00 1167892.00 1026344.00 1243537.00 2265018.00 1070241.00 681258.80 695371.80 846786.40 794814.60 911984.60 756787.50 841837.10 842712.30 777859.90 1133397.00 803504.80 640637.40 1459410.00 502811.50 898883.90 413606.60 508767.90 583502.90 1146630.00 344257.50 1088593.00 1017829.00 605430.60 2176733.00 1320109.00 430488.40 907112.80 421043.40 1938158.00 504818.20 617654.10 592657.30 447057.80 464678.80 515206.10 573287.90 405184.00 759467.30 632225.50 630372.10 1028847.00 687477.50 1777328.00 455146.40 786072.90 778594.50 2048798.00 636834.40 905040.30 995558.50 1366417.00 476587.20 2354783.00 650456.10 1272212.00 783696.20 483220.30 1064079.00 925544.50 395974.40 1365532.00 726090.80 572694.40 335963.90 1548025.00 3368731.00 1275843.00 2188731.00 2061900.00 629851.40 911275.90 776757.50 1530317.00 1299010.00 736291.30 797520.10 1017732.00 743595.20 543755.60 437228.10 743540.80 770315.80 883425.80 404251.00 1053133.00 1197346.00 877145.50 659841.40 580780.10 628824.80 600192.70 1491220.00 447503.20 781725.70 1472393.00 574330.40 476953.30 517966.00 518535.30 497283.30 L-glutamine 12714740.00 8791929.00 8851133.00 10683790.00 7826262.00 10422800.00 9624680.00 11525020.00 9536195.00 9482301.00 10405980.00 11892450.00 7648914.00 12612260.00 10926030.00 9626893.00 13267410.00 10826930.00 10017570.00 8687953.00 13236220.00 9776500.00 8797963.00 11020100.00 10572340.00 9737821.00 8900573.00 9978775.00 10634370.00 8978295.00 9475693.00 9169281.00 9306323.00 12359480.00 9596711.00 11242210.00 11302660.00 8563513.00 8537759.00 9318319.00 10821320.00 8708101.00 11543230.00 9535787.00 7122068.00 12149340.00 12709280.00 7745648.00 9078604.00 10161640.00 9391476.00 11884820.00 14787500.00 12814600.00 8447624.00 8776986.00 9978613.00 8254134.00 11688390.00 10574810.00 12111420.00 10103130.00 9306828.00 11401430.00 10730800.00 8196552.00 7746988.00 8924897.00 10281600.00 11838190.00 10852520.00 10573710.00 11811400.00 9627033.00 10836610.00 9513473.00 15650060.00 11871070.00 11652280.00 10344920.00 12665930.00 11517070.00 11347080.00 11598790.00 11409260.00 10224930.00 11489110.00 7748392.00 11866890.00 10608690.00 10347090.00 8841287.00 12641060.00 11444750.00 10467350.00 13288250.00 8670421.00 6584148.00 12059740.00 15872060.00 10300460.00 9943865.00 12840970.00 10440300.00 9152970.00 12178240.00 10505550.00 10210640.00 7825574.00 6930216.00 12129500.00 10890500.00 10096430.00 12270120.00 12854630.00 16625520.00 10870500.00 8220538.00 8436888.00 12817740.00 11789880.00 10265720.00 11608000.00 11161000.00 13135850.00 10468150.00 13233580.00 12421580.00 12756210.00 glycine 2952904.00 1890544.00 2441283.00 2157301.00 1855224.00 1690965.00 3065257.00 2188805.00 2525301.00 2832161.00 2185181.00 2869657.00 1524610.00 2821205.00 2059814.00 2920253.00 2705456.00 1727498.00 2089378.00 1576496.00 3164633.00 2020925.00 1922692.00 2412327.00 2573778.00 2076557.00 1701526.00 1526569.00 1801042.00 1571422.00 1672216.00 2734677.00 1538700.00 3160201.00 2132859.00 1950337.00 2128281.00 2214217.00 1303523.00 1818173.00 2700303.00 2242245.00 3322076.00 1426163.00 2293394.00 2213250.00 2010652.00 2620820.00 1967486.00 2370623.00 2315082.00 2624470.00 2042174.00 2269535.00 1498763.00 1615680.00 3076898.00 1854802.00 1776254.00 1654904.00 2476024.00 2065101.00 2056786.00 2477574.00 2153607.00 1646798.00 1451699.00 2058445.00 1981657.00 2755099.00 1932528.00 1542831.00 2635855.00 1658170.00 1770426.00 1840249.00 3747106.00 1646338.00 2134351.00 1511509.00 2435632.00 1899167.00 2121374.00 2194028.00 1917100.00 1990607.00 1907336.00 2318457.00 2693879.00 1691442.00 2664177.00 2601639.00 3208740.00 1569390.00 2127177.00 3709273.00 1704414.00 1094353.00 2114478.00 2898771.00 2273103.00 1647009.00 1804715.00 2117214.00 2002667.00 2224953.00 2792087.00 1652454.00 1179903.00 1521121.00 2721626.00 2782516.00 3253683.00 1729620.00 2216291.00 2354487.00 2412510.00 1386755.00 1748202.00 2890862.00 3040543.00 1789399.00 2881519.00 2342328.00 2401146.00 2852160.00 1886662.00 2532360.00 1977651.00 L-histidine 3061447.00 3348181.00 2481579.00 2896556.00 2355270.00 2635780.00 2991483.00 2639954.00 1537648.00 2929863.00 2351762.00 3144746.00 2503973.00 3136496.00 2883194.00 2011647.00 3032960.00 3472815.00 2986006.00 2207536.00 3064099.00 2719922.00 2014757.00 2766045.00 3208393.00 3703303.00 2544029.00 2503318.00 3198478.00 2159803.00 2698005.00 2896078.00 1991654.00 2799587.00 3284915.00 2859918.00 3499929.00 3162281.00 2080680.00 2635838.00 2769307.00 2390398.00 2211926.00 3530198.00 2531948.00 4821276.00 3141971.00 3108633.00 3478873.00 2468738.00 2222398.00 2566019.00 3247908.00 2207526.00 2152676.00 2564297.00 1858244.00 1862457.00 2502631.00 2792173.00 2352631.00 2372323.00 2896652.00 2151408.00 2545380.00 3007030.00 2011441.00 3063486.00 2265886.00 1943723.00 2444507.00 1972475.00 2213176.00 3097991.00 2202161.00 3116631.00 3674451.00 2889418.00 3360909.00 3164307.00 3007280.00 2945905.00 3071780.00 3313058.00 2612175.00 2052478.00 2903228.00 2713655.00 2500635.00 2724060.00 2127827.00 2565819.00 2908472.00 3028147.00 2891389.00 2244452.00 2605075.00 2612692.00 3925517.00 2525560.00 2679402.00 2675612.00 2758847.00 3040663.00 1889237.00 2472367.00 3655866.00 3552767.00 1978039.00 3082078.00 3078856.00 3137096.00 2210239.00 2963977.00 2047809.00 2620388.00 2637187.00 2399516.00 2792349.00 3425009.00 3293295.00 2642184.00 2745071.00 2998916.00 2690042.00 3104250.00 3410523.00 2739981.00 2764677.00 L-leucine/isoleucine 179050000.00 184870700.00 87118550.00 151157700.00 94943460.00 195579600.00 130531300.00 266474200.00 76773720.00 131593000.00 125334400.00 178543300.00 113542600.00 318602300.00 158603900.00 115115600.00 195952300.00 217821500.00 118582200.00 81577940.00 163820100.00 135818400.00 184884700.00 88852180.00 153780000.00 96960090.00 296217600.00 160347100.00 296188800.00 146496100.00 142945900.00 143527400.00 104286400.00 109381200.00 198163900.00 113831200.00 175029200.00 127494700.00 103195500.00 104276400.00 132884100.00 132364000.00 89722630.00 123739800.00 100015500.00 163209800.00 113974400.00 136138100.00 127721300.00 152255600.00 84973960.00 136696700.00 160073900.00 248552200.00 160307100.00 191822300.00 124403800.00 175777500.00 181692800.00 146647800.00 148435200.00 109907600.00 148555000.00 165321000.00 142632100.00 95093500.00 133866100.00 104982400.00 150807900.00 146797200.00 140946600.00 191328200.00 86567350.00 176487100.00 187583900.00 140978100.00 206685600.00 138369600.00 235290400.00 163170300.00 156602900.00 319464400.00 172601600.00 237459500.00 153991200.00 119790700.00 308877400.00 141270000.00 106726900.00 209922300.00 100663100.00 182939700.00 90605100.00 233645100.00 203896400.00 231822100.00 153258800.00 196284200.00 172137100.00 172298200.00 143664400.00 233983200.00 229098900.00 143413800.00 168474400.00 155530600.00 184582000.00 147310300.00 68760700.00 82800550.00 174533600.00 270586700.00 204157900.00 261049700.00 160668600.00 110357000.00 165482400.00 133855800.00 114533300.00 173439200.00 148358300.00 116978800.00 211092800.00 195653300.00 194543400.00 149527900.00 203956200.00 217506800.00 94396700.00 L-lysine 16521160.00 20062540.00 8974705.00 9091020.00 11432000.00 14271560.00 11169810.00 13658620.00 7279386.00 12507240.00 12494330.00 13467480.00 11350040.00 21463180.00 16214390.00 9842166.00 12701040.00 14216290.00 8771768.00 7239930.00 8974360.00 8122072.00 11843920.00 10897710.00 13436780.00 9331511.00 14083760.00 13145860.00 17261610.00 8565652.00 9594067.00 11074860.00 7002452.00 10764100.00 12904800.00 8884665.00 15183780.00 9166709.00 9627448.00 10670880.00 9985465.00 8649046.00 8140218.00 11144270.00 10561060.00 16069780.00 9720576.00 11044360.00 16157850.00 10046880.00 8647619.00 9072803.00 12015820.00 17124870.00 16815510.00 11948130.00 12273390.00 13507400.00 12850240.00 13681670.00 12796520.00 11082590.00 14460170.00 13175810.00 12660820.00 10841490.00 8113276.00 10430700.00 9911785.00 9443461.00 15938480.00 11401160.00 8385080.00 15330730.00 10104180.00 11085220.00 14296740.00 13932740.00 15501780.00 13674550.00 13851690.00 18651870.00 13675470.00 18544810.00 10088790.00 10501930.00 19262020.00 13502860.00 13111960.00 8942141.00 12471410.00 10180430.00 13973620.00 11634400.00 14541560.00 15373940.00 13629420.00 16818050.00 18255410.00 11597070.00 11197220.00 16321540.00 12954640.00 9885769.00 12358960.00 10382450.00 15069470.00 17307790.00 7303544.00 12870720.00 18508460.00 21499640.00 10877240.00 12515590.00 13350030.00 10493040.00 8821027.00 12063180.00 14247160.00 15890630.00 11251220.00 12271730.00 16834490.00 21623840.00 12323820.00 14547850.00 16749860.00 16278200.00 11612780.00 L-methionine 13920670.00 12482860.00 6082024.00 11974160.00 5971466.00 10489320.00 7979750.00 16019300.00 5317568.00 7885486.00 8698977.00 11963000.00 7433834.00 24347310.00 7829926.00 7918042.00 14296170.00 13847740.00 7349372.00 5854978.00 10946620.00 7317214.00 10379680.00 8996329.00 9570473.00 8443329.00 9049512.00 8542409.00 19127620.00 6912770.00 7462130.00 9573220.00 6844062.00 8851153.00 9944369.00 7809470.00 18019910.00 13990790.00 6055170.00 6398502.00 9123604.00 6973916.00 6313724.00 8342196.00 7171302.00 12068380.00 7491900.00 7038386.00 6791698.00 7211424.00 5531348.00 7353714.00 10016110.00 11446420.00 10079930.00 8787672.00 7624356.00 7399098.00 8166510.00 5417420.00 8254022.00 6498832.00 7155636.00 7526192.00 6745298.00 6167572.00 6061162.00 8190708.00 5765446.00 8286554.00 8363268.00 7700326.00 5126174.00 8106196.00 9211813.00 5042782.00 11956840.00 8103626.00 10999520.00 9403537.00 11249380.00 15936310.00 8375258.00 14187580.00 7930944.00 8362820.00 14368710.00 7797976.00 8474110.00 9506485.00 5096434.00 8253046.00 7101110.00 10391310.00 12724670.00 16417880.00 7321148.00 9131535.00 12053030.00 10033030.00 6836834.00 9134428.00 11379280.00 8260838.00 9451709.00 8547681.00 9241413.00 8296232.00 4922244.00 7258558.00 10935530.00 12712300.00 9713031.00 13047160.00 8694122.00 7696268.00 8055110.00 6309476.00 6240896.00 9394200.00 8760925.00 7423580.00 10704140.00 10364920.00 7987736.00 10477230.00 12124480.00 14584310.00 6917852.00 L-phenylalanine 24485210.00 27625440.00 18381570.00 20299210.00 19655220.00 33301470.00 22749460.00 36532900.00 15760990.00 25890630.00 23600800.00 33439480.00 26575820.00 52061630.00 30783470.00 19224320.00 35619990.00 32233560.00 33416180.00 19791700.00 24385950.00 18346040.00 26595980.00 21820150.00 27409550.00 24360490.00 43436020.00 33218230.00 46956190.00 20375860.00 26177570.00 25546970.00 20725290.00 23064450.00 28917710.00 21397340.00 26949680.00 19977210.00 22784670.00 19974570.00 23210490.00 19095450.00 19734130.00 20676630.00 18327180.00 34620130.00 21685360.00 23760660.00 26732270.00 26923850.00 17171270.00 24194190.00 26761810.00 35782100.00 23701780.00 22632170.00 19637680.00 28886170.00 27694500.00 23369770.00 24900620.00 24605840.00 28899490.00 24146970.00 24156210.00 19018370.00 16344000.00 18228980.00 19249510.00 28801910.00 27941690.00 27830710.00 21624980.00 25602960.00 31285630.00 15699380.00 34223920.00 27198210.00 36040510.00 32606820.00 31802110.00 36440280.00 29379100.00 31903030.00 26362360.00 25565940.00 38514160.00 14678040.00 25125830.00 33454290.00 20711820.00 30361130.00 20058850.00 32519220.00 31255870.00 35957040.00 26254150.00 22728110.00 27625740.00 27529710.00 25990460.00 21375910.00 33055970.00 25936820.00 23105580.00 28746560.00 29029430.00 23920010.00 13093360.00 21408170.00 28794170.00 32041540.00 25654450.00 31998550.00 22838400.00 20333720.00 20290300.00 24657900.00 19904680.00 27027060.00 25254500.00 22971950.00 23119540.00 32360890.00 15758680.00 22582180.00 31952170.00 37794700.00 19336190.00 L-proline 132194400.00 99477610.00 83987420.00 97512740.00 104097600.00 111190100.00 87106780.00 94919680.00 81425310.00 99321830.00 83665210.00 91057880.00 67499290.00 191363300.00 86746170.00 70111080.00 69152090.00 111343200.00 46928210.00 53973770.00 99295960.00 58960110.00 70397460.00 68507980.00 91638040.00 53237960.00 96572790.00 102417600.00 146632600.00 64909790.00 51269250.00 95322710.00 56686480.00 71861680.00 84140440.00 65608380.00 76523380.00 120606700.00 63835230.00 114380800.00 76387560.00 105088700.00 78788010.00 78312480.00 61343440.00 97463040.00 83152360.00 91966630.00 68999600.00 67803580.00 75332090.00 78203400.00 107304200.00 115015600.00 102919100.00 137217400.00 69472230.00 132724100.00 90389500.00 56047110.00 85876520.00 95544930.00 94310260.00 53319560.00 98030100.00 45376980.00 71870840.00 79058710.00 68603550.00 98596840.00 94638810.00 114864100.00 69019210.00 105530200.00 96629380.00 71947050.00 184368900.00 118340200.00 107826200.00 98297220.00 80094460.00 167435300.00 58338350.00 84462350.00 76032420.00 52073800.00 116962800.00 136313200.00 74569960.00 91514780.00 83387270.00 97579530.00 100208400.00 94084130.00 94017050.00 117692700.00 106924400.00 92172520.00 107304800.00 87812380.00 64170510.00 139575800.00 131267800.00 53273920.00 80429400.00 115768800.00 72605530.00 111867100.00 63059360.00 59404790.00 76167630.00 132502500.00 105000200.00 124941900.00 109364100.00 84236190.00 80777090.00 41043090.00 59854190.00 73816070.00 84209100.00 67470250.00 142715500.00 82532650.00 127538300.00 118216000.00 65092800.00 123878900.00 60812180.00 L-serine 1287205.00 860153.70 682964.20 792691.90 502950.60 632950.80 697426.80 554478.30 733529.20 793701.90 587515.20 1085460.00 987008.30 1605541.00 949231.10 883296.80 980428.50 748292.80 651332.70 623482.00 747035.10 590161.20 746162.10 777834.50 462191.10 693205.70 545132.40 639111.80 855854.90 591738.90 635678.40 788534.80 550045.20 709481.90 670676.40 634908.10 600474.00 610488.80 599247.70 760882.60 1101277.00 525613.20 649781.80 587258.90 574196.30 760828.20 544708.10 829601.50 630278.80 568848.40 652946.90 787471.60 727069.80 682546.40 551190.80 420276.70 594916.80 496236.00 415002.70 693024.30 651674.20 476580.60 513243.70 820816.30 446274.50 668635.50 356742.80 414987.40 348126.50 464900.40 354257.00 338086.40 370569.80 321830.50 401223.90 827802.70 1054329.00 428461.30 451968.80 660492.40 680151.60 961257.00 667904.00 723129.20 718876.80 679005.80 536248.30 514602.50 885977.00 619264.30 460845.80 483466.30 483300.70 558867.60 588418.30 921813.20 431043.10 578981.70 936188.80 674786.00 545384.20 615907.30 648246.10 481142.50 489608.10 503417.80 852852.70 493767.20 364147.80 467037.60 571090.60 644728.10 497868.40 811915.60 486483.10 1002847.00 518033.10 405232.00 520403.60 730783.60 903536.90 478808.40 593765.90 772368.40 688528.70 702171.40 921648.70 1048030.00 874813.60 L-threonine 6430442.00 5864252.00 2854762.00 3921319.00 2193553.00 3383910.00 2297581.00 3666958.00 2348269.00 3586311.00 2941155.00 4322305.00 4488432.00 7334276.00 4789300.00 4252587.00 6308524.00 4898800.00 2608961.00 2675414.00 5182368.00 2507304.00 3176002.00 4040125.00 3698888.00 2632977.00 3233071.00 2565256.00 5168842.00 2342456.00 2296695.00 4211160.00 2710861.00 3442044.00 3996713.00 2944542.00 3264147.00 2925360.00 3121534.00 2548543.00 4064583.00 3717381.00 2981175.00 3083302.00 3596626.00 4757153.00 2565959.00 3449080.00 3139747.00 2980122.00 2341098.00 2492205.00 3604721.00 4580484.00 3091282.00 2217388.00 3365064.00 3376515.00 3397793.00 3199712.00 3123709.00 2954441.00 2986410.00 2894550.00 3254782.00 2226250.00 2390556.00 3063376.00 2835770.00 3370895.00 3310002.00 2533768.00 2846655.00 3003833.00 3560653.00 2583961.00 4644682.00 3272757.00 3783511.00 2899771.00 3938337.00 4964270.00 2927017.00 5125753.00 2980225.00 2862762.00 5020658.00 2401794.00 4582094.00 3602238.00 2145914.00 2602283.00 3000266.00 2887546.00 4186037.00 5060502.00 2516105.00 3322191.00 4370246.00 3213034.00 2494994.00 2650623.00 3179295.00 2977897.00 2812103.00 3869019.00 2997800.00 3404989.00 2281644.00 3151377.00 3698637.00 5186304.00 4076094.00 4641440.00 4087671.00 3636229.00 2910741.00 3119514.00 3080932.00 3629882.00 3759760.00 2519907.00 3026197.00 3873895.00 4964930.00 6095042.00 3970705.00 5020978.00 4123625.00 L-tryptophan 70433640.00 114303000.00 42584900.00 51914640.00 77002210.00 85392140.00 68893370.00 71251480.00 33535730.00 69113000.00 82712740.00 90051190.00 87707700.00 120979500.00 91404420.00 55780880.00 113266400.00 102912800.00 107921800.00 45534280.00 81000940.00 81388660.00 97511270.00 56186430.00 122112200.00 129696900.00 103845800.00 132408100.00 145603700.00 85856380.00 62666670.00 74165660.00 57700880.00 92284710.00 88836150.00 83417260.00 96297020.00 75243220.00 82724790.00 59484160.00 76776030.00 91202870.00 71738520.00 66202520.00 43387410.00 95163110.00 61833740.00 76427660.00 110385900.00 67595380.00 59695880.00 88447800.00 96231420.00 105631500.00 57327300.00 61161270.00 64449740.00 92804950.00 80911840.00 56846740.00 80639470.00 45886710.00 60883400.00 83698230.00 60906140.00 50929880.00 49663800.00 44410000.00 71088240.00 46877860.00 74098230.00 67894420.00 57866680.00 75652670.00 68753700.00 43641640.00 73958760.00 52777220.00 85523460.00 82494680.00 100219100.00 91088070.00 81259590.00 115189400.00 82732810.00 64927040.00 116291900.00 54478220.00 89672740.00 85243420.00 98936520.00 67267020.00 71373590.00 88344220.00 85873110.00 61233640.00 99551260.00 92077700.00 63048530.00 81379430.00 67910420.00 79241350.00 93491940.00 76558910.00 97662050.00 88266380.00 110871300.00 79082830.00 69734350.00 40738480.00 151974900.00 180841500.00 75258470.00 87150210.00 57048520.00 86228580.00 109750200.00 68245280.00 85332220.00 79743430.00 96178660.00 64741860.00 111733100.00 90555650.00 69251750.00 67305800.00 109123600.00 89480940.00 53443310.00 L-tyrosine 13147180.00 14689680.00 7769546.00 9533523.00 8994514.00 14976400.00 8203538.00 14262480.00 6095306.00 11420320.00 7749710.00 11937870.00 10621430.00 18750480.00 14972880.00 5011288.00 14215460.00 11363790.00 7969698.00 7526254.00 10649700.00 5646134.00 7884884.00 9908897.00 8068076.00 7498922.00 17349840.00 12967550.00 23050450.00 8069948.00 8071604.00 10513160.00 7586968.00 6337642.00 9641421.00 6043278.00 8045646.00 9137337.00 6085890.00 6816154.00 7967808.00 5816934.00 8435777.00 8544919.00 10055760.00 14002080.00 6726902.00 6885830.00 6454682.00 9140327.00 5009000.00 6273230.00 9878405.00 9656769.00 10032300.00 10511960.00 4915920.00 11263320.00 9448485.00 8595507.00 7508466.00 6416850.00 7728496.00 6431726.00 8011174.00 6147206.00 8785072.00 6243262.00 4978920.00 9752423.00 12295180.00 8965759.00 5779438.00 9171553.00 11337020.00 4144523.00 9449631.00 10962670.00 10455620.00 10291780.00 9798417.00 15334260.00 8448269.00 10798860.00 9668909.00 7157064.00 11766940.00 6444466.00 6894048.00 9276717.00 5966784.00 8468503.00 7433056.00 11674070.00 9154271.00 7860690.00 9776164.00 5538278.00 10456940.00 8321810.00 8887640.00 8788304.00 10484980.00 6212434.00 7538578.00 10716180.00 9221919.00 7313412.00 3806329.00 4320814.00 7080666.00 12447260.00 7690288.00 12442520.00 7347162.00 8326792.00 6799692.00 5116698.00 4352322.00 6050564.00 7375668.00 7302116.00 9570100.00 8141844.00 7503006.00 10304350.00 9406301.00 14892410.00 7423358.00 L-valine 171356400.00 178121200.00 110267600.00 163016000.00 115160900.00 168829900.00 116409100.00 207611100.00 87457700.00 141373800.00 136068500.00 145279900.00 122834300.00 251337900.00 177374700.00 92961670.00 168840800.00 158516400.00 132165800.00 87943720.00 152254300.00 122704400.00 150309200.00 85938870.00 144181500.00 104781000.00 225801700.00 169226900.00 203355600.00 138487300.00 144326400.00 133406200.00 111931100.00 114887500.00 168024700.00 121110200.00 177111300.00 135178800.00 104104000.00 129606700.00 152619900.00 152132100.00 108264500.00 119955700.00 120522900.00 155651600.00 104176300.00 162259500.00 112136900.00 161942800.00 101033800.00 123963900.00 151565800.00 181579300.00 132819100.00 161888900.00 139302300.00 157428800.00 171649600.00 142757600.00 155126900.00 129923500.00 180256200.00 135807400.00 165379400.00 94538570.00 139416300.00 107189700.00 125890000.00 136938000.00 143673300.00 172410000.00 110534200.00 154274800.00 154586200.00 146462400.00 173289600.00 135052000.00 179023900.00 146120800.00 138682400.00 222916700.00 153415300.00 241955100.00 141808500.00 112511900.00 198406800.00 138437300.00 111714400.00 190886600.00 130166600.00 152100300.00 123347300.00 220397400.00 169882400.00 144848000.00 150972800.00 153995400.00 153489600.00 140153500.00 140580700.00 178818200.00 167608300.00 118511500.00 140685300.00 150220200.00 184260900.00 145697200.00 74669380.00 99780030.00 156737300.00 196550500.00 203287900.00 205682900.00 151900300.00 114788700.00 177433300.00 116247600.00 102773400.00 154079000.00 140986900.00 126646800.00 165618800.00 152846700.00 137400900.00 145594000.00 175049400.00 220739200.00 101928300.00 L-cystine 186554.20 248650.90 191077.70 228890.50 200016.90 202405.70 190366.00 347762.00 270428.90 277203.60 214019.90 313673.60 146069.00 161447.90 224617.80 161165.40 260013.70 192082.20 206598.80 285912.80 276687.00 103172.00 275150.80 236276.10 262062.20 72313.62 377465.50 229189.40 154132.30 140609.40 120150.20 251569.60 152823.00 159723.00 308575.60 280961.90 214772.00 193305.40 355356.00 235126.00 320370.90 313817.70 266700.10 307406.40 190312.10 307351.60 233627.50 223874.30 202914.60 279601.00 174674.30 238585.10 165060.00 180114.60 346202.80 297968.50 270171.60 466625.20 304553.60 160508.80 238548.20 327855.60 388965.60 165884.90 467966.50 199637.20 344859.50 279498.30 169006.30 310941.80 315852.20 285901.50 416584.60 244755.40 260568.40 2542222.00 320085.50 270766.80 250878.20 311310.90 192686.70 425256.50 339949.20 458730.80 256386.60 170346.90 216830.20 272000.90 286413.20 342370.90 353302.00 339317.90 342809.10 214050.50 368597.50 136425.40 273002.90 290415.80 241357.50 441568.70 166041.60 183624.60 285552.20 171031.80 231225.90 350056.70 241392.90 290490.30 137134.70 588106.60 138559.00 413657.80 283578.60 164471.30 670901.20 177731.80 128305.30 263773.60 239691.30 293075.30 258662.50 230026.90 247091.20 223477.20 175634.50 147207.10 224155.70 192350.30 211312.10 Uracil 502380.10 573199.90 720956.40 619179.20 660129.20 773692.50 673303.00 368032.20 457874.00 564212.20 730291.80 872432.90 606988.30 522819.20 777967.50 818569.20 543460.90 826488.20 786340.50 661264.40 755708.80 420239.40 604071.20 697243.90 666957.40 1026605.00 617196.80 1027210.00 648340.00 531735.80 702511.10 393784.70 385925.40 695152.80 611308.20 714161.60 482546.20 648762.20 624539.90 806792.00 611909.70 839728.50 547856.10 764209.10 361005.90 785706.80 599861.80 823832.40 1091904.00 1060159.00 563780.70 506344.00 1107162.00 322162.80 735523.80 362316.50 632302.50 789024.20 785407.80 609158.20 511011.40 431178.90 869022.80 683890.90 792176.20 382441.30 586422.60 585577.20 458340.90 705656.40 577827.90 737173.20 361591.70 434575.10 613307.50 486550.70 954884.00 458044.20 612134.70 789124.30 494258.20 713938.60 1273738.00 669687.00 370639.50 591603.20 617569.10 518100.10 904422.20 722624.70 536039.70 713221.80 823986.30 663676.30 590466.30 685803.60 825172.40 1013153.00 607912.10 685913.50 990502.30 663958.90 1028786.00 660634.80 783048.30 777622.40 773946.20 791874.20 451571.70 536290.20 600254.00 824623.50 734368.20 715348.70 750142.20 661749.70 725774.50 723165.00 638161.00 902221.20 482735.80 460056.80 1037641.00 668453.40 671157.20 522269.80 433325.90 1004060.00 583744.20 IDP 116269.30 189309.50 74524.21 68376.62 109376.10 112518.60 91904.50 110497.30 75618.55 112580.10 251268.30 174043.00 135332.20 200532.10 182861.90 201391.40 214378.50 154147.80 169226.80 86980.82 180477.10 155899.30 175932.20 214804.30 153795.30 178144.90 138927.70 202827.50 172003.10 133250.00 127385.60 83765.70 88700.98 198787.20 175232.30 92235.94 176883.20 83420.22 201865.50 174668.40 222399.80 177632.00 165040.20 122910.20 79976.84 192675.60 186140.90 224675.80 166974.10 213508.10 170523.10 239640.80 167669.70 167029.40 114631.50 89445.75 163976.80 125764.90 220762.60 190827.40 206640.80 140981.40 204151.10 182178.70 144578.70 127268.90 53994.70 105924.10 251506.00 107666.80 160461.40 204394.80 232167.60 181929.60 160123.90 164220.80 228930.50 140280.90 140419.60 182900.60 227990.90 161951.00 203575.70 211502.80 160522.60 267388.70 175222.40 150418.60 201568.00 190515.40 202731.20 227412.30 157618.30 195340.00 192442.30 179691.40 198985.40 112585.00 173189.40 170008.10 284267.50 235396.20 170691.60 210461.10 151515.20 239161.20 230255.30 164144.30 106120.00 190894.40 145922.30 170132.50 265721.70 205193.30 219470.90 255281.30 165462.40 199258.40 193860.90 209303.00 210321.10 196084.80 180276.70 203261.80 211208.40 179991.10 248023.50 261988.40 182805.80 Hypoxanthine 546846.10 424308.10 203421.60 363201.90 637028.20 570184.20 391110.20 367200.80 208894.40 465722.90 524920.30 779151.40 812576.70 657001.90 485198.10 464105.20 414614.90 759709.40 588944.70 743098.40 885286.70 327911.50 661755.30 495150.70 477191.40 562492.90 958089.30 770742.90 701631.80 234507.80 535764.00 391882.60 185264.80 444421.80 360603.50 591481.80 1244275.00 384901.20 809359.10 181016.30 231436.20 517410.10 300340.00 479053.20 924391.00 199350.50 194798.00 655205.10 552322.60 705631.80 707879.80 319902.50 633292.10 491074.30 318952.20 318476.80 302745.20 539110.10 222847.70 332321.90 288283.60 167090.30 278904.70 536221.30 684647.30 295005.50 249174.40 213134.60 155814.00 525727.20 417248.00 371224.70 411588.90 357325.50 679890.70 650716.40 195851.00 651271.40 246569.80 176943.00 801174.00 1281954.00 271389.50 258099.00 221792.00 226555.80 310487.00 198016.60 354268.10 853254.70 412958.20 742110.70 441057.40 408463.50 314766.10 648628.90 241432.90 989970.50 233697.50 559061.50 278230.10 364323.90 317013.30 630894.10 278847.90 494548.80 205150.10 296082.40 536264.70 583991.60 325435.20 459666.30 224052.80 660515.80 748308.60 628245.80 151563.40 640226.90 530518.00 911263.70 993457.10 240594.50 365461.10 321897.80 175947.30 174611.80 452912.90 217065.20 278781.20 Xanthine 616574.20 1091348.00 755639.70 510743.30 823782.80 673543.70 782965.00 803235.70 524746.10 781086.90 969972.80 1028370.00 820280.90 987374.40 1014978.00 955820.90 740089.40 716358.00 1075375.00 578927.10 732968.80 878203.60 751723.10 820073.70 917619.30 881401.00 1138324.00 1035807.00 915564.50 752165.80 792109.30 634580.80 643368.60 1105392.00 667537.20 1065920.00 1066300.00 680225.30 693280.20 741562.70 1173254.00 500264.50 631370.20 858506.80 494222.60 732760.30 772414.20 724547.80 1195934.00 783343.00 922485.90 1054819.00 914551.40 862807.40 783167.20 583473.30 807928.20 687248.70 754666.80 674746.30 850924.20 567236.00 885161.20 897695.70 738065.10 802377.10 465173.10 791696.20 586153.20 656574.60 568122.50 948316.30 866682.40 849049.30 820662.90 755097.00 778119.60 621659.60 985916.20 766663.60 888524.20 903341.80 788290.70 898615.90 628579.10 653618.80 910411.20 801939.70 1032080.00 777874.60 735763.90 717362.30 1137927.00 1070750.00 703053.30 937022.40 1008067.00 829884.30 785161.40 811154.20 1072018.00 835681.70 846482.30 680845.80 1003909.00 833964.90 1271886.00 1011765.00 831375.20 1101086.00 909420.80 793230.70 938533.60 748570.40 881122.00 1173858.00 1191976.00 805209.20 739576.00 903406.60 994814.00 763623.80 1053646.00 1093655.00 794740.70 794853.20 980272.90 1068801.00 891350.00 Allantoate 778631.90 818519.50 597230.40 883234.20 587084.10 593896.40 497547.40 610555.20 335209.00 917175.80 830148.20 803802.40 547711.30 693295.10 893244.60 291883.30 583492.20 530835.90 460676.30 527567.10 654601.90 443921.70 726835.30 355935.20 530165.20 429373.80 713625.90 721077.70 675047.90 569053.90 439561.90 662889.20 316215.80 370108.20 544548.80 542411.80 898882.30 507658.40 445616.60 1025440.00 600591.10 823847.00 618277.60 428548.20 538693.70 902530.30 557581.60 775822.20 412642.70 605473.20 447504.90 434293.40 443085.90 585910.60 600397.80 533904.20 559586.60 615720.20 396543.80 539627.40 296751.50 559217.30 536066.90 503362.10 522551.70 433901.50 370104.20 280905.90 525685.70 474123.80 655563.80 449276.00 402009.30 600685.20 363792.30 506763.70 874213.30 818337.60 1004540.00 1008000.00 611929.80 818864.00 696971.70 1120430.00 656422.90 605287.30 666761.20 608691.60 641473.30 477314.50 677692.80 668259.60 268289.40 700661.80 842312.50 543488.70 666097.20 465564.00 782575.80 514357.10 293069.10 833085.80 698547.80 448635.10 364756.30 528935.50 562978.50 452102.60 201506.40 584561.40 549488.20 821195.20 416080.00 381941.20 495086.00 638753.80 547757.10 277788.50 376867.10 712619.20 793519.30 631395.00 741126.10 1398734.00 899675.10 1131296.00 546309.20 1118863.00 686942.50 5-Hydroxyisourate 914585.90 610715.10 624434.10 892731.20 489116.30 680783.90 652001.80 785024.00 720833.90 698333.40 689342.90 557817.90 464933.40 756872.00 481361.00 524244.80 809546.10 602681.90 618801.80 460379.20 891486.70 576941.80 614978.80 535864.80 634963.10 560276.80 614178.70 486799.30 698997.10 510693.10 551038.10 625714.10 553313.60 607270.60 726724.30 711489.90 621886.60 575997.00 457111.00 626621.30 670278.20 566772.20 644242.80 576702.10 636955.70 803231.50 828592.90 505756.90 460167.10 613552.70 500739.20 642671.40 939614.50 861805.20 551024.00 553701.50 594700.80 482208.20 785115.30 607310.30 801001.90 686631.40 688036.50 661363.40 666556.70 501260.10 485384.90 541514.90 644000.20 794679.80 889046.80 800768.50 627477.80 500551.90 745733.90 549421.70 821106.70 756332.50 720523.30 505080.40 546125.40 633586.80 537393.20 744483.40 611325.20 579950.20 818002.10 649277.80 694279.90 681060.20 559121.50 598717.20 766545.80 1034220.00 779391.30 818813.30 620888.50 555415.40 654816.50 1239935.00 550130.40 598914.60 701643.50 529649.40 765185.70 697746.00 628620.90 538273.50 452920.70 424276.40 939612.30 1042407.00 654244.00 1242580.00 626801.80 907016.70 707028.80 688964.30 397292.80 829033.30 741530.20 697381.90 572807.20 631804.20 657408.10 590919.10 721429.80 792194.90 576563.00 2',3'-Cyclic CMP 137731.70 213785.60 175907.60 153707.00 197350.60 164377.20 115397.00 182885.90 160752.00 153888.10 182979.20 203417.30 185621.30 220273.20 267441.30 215160.40 254794.80 224727.30 107521.40 208372.80 209847.50 147169.20 209644.50 169762.80 161434.80 185937.50 167757.70 237747.20 113375.60 190115.20 108543.30 182057.40 229185.70 266234.80 202895.00 236509.00 182461.60 208065.00 276162.30 175837.00 146869.10 165261.10 209591.40 294936.80 228909.10 177486.70 153502.90 265854.20 212547.90 196882.90 189253.20 216988.00 264237.80 193652.20 151483.00 144099.40 225403.60 288093.30 161410.40 140021.30 194127.80 97456.03 157716.80 184457.90 217949.50 137779.50 261633.70 198630.00 171724.00 212251.60 176339.80 192854.80 210095.80 210136.00 274612.80 191099.20 151087.00 135734.60 110905.60 245329.50 133426.00 206853.60 169123.40 161208.20 175398.50 191704.80 163239.10 79639.40 157534.50 162779.90 116769.00 146011.10 212010.50 171232.40 213625.90 168341.50 255705.80 280645.70 94651.71 288069.90 201652.80 142179.90 177587.50 210464.00 206228.10 154270.10 148967.10 257561.70 164541.60 90341.24 229907.30 129861.10 178509.90 225111.90 224625.70 224944.80 201005.30 159624.60 186414.00 177571.40 197413.60 164232.00 248616.30 133197.00 214818.60 142108.90 164163.20 199612.00 200741.70 5-6-Dihydrothymine 5215885.00 2356162.00 5859070.00 9906717.00 4937250.00 3301887.00 3539170.00 13259280.00 5673110.00 2152622.00 17247290.00 4099918.00 3581688.00 1680832.00 3493277.00 2311709.00 7370610.00 13279480.00 3427036.00 4480234.00 7437364.00 11017680.00 9794181.00 2061996.00 10291600.00 2490441.00 3288329.00 15617330.00 2341948.00 9168195.00 5452698.00 9318049.00 6345478.00 4709297.00 7200110.00 6167598.00 12948330.00 9092039.00 10182110.00 4760526.00 7189224.00 14428200.00 3201101.00 2786986.00 2795144.00 2246508.00 7479918.00 2939741.00 2528650.00 1971494.00 3290716.00 19121600.00 9389283.00 5672944.00 5073900.00 4026545.00 3822131.00 17480240.00 11243760.00 4773460.00 4155250.00 23238810.00 23198620.00 3236859.00 12105200.00 2736836.00 9858208.00 6670856.00 2723813.00 17585060.00 6456954.00 32894920.00 11529700.00 5416024.00 8858621.00 4336680.00 18398910.00 15037560.00 6674618.00 14275210.00 5435980.00 10288710.00 16500010.00 9262829.00 7058188.00 9978396.00 20934080.00 18941240.00 9021483.00 10435930.00 7533158.00 3083884.00 18723880.00 10331560.00 9300640.00 4477480.00 12580250.00 2519306.00 11684550.00 11320950.00 4004227.00 18448090.00 17335340.00 4653336.00 5759426.00 3979051.00 4886162.00 7145362.00 5531236.00 14017300.00 18260100.00 12545220.00 1848982.00 2066821.00 11822360.00 2087743.00 8989573.00 3248948.00 3774647.00 11053160.00 19186610.00 4635748.00 17882840.00 8503861.00 9208781.00 6289300.00 4606242.00 5210558.00 5549546.00 Pyridoxamine 5'-phosphate 595952.20 1086761.00 356343.20 624391.60 658423.80 624639.10 583182.30 1017589.00 307259.10 528374.60 782871.60 711525.00 718358.40 1108575.00 717698.80 464602.50 917035.80 678342.20 641035.60 470361.10 699807.50 470082.30 691921.80 527155.90 532354.60 780957.90 657378.90 741877.80 1158872.00 572863.20 619465.90 804986.80 482852.10 447017.20 571304.50 740301.80 611250.90 822261.80 476396.80 481665.60 611363.30 733675.50 509219.10 499444.80 472268.50 603894.20 309865.90 554620.70 581001.80 583113.90 431423.00 616447.60 652133.40 751602.20 399428.20 549439.70 498481.80 618082.70 528267.20 493186.10 653661.00 451845.00 504207.90 443236.50 504432.20 327707.80 398768.60 623398.40 557928.10 533999.80 630516.70 502883.40 250206.40 526223.00 480651.00 251330.80 601643.60 524401.00 671763.80 543438.10 727196.70 543929.10 660034.80 659605.70 532794.60 585497.10 726274.20 405612.50 575237.10 724438.40 614276.60 493797.80 427440.40 637094.80 467337.60 481347.60 530445.30 533857.40 570009.60 303953.70 562162.00 507244.50 590059.20 603741.40 663905.80 535602.00 709811.60 627567.20 589583.40 171298.70 686094.20 898580.80 604437.00 390875.10 418135.30 546689.40 627221.70 440287.60 532264.40 486340.30 702761.40 456920.40 636358.80 549809.50 611788.90 586380.10 719635.00 896952.70 459796.50 5-Oxoproline 4911408.00 3572356.00 3612079.00 4716636.00 3600119.00 3751781.00 3811163.00 4346960.00 3659996.00 3558339.00 3822473.00 4530156.00 2880769.00 4765066.00 4225596.00 3299695.00 4457678.00 3915230.00 3696501.00 3494495.00 4806894.00 3381686.00 3102829.00 3966799.00 3932518.00 3402569.00 3147374.00 4082993.00 4314646.00 3352290.00 3351187.00 3838309.00 3778254.00 4277074.00 3811488.00 5352348.00 4303960.00 3338084.00 3354550.00 3955069.00 3629657.00 3409871.00 4378890.00 3677956.00 3187371.00 3825580.00 4853332.00 2962300.00 3070257.00 3745754.00 3305534.00 4329288.00 4980436.00 4570584.00 3336379.00 3250253.00 3989630.00 3214415.00 4233476.00 3872366.00 3980671.00 3408500.00 4002626.00 3576906.00 3837441.00 3833301.00 2848425.00 3367635.00 4012739.00 4060588.00 3672635.00 3817863.00 4057657.00 3530621.00 3732680.00 3098142.00 5200710.00 4055312.00 3363711.00 3876842.00 4034646.00 4499528.00 4391111.00 4087060.00 4160865.00 4004083.00 3883417.00 2979080.00 4459141.00 3547064.00 3792315.00 2889924.00 4560630.00 4075949.00 4024715.00 4047822.00 3040908.00 2594015.00 4306882.00 5507402.00 3598768.00 3833641.00 4690402.00 3615867.00 2966244.00 4172322.00 2297010.00 3703532.00 2940479.00 2835416.00 4212284.00 3622580.00 3029532.00 4161764.00 5276675.00 5536952.00 3559381.00 2833520.00 3045356.00 4427496.00 4319538.00 4195828.00 4213112.00 3952776.00 4806320.00 3746281.00 4491466.00 4350590.00 5249244.00 Cys-Gly 82049.26 81695.99 71083.12 129234.10 58216.14 107312.00 133682.00 230663.50 129478.10 236510.90 283957.70 119759.40 97272.54 63670.32 198616.60 142318.00 206814.10 227188.20 141452.50 190739.70 235490.80 219902.30 158930.20 244528.80 249063.40 250615.50 194501.40 246790.40 231988.20 207378.80 125776.70 119674.50 94564.79 137418.80 119826.30 130877.60 84132.03 164499.50 63018.18 92219.60 134941.20 130086.90 122427.00 144467.80 106272.90 178580.80 226543.00 200172.00 253076.80 178964.80 262522.00 422539.10 466141.80 528876.20 96855.54 24173.22 164433.20 96649.68 183080.50 164665.70 299534.80 163048.50 158949.20 120783.20 249741.40 111519.00 163383.90 61621.53 115872.60 162937.50 134204.00 124534.30 45501.47 231438.90 167714.40 144208.50 264778.20 157370.90 263011.20 286267.40 218635.50 32886.70 103958.50 119855.30 110254.80 83298.98 144077.50 121172.30 110537.80 198406.00 88752.01 137667.50 143474.00 36286.37 161705.70 194717.40 97264.59 161051.60 180873.30 269573.30 210034.30 153583.30 238189.50 193259.40 180637.40 222640.90 152449.70 133828.20 118011.60 0.00 174311.00 73627.07 81509.84 86040.49 113586.40 337198.50 434518.70 204573.50 177046.20 406330.90 329014.40 329191.90 333736.90 428058.80 420975.80 194822.40 306298.90 467295.30 419141.50 L-Homocysteine 227709.40 703083.00 214239.40 884392.20 294376.30 681130.10 587306.60 242953.40 301962.80 170888.20 347090.50 494171.90 262004.50 323788.20 985190.80 375612.50 374208.00 294742.40 215351.10 202157.70 195888.90 905583.20 342590.00 160921.10 146429.00 182044.50 77918.11 559397.10 608924.00 395835.00 888103.40 467308.80 401230.10 406076.50 361491.80 740998.40 142547.60 190065.10 155747.20 500996.30 843554.10 364135.60 351195.90 404669.10 297811.50 193912.20 209165.40 525481.20 284570.40 367009.20 343379.30 660092.80 321603.00 154276.60 493553.00 159831.70 249812.60 134789.80 188689.70 364158.20 161568.20 213422.40 510797.40 782861.40 136308.70 101073.00 131464.00 205222.10 128246.30 578303.70 304897.10 160089.50 201067.50 92470.96 497813.60 345956.70 1700459.00 228511.00 204516.50 236018.90 145538.30 125514.50 180081.80 178802.30 236759.00 213696.70 143405.40 179263.20 320355.70 404326.30 236961.90 254439.50 151914.90 223711.80 139434.00 262965.50 166852.40 259103.50 212695.60 270583.30 97507.74 322075.10 164257.60 1059736.00 995128.00 184161.60 197277.40 220240.10 150297.90 411583.50 117767.10 262087.00 124453.20 236083.60 259969.20 532187.00 347595.30 269482.80 203861.00 724794.50 612531.50 659359.50 199944.70 238994.70 212726.80 323052.40 209559.80 1450234.00 831307.70 Dimethylglycine 4036775.00 8119772.00 2391528.00 3438983.00 3148875.00 3051390.00 2612192.00 3360745.00 3601904.00 4357482.00 5170740.00 4684180.00 3786963.00 9046236.00 4902272.00 3529300.00 9388743.00 3750307.00 3028566.00 3377600.00 3747069.00 2909478.00 5188958.00 2205806.00 3109741.00 2206515.00 3397241.00 4251108.00 3975578.00 3517992.00 4777650.00 3347009.00 4224338.00 3497263.00 5159824.00 4700494.00 4177257.00 3818400.00 2835083.00 3729953.00 4401740.00 3207437.00 2885154.00 3938529.00 2965631.00 3229985.00 3237699.00 4227364.00 3289787.00 5565031.00 3896304.00 4207458.00 3753434.00 3427648.00 3564731.00 4417690.00 4851516.00 4401162.00 3396809.00 3906471.00 5869088.00 3412326.00 4441022.00 7433994.00 2866102.00 3762658.00 4968830.00 3702651.00 2750560.00 4429104.00 5073440.00 3412315.00 3811596.00 4248200.00 3070105.00 5455852.00 3052874.00 3925365.00 3375032.00 4181505.00 5940496.00 4771800.00 5684546.00 5590120.00 3559203.00 3197720.00 4968840.00 3689701.00 5007854.00 5053494.00 5735232.00 2688723.00 3158895.00 5083148.00 3261331.00 4316282.00 2486999.00 2308796.00 5278067.00 2033289.00 3263505.00 5011606.00 3484901.00 4013919.00 3127172.00 4092000.00 3874139.00 3006960.00 1189620.00 8096812.00 4156670.00 5255728.00 5032462.00 5465892.00 6449232.00 3852054.00 3183415.00 3051245.00 2650388.00 3142696.00 3605841.00 4356852.00 3619352.00 4791715.00 2773563.00 2690261.00 7503552.00 5259310.00 6205348.00 Phosphoserine 589528.50 946896.70 517651.70 451882.90 553884.70 519478.30 661219.50 793043.80 485900.60 756555.50 825522.80 433192.10 653531.50 1197612.00 1012825.00 670461.80 1204906.00 604387.40 1000669.00 538615.60 881232.50 657037.90 744786.50 496960.90 1059870.00 781631.80 1373910.00 1038149.00 1016055.00 1001625.00 908296.00 565475.80 734468.20 928901.80 978680.80 557080.70 1501003.00 775410.90 489362.80 890937.20 1319807.00 803984.40 751661.60 394212.40 557056.40 808560.80 758303.20 852791.20 936699.30 841662.60 623800.80 714217.20 1586884.00 1266940.00 729176.20 667004.40 794864.20 601083.00 778542.20 921974.70 1124259.00 710760.50 819583.70 1077002.00 536131.60 459610.60 698874.80 621968.90 600961.20 668203.60 965658.10 1281923.00 593489.30 853564.80 1103827.00 888576.30 872983.50 673301.30 1510425.00 767770.20 1117345.00 901571.80 725477.80 1380088.00 745474.70 642910.10 1040385.00 1045989.00 962069.30 1296748.00 953064.30 1140198.00 1037984.00 1866770.00 1113211.00 1119031.00 1032946.00 1164142.00 867970.00 708993.60 1613583.00 928767.10 1247346.00 1142828.00 1086898.00 1058290.00 1340664.00 1125506.00 763616.30 1493620.00 1575030.00 1081213.00 974763.50 1659372.00 697890.80 730492.40 1519978.00 870450.50 872957.00 907565.20 1044909.00 664728.20 1109806.00 1291111.00 1108511.00 821548.80 1404873.00 1097951.00 327124.30 Ornithine 4784634.00 5356470.00 3550199.00 4521864.00 3945188.00 3762049.00 2840896.00 3503819.00 2008199.00 4622996.00 4926000.00 4427592.00 3313623.00 4543510.00 6578194.00 2294815.00 3470495.00 2633650.00 2602715.00 2301516.00 3285385.00 2471875.00 4276692.00 2584445.00 4120347.00 2613533.00 5222938.00 4899578.00 4510250.00 3876246.00 2777611.00 3955281.00 1789486.00 2515151.00 3574200.00 3311447.00 5309914.00 3209245.00 2466905.00 5974898.00 4221274.00 3813906.00 3668798.00 2428182.00 2560023.00 5615820.00 3046545.00 4327527.00 3635473.00 3581600.00 3201817.00 3193449.00 3029304.00 5596716.00 4285756.00 2602656.00 3648764.00 3819205.00 2417202.00 2705835.00 2073402.00 3302922.00 3211595.00 3271415.00 3461027.00 2682809.00 1842420.00 1582178.00 2850822.00 2531243.00 3842044.00 2697194.00 2378505.00 3757924.00 1894326.00 2342677.00 5833176.00 4456824.00 5729596.00 5208750.00 3278625.00 6082854.00 3602760.00 7470464.00 3648207.00 3499110.00 5497794.00 3628229.00 4048534.00 2535217.00 5394752.00 3790722.00 1777355.00 4056518.00 5379444.00 3110116.00 4855530.00 2920437.00 3514491.00 2452568.00 2200896.00 6018582.00 4900438.00 2404723.00 2696398.00 3090782.00 4005192.00 3385959.00 1240785.00 3235776.00 4722836.00 5454673.00 2618080.00 2555352.00 3629882.00 4038844.00 3451145.00 1844114.00 2592157.00 4191415.00 4800743.00 3531336.00 4917434.00 8690525.00 5449874.00 6472496.00 3605680.00 6913152.00 4653262.00 L-Citrulline 538846.00 793473.80 621325.10 602746.20 745686.60 762931.20 541327.60 651617.40 625631.80 709453.00 633644.80 395216.80 335732.30 792399.80 513826.10 419775.90 760179.50 398574.90 384072.10 504122.20 700511.60 599383.40 381573.20 415435.80 480223.00 304574.60 653369.80 728417.50 687874.20 567674.90 429600.20 382129.40 421762.80 587356.90 361897.10 402003.00 701257.20 626771.70 508463.60 541576.60 600901.10 718927.80 530553.30 410930.40 474764.30 517584.30 519678.30 802821.80 413434.20 464031.70 609705.60 563158.60 421898.00 702399.90 772962.30 435137.50 835032.90 563110.20 551661.30 973761.70 489133.60 525564.30 516607.80 612352.20 692068.20 355478.20 585858.80 604302.90 631821.20 723491.90 779777.70 644687.80 717387.80 892125.10 491582.50 260893.80 613700.90 1054071.00 767342.20 463109.60 454784.10 786811.00 549369.70 767192.20 503286.80 726158.20 904837.50 468009.10 753635.90 687613.80 403350.00 384229.30 471605.80 637948.90 639308.40 537938.20 639382.70 398716.80 643183.30 264872.40 681260.80 813296.30 653156.00 567143.80 453364.50 847747.80 723529.20 653557.40 311053.00 813550.80 752068.20 730035.20 785969.50 987471.20 631385.60 396466.90 639668.40 500625.20 492387.00 582031.60 720362.10 515053.90 637264.10 518748.50 706225.70 636905.40 857918.80 452778.50 439059.60 Cadaverine 68214.39 64773.80 61127.12 77106.95 39005.41 78797.27 66871.13 98555.71 56570.82 65902.66 29387.91 30680.14 101255.60 49434.48 74303.19 80140.70 144583.30 125376.00 90326.40 110703.50 120698.30 95968.02 108703.40 88948.10 117435.80 122619.40 79902.50 103471.60 62256.81 66410.02 52418.75 58566.18 43413.24 22148.78 60508.10 51621.77 56793.21 40937.49 51513.23 56844.53 65873.71 34345.43 97612.29 32578.34 51868.97 58123.83 50680.09 42318.43 91990.15 53656.21 64350.99 81397.20 91229.19 74882.84 82256.48 61032.24 76601.29 77427.04 64936.44 38102.68 54133.92 35935.00 30036.14 38808.49 34732.72 64732.76 47620.69 29995.60 118241.60 49623.27 61884.02 90738.81 73184.25 73713.71 47810.99 105420.50 65588.40 23659.80 79606.16 17765.08 30911.32 36632.71 50639.77 24642.34 46653.69 66302.73 47714.54 32516.40 97988.38 56171.28 56354.91 127151.10 42243.71 77627.25 89911.23 77481.52 122751.70 58985.61 92291.91 55459.59 92667.44 84555.73 89164.21 130371.60 125594.50 101116.70 141729.50 57229.69 42988.27 73390.46 69707.54 58425.75 46897.31 99929.91 40348.72 61217.72 27761.12 68362.27 156339.40 58946.31 79409.27 78101.73 45917.83 77266.78 52569.68 22408.22 30109.83 23283.45 50510.14 Spermidine 97279.16 134228.90 67642.21 148227.00 83206.76 91694.72 78812.43 108287.80 76839.77 116729.50 108598.20 163869.80 123667.60 137642.80 121592.90 153755.70 214794.90 169580.50 131934.50 124529.90 153440.90 119239.20 125754.50 128604.20 158418.00 243770.60 121856.00 136362.70 96266.90 107763.50 188555.30 159086.60 103570.20 120589.30 157558.00 119946.10 227018.60 102223.10 102905.60 99453.38 137141.00 107323.30 167147.90 95791.94 131929.90 129459.80 166060.00 126281.60 135096.80 132449.80 163840.80 158651.20 134009.50 150047.50 76006.57 117652.40 119714.10 107091.80 119137.80 92424.09 130044.40 91554.90 76995.13 138893.40 101126.40 128823.60 123053.10 71679.12 137513.00 86661.59 163470.60 158984.10 143211.10 166270.70 227799.40 154009.40 151645.90 142816.60 161562.70 113812.60 150027.50 110068.40 153663.00 116670.00 156606.90 138574.30 153480.20 109768.80 141717.50 147363.00 148590.70 189577.90 158940.10 153114.30 288430.00 182254.70 181977.60 212619.90 173324.40 229101.10 137812.90 156134.10 126712.80 223704.40 188625.20 122877.00 148588.50 132016.70 125948.20 188815.90 241376.20 192990.40 130432.90 253390.10 160278.50 208787.80 245107.10 165694.10 137281.00 154433.60 140393.30 131383.00 162504.00 160460.50 101499.50 124046.50 165177.90 136735.20 92951.16 Spermine 12702.66 20629.88 7680.29 17321.96 14008.64 17546.57 13094.61 16772.69 4350.07 12962.29 9599.27 32640.54 25724.44 23240.13 17649.24 27960.36 47434.69 22079.49 13370.25 17615.74 21369.84 7158.96 32928.71 23940.58 51069.47 70503.36 43614.94 26957.66 24910.18 28158.98 37740.62 36934.52 23426.81 31633.01 21159.92 14365.75 49427.38 9548.38 15754.58 22772.25 11530.34 19773.93 23620.92 6966.91 13843.29 30200.52 28017.70 16833.76 42330.22 35515.38 33718.26 20168.61 37736.87 46328.27 7744.53 20618.23 14337.14 15702.55 18074.54 15285.68 27422.40 13476.90 15533.57 42928.34 13183.62 10562.55 12180.63 9664.22 24334.49 12766.81 30784.45 28261.99 37496.81 16183.05 58149.08 40117.42 14178.19 26114.71 31989.44 14794.19 28273.01 29147.66 32146.54 20001.96 48870.45 31563.83 33263.25 24281.08 29705.54 27462.08 23889.02 46448.94 21955.81 37981.90 29844.21 40010.83 41068.98 78179.73 31202.48 40970.82 30882.87 30625.14 51178.73 58402.68 70751.30 25385.31 61600.47 34090.41 24074.85 34501.75 51333.63 27016.81 14975.90 91168.12 19146.57 32470.13 72290.91 39938.07 21595.46 39530.95 36570.45 19047.00 53492.60 22423.66 34159.49 18792.06 25696.73 16877.88 18671.89 Carnosine 0.00 10351.26 8020.94 12552.38 18692.95 5243.71 6251.63 9144.56 0.00 18822.27 24918.48 19753.81 12662.75 12176.41 13357.55 11107.24 31959.42 0.00 5838.30 0.00 40568.88 51228.70 31550.27 4523.76 44229.52 6508.80 20873.80 20133.32 0.00 22086.78 21950.34 21308.70 49735.25 29602.08 27558.59 38226.27 35248.36 16732.65 15032.94 10594.80 31252.64 58188.93 16686.08 22778.14 45336.14 13013.72 18242.17 36537.98 0.00 37923.50 19095.38 14667.28 27321.74 24685.78 16438.27 18219.49 20344.13 25408.57 35615.88 34134.99 29670.20 20526.21 39979.60 5372.67 20600.99 8883.49 58807.75 19317.53 16151.35 7838.45 23611.16 27704.75 20036.04 35834.64 55409.04 39948.52 19269.78 34140.18 45352.80 54450.71 17511.45 27873.07 12414.78 30281.90 16037.78 26532.99 51304.33 11664.22 16704.68 72930.28 171648.40 8951.02 29722.73 28359.85 15923.73 13576.32 53139.49 18750.26 24706.87 18420.21 23094.51 24126.41 26180.04 33542.33 19814.41 73529.49 26928.59 32095.19 11080.00 106116.40 242217.50 18106.62 61946.38 23200.15 30967.38 151502.40 44887.68 25469.21 26739.42 53470.20 0.00 13909.33 31622.93 43164.09 12859.66 32087.84 31145.59 35018.77 5558.73 Creatine 29898710.00 40844660.00 20023650.00 6308186.00 39130720.00 23730110.00 28145910.00 8242202.00 21649900.00 40327680.00 7415674.00 9851112.00 22984500.00 43838380.00 38819550.00 32706290.00 22894400.00 17031440.00 18857660.00 23232990.00 11774910.00 4748042.00 30493020.00 26328170.00 12821350.00 14717620.00 39375570.00 13370740.00 29864640.00 7062238.00 14698860.00 10811990.00 14822740.00 27521630.00 9487480.00 7393608.00 13070340.00 29451260.00 14241560.00 7061772.00 5023230.00 19534180.00 33600140.00 59759680.00 20963320.00 21095130.00 15497650.00 47985410.00 42874310.00 46213730.00 27667040.00 10450960.00 39651080.00 20973790.00 42850070.00 11707640.00 37293100.00 14511050.00 7306266.00 31247460.00 24312840.00 9960955.00 12524640.00 19359830.00 9701059.00 11102500.00 8598124.00 27400340.00 35061180.00 10020040.00 15914810.00 13068710.00 6584956.00 32836060.00 15380020.00 26260270.00 13271340.00 17352010.00 36207200.00 24967430.00 31172870.00 26427460.00 20244210.00 45107680.00 18704660.00 9512120.00 10193790.00 23360770.00 7183122.00 46430230.00 10063850.00 17861860.00 13086440.00 10456800.00 26066580.00 35213080.00 22435070.00 41913440.00 18339200.00 22943050.00 25325220.00 20907840.00 14551460.00 13820590.00 11208160.00 25864000.00 33683470.00 42703840.00 28660490.00 91138280.00 11972440.00 27301310.00 35835600.00 50676240.00 15807030.00 27135530.00 11753010.00 34024420.00 32384140.00 17445390.00 23110360.00 17360940.00 17470060.00 27558080.00 16231230.00 26430230.00 33987370.00 12961060.00 8292460.00 Creatinine 41196700.00 35691850.00 45566160.00 47586510.00 42061680.00 32753820.00 44469160.00 63142700.00 33888120.00 45928340.00 53989730.00 46553140.00 46484890.00 47665100.00 43252320.00 35975200.00 67223830.00 45121100.00 53957100.00 40103860.00 63820960.00 41906410.00 45469470.00 56170520.00 82681920.00 49643070.00 53720800.00 50982240.00 37664520.00 51924010.00 46186590.00 51417110.00 38408080.00 54748020.00 55614860.00 60642680.00 68393270.00 42412760.00 45965320.00 44896370.00 51693670.00 58410890.00 41525280.00 42810450.00 40537320.00 40609750.00 41712390.00 51330270.00 41665060.00 39463220.00 36360660.00 50428890.00 63662400.00 60774040.00 59087540.00 35082330.00 37624110.00 46728320.00 50406020.00 53237520.00 53756880.00 64079410.00 68987700.00 44775280.00 53673020.00 47235630.00 65960590.00 59633270.00 38802960.00 59321120.00 47132520.00 57105920.00 38873870.00 71913760.00 64294480.00 37072200.00 49008470.00 49248740.00 59842450.00 62679250.00 49920810.00 51057060.00 56785150.00 68894830.00 40557880.00 52715320.00 58044780.00 66352280.00 46644220.00 70707990.00 50744870.00 53066570.00 73598820.00 43836780.00 52992600.00 55844740.00 60807380.00 57015000.00 44667750.00 37506900.00 48308940.00 49592040.00 63623530.00 55248920.00 46194730.00 64668660.00 53155190.00 52745400.00 43990270.00 165162500.00 56193940.00 49808160.00 52853230.00 16672820.00 63352990.00 14812020.00 56228250.00 51503760.00 53099020.00 60974200.00 64719930.00 58541840.00 69580550.00 71210300.00 50944000.00 44460190.00 64018240.00 49618480.00 39650850.00 Pantothenol 46831.34 60120.31 41495.50 8056.85 51361.00 33069.91 38494.86 103321.60 18048.79 103603.60 147230.50 50289.06 43772.92 58250.47 82509.97 51651.81 41317.07 48424.33 48003.34 37322.67 50688.92 35971.25 25030.83 7702.97 39657.99 26911.63 71902.91 68771.85 41993.18 64598.89 43393.16 36872.77 35083.83 132124.40 42080.80 34639.27 99762.38 99702.03 55721.09 18682.05 34454.92 61695.59 104620.10 53255.84 35202.04 26245.34 30747.28 165684.40 40541.19 66207.41 77024.38 76691.93 69141.65 100886.80 82185.95 62684.24 186775.10 74760.28 167691.00 57109.80 36453.01 24745.20 30493.82 93623.71 93083.19 39463.18 61149.67 198702.20 238597.80 68647.00 84854.35 238032.80 565150.80 132061.80 87080.46 74197.98 44633.14 48770.61 173987.10 370863.70 139870.70 51501.57 125460.60 82731.48 171662.70 65693.28 156832.10 143169.90 61887.12 75869.88 104434.30 131931.00 100720.30 109000.20 47738.32 106146.80 150211.60 159857.50 41441.05 87235.79 76834.09 54933.82 102723.80 293178.00 211574.70 185238.70 87618.81 281196.10 147276.60 144669.50 231072.70 245890.80 128303.60 146442.00 43885.68 271142.90 223012.70 44848.07 84868.05 65886.19 42277.69 246922.60 56944.16 78354.62 44545.79 95842.85 84838.13 41582.75 24895.28 Taurine 298265.50 401303.10 233438.10 180805.30 232920.10 171177.70 250004.10 233808.50 219417.60 307840.40 280331.10 182327.30 179890.70 250028.60 379374.80 336428.70 119157.90 172565.20 233297.10 130768.10 197674.10 160922.90 107266.10 206329.00 158765.60 204964.30 191413.10 160712.30 214623.60 191253.50 196599.00 324400.60 224238.30 211336.00 173989.00 219796.60 242994.40 215039.70 167102.00 154033.80 204520.70 227986.30 213134.50 251666.70 251128.70 180015.20 212464.20 195399.20 163150.50 232122.70 273953.30 175719.10 149901.60 184697.20 191333.40 258540.40 222708.80 139035.10 245986.60 220251.50 107322.90 221671.20 277925.10 316962.10 258652.80 185602.50 200721.00 98321.40 241444.60 221189.50 156087.50 162065.20 290646.50 173146.90 112571.70 269266.50 159578.80 197040.30 215866.10 299976.20 120993.50 167987.10 145415.40 260627.00 182561.90 261288.30 226778.30 303263.70 217650.80 159643.80 116265.50 265104.00 201729.40 214354.50 299160.20 317545.30 179801.60 208518.80 262260.60 169674.10 246027.40 269724.10 178116.10 239144.10 183476.10 235462.20 256203.20 141322.00 165792.20 477588.40 197635.50 251743.60 237874.50 138603.20 159809.80 234219.90 177319.10 158957.50 250979.00 309952.60 198365.80 180421.50 193190.60 214374.10 182570.30 209638.30 257254.40 243828.60 276157.70 Indole 354409.80 568719.70 213110.30 224395.90 408341.20 389458.80 365747.20 346774.50 155825.30 317152.20 433546.10 488932.70 388045.80 607707.80 506221.10 268350.90 505173.40 432487.40 547401.10 220225.10 409695.00 411609.40 505035.10 317254.70 611803.10 554663.10 542301.50 725799.50 756698.20 389859.70 278283.70 337106.20 255545.30 470167.30 428906.00 479955.20 525596.60 360893.80 419294.10 325113.20 387687.40 519285.80 369351.40 303178.00 188420.20 491553.50 292978.10 344879.60 571390.70 279796.70 270890.00 489532.70 531722.80 594608.80 280604.00 267375.90 296012.90 434822.60 460675.90 299878.60 378619.20 213562.40 336121.80 293509.00 356362.00 243582.80 227544.80 196443.20 354933.60 232490.00 322051.90 363439.00 217583.80 406226.40 334930.60 200282.40 384565.10 213575.20 399614.30 454575.50 503505.50 523344.70 480950.20 572356.50 360776.00 335063.20 553777.40 330551.70 420703.00 432988.20 435753.50 302541.70 360692.70 380259.70 406256.20 255839.10 500865.50 536857.30 316458.00 396711.30 420956.50 382724.50 527579.20 381094.80 495160.40 482433.90 502740.80 473951.20 291064.30 726493.80 795617.80 770334.20 431062.90 442819.10 288947.80 420430.80 512100.80 386265.00 429915.70 385160.20 551982.30 314239.40 589863.00 443914.10 346249.30 365292.00 604181.10 491082.70 299284.90 Indole-3-acetate 906033.00 845944.00 529269.30 225205.10 543079.30 941872.20 620580.10 678413.10 472354.20 533382.00 475608.10 709916.50 684914.60 669951.50 783467.70 564661.20 752694.20 619254.80 1119210.00 535623.60 395054.00 1391415.00 273896.10 866045.60 1532806.00 818188.80 633689.40 1202123.00 470193.90 438785.80 983593.80 547148.50 242573.50 776037.20 580812.40 1200302.00 773963.30 787749.70 217605.40 593725.90 1875786.00 658418.60 743420.20 392301.50 416360.90 670909.80 608158.00 623845.00 523763.20 497854.30 485564.50 846518.70 863781.40 495949.00 456509.10 398970.80 645135.80 1205044.00 421296.00 807249.50 825867.00 1262895.00 903824.10 489059.30 488270.50 491862.00 428859.30 502640.10 361252.90 247292.00 746086.60 812450.40 706604.40 841061.30 767201.80 584417.40 1511502.00 302794.30 1032726.00 555191.10 745905.90 848340.80 518806.50 774579.20 436596.70 594005.70 840109.70 755011.90 422435.50 678322.40 657050.90 694709.20 598641.80 495545.10 1095321.00 954776.80 723814.10 746634.80 653942.20 833236.80 696394.90 786254.80 789587.70 1073432.00 568309.90 835208.30 842971.50 886917.70 357108.30 641018.10 1416914.00 863388.80 2624970.00 1329003.00 1148146.00 422240.70 1314688.00 333654.10 528202.10 504528.30 1048500.00 659618.00 657117.40 749046.90 455682.10 535120.50 758548.20 399569.20 718035.80 Indoxyl 52838.39 80331.30 70983.43 79997.27 70464.09 108146.50 56690.62 46914.93 63082.37 50094.34 66058.50 95802.32 74888.07 38260.01 64045.67 39322.88 80048.13 33295.06 112462.30 65027.17 24971.98 12295.87 55567.78 98538.53 94704.96 148728.20 97396.02 51282.27 49205.21 69272.06 51884.44 74592.61 43992.30 42036.72 98001.38 29495.82 65751.25 36560.16 30207.67 67176.54 59301.29 84654.31 51695.06 94378.04 50946.09 40453.29 29453.51 73758.44 87865.21 62974.08 38900.12 34097.88 143116.20 54838.93 84497.23 107527.20 67965.20 73856.98 23739.19 84851.85 99851.77 50334.53 71721.11 15502.92 10397.06 18754.70 104896.40 51054.48 138640.30 34278.48 32602.81 166523.20 49562.48 87506.22 48224.58 276662.20 73447.91 94413.69 162129.10 153551.40 90773.19 144729.20 37019.75 68214.46 117782.80 98834.77 108385.90 187949.10 67746.30 92457.24 30118.52 159034.00 57968.71 171362.60 91723.65 103191.00 64178.74 58174.30 78388.55 66634.52 64257.52 61976.18 63745.95 117274.80 66673.95 66369.45 157742.30 61419.58 117073.70 414090.30 184363.00 58608.12 75188.62 20521.18 67387.05 21654.75 199707.20 45241.22 101497.90 65398.78 57304.64 74163.79 132850.70 130002.00 81423.05 55441.27 53037.21 26362.57 97588.38 g-Oxalo-crotonate 406354.20 303087.10 128197.20 212548.30 576214.10 504229.00 226990.70 330929.00 125278.20 442408.20 319744.40 712344.40 625469.60 659210.90 479084.60 416349.50 267477.10 558765.00 405781.10 583983.80 707254.10 226433.10 633342.20 352240.50 364742.50 505167.50 745698.50 467624.10 532368.00 160951.70 439494.70 251273.90 100056.30 347025.40 322821.40 354252.10 895228.40 278117.90 532330.10 110057.80 80540.41 507104.80 149480.80 342086.20 479895.40 60398.24 88016.12 539086.30 486418.70 632395.80 653370.10 147540.10 591731.80 448898.10 194295.10 258962.20 222957.20 353759.30 99639.29 164207.20 13895.86 92286.03 98386.27 526385.40 535865.80 200905.90 63469.36 92143.55 82555.32 403773.50 258825.60 240192.70 254610.00 84536.48 437270.80 482626.90 69232.55 512977.20 21815.37 0.00 678142.90 930809.70 103444.90 43366.75 197994.90 7576.66 278947.60 102155.50 254122.60 715720.50 272022.80 538478.20 415508.00 348908.80 147052.90 485636.90 155379.20 863327.20 18307.40 396051.20 191110.20 265942.30 212016.80 466835.50 183231.20 348740.50 164075.50 260752.60 336950.50 390936.20 0.00 194747.00 101868.10 360260.30 434246.90 469639.40 31755.83 431747.80 283977.50 719503.00 764369.50 108107.10 118681.40 0.00 0.00 0.00 342729.30 0.00 202281.90 L-Adrenaline 10270400.00 15751570.00 9691072.00 6210724.00 13733510.00 13809350.00 14332230.00 12082780.00 12284050.00 12921180.00 15655220.00 12589950.00 9376815.00 6242854.00 14243230.00 18268110.00 17498180.00 11784420.00 11209100.00 7854524.00 10133670.00 7145962.00 14564600.00 14463180.00 23350630.00 16676110.00 12593750.00 18533850.00 14107140.00 10868270.00 10019990.00 12000220.00 10604750.00 15077840.00 8600326.00 9195941.00 11704930.00 11450210.00 14900670.00 9464940.00 9252656.00 17827490.00 12291550.00 14048540.00 8068042.00 10983900.00 10642680.00 9562016.00 16287610.00 10511810.00 16212830.00 10083240.00 9250146.00 13843100.00 13289660.00 10971470.00 13820620.00 13410040.00 18598260.00 15619530.00 17606660.00 15090810.00 10818920.00 11814900.00 11441280.00 14528870.00 10391290.00 8480964.00 8727207.00 16030010.00 15682850.00 16400610.00 14498090.00 11736600.00 7758100.00 7501438.00 10674750.00 14364070.00 18292880.00 9497593.00 13000610.00 9234671.00 17620840.00 16469740.00 13979390.00 16250210.00 17319530.00 9376720.00 15165380.00 15839940.00 8652189.00 9023165.00 13095760.00 13754580.00 13702720.00 14816560.00 9431992.00 0.00 8581365.00 5553478.00 3313813.00 12827960.00 15901320.00 8995751.00 13859900.00 10936660.00 12464380.00 10916460.00 14694570.00 14308810.00 23947310.00 13006160.00 15591250.00 16370150.00 13504100.00 18586250.00 13434750.00 10371070.00 11480560.00 13689130.00 16956540.00 13295370.00 12014500.00 17810590.00 11506680.00 11165540.00 11512140.00 13504090.00 11810540.00 N-Methylethanolamine phosphate 13660160.00 11536730.00 6059102.00 17324330.00 11286720.00 8079126.00 8509312.00 11659420.00 11905180.00 10522500.00 7291668.00 12489480.00 10394160.00 13730680.00 10773910.00 9794863.00 9793410.00 7217876.00 11187310.00 7126300.00 13272810.00 10157420.00 9811975.00 7678448.00 16643880.00 16750270.00 7624998.00 19417780.00 7692360.00 8761486.00 15511600.00 12792250.00 9976147.00 11196340.00 9586189.00 12081350.00 19128430.00 15140100.00 5849702.00 14054700.00 17967650.00 12521920.00 9772000.00 11462140.00 11642930.00 13867220.00 10548820.00 11947110.00 8869336.00 8900819.00 13092140.00 8564253.00 8254626.00 9794276.00 8075516.00 7304348.00 13239930.00 9198895.00 14284380.00 10070320.00 14109280.00 12895340.00 16556930.00 8460000.00 10211660.00 10250940.00 8410057.00 5598464.00 11677570.00 9248721.00 11488560.00 7979424.00 9749588.00 8325568.00 10691780.00 7189052.00 10993190.00 8923647.00 10052120.00 6113400.00 9731429.00 12013870.00 12499950.00 11857650.00 8194324.00 14309420.00 12280110.00 5718244.00 11184940.00 9730561.00 8519447.00 7480524.00 12457020.00 12433070.00 16119350.00 9945454.00 11035670.00 7070980.00 10201210.00 7643706.00 6808668.00 9580536.00 9190737.00 10421390.00 14471640.00 7493116.00 8598801.00 7107496.00 4758546.00 4825947.00 16046990.00 16427680.00 8443771.00 15358900.00 13821780.00 18438020.00 15137280.00 7008954.00 4247606.00 13813330.00 9671391.00 9766985.00 12869980.00 9443475.00 6145174.00 10690700.00 8202212.00 17185620.00 9608276.00 Acetylcholine 2325959.00 1896006.00 2336018.00 1799664.00 2383407.00 2380430.00 2453814.00 3667301.00 1869115.00 2500182.00 2560398.00 1720345.00 1930178.00 2702182.00 2247145.00 2408751.00 3540198.00 2278727.00 2223931.00 1774905.00 3594186.00 2618554.00 2022634.00 2610736.00 4363350.00 2743219.00 2255781.00 2375192.00 2447621.00 2513772.00 3102368.00 2328674.00 2940894.00 3014993.00 2324062.00 1817884.00 3221063.00 2765661.00 1856439.00 2818454.00 2872477.00 3064381.00 2525056.00 2597375.00 1676828.00 2472071.00 2946657.00 2427147.00 2177618.00 2086682.00 2179110.00 2464414.00 2753427.00 2909285.00 2183806.00 1860710.00 1916148.00 3060793.00 2569090.00 2762332.00 3184795.00 3457202.00 3842528.00 2560905.00 2947590.00 1907917.00 2427037.00 2959619.00 2284785.00 4056772.00 2935479.00 2143644.00 2817074.00 2862059.00 3743057.00 1224269.00 3133282.00 2570479.00 3209100.00 2333359.00 2739888.00 2284945.00 4061191.00 4307052.00 2516840.00 2707388.00 2946661.00 2672998.00 3489344.00 4081050.00 1767591.00 2144701.00 3278394.00 3313400.00 2784818.00 2905989.00 2284534.00 1840323.00 2994528.00 1665914.00 2606168.00 3026363.00 3006975.00 2442716.00 2074571.00 2946742.00 2635701.00 2420155.00 2398106.00 3052183.00 4233700.00 2592946.00 2419742.00 1335270.00 2606980.00 2105812.00 3222441.00 1970622.00 2371866.00 3169610.00 3771356.00 3810268.00 2992465.00 3916951.00 2612559.00 3333839.00 3408579.00 3147011.00 2416964.00 Choline 29087590.00 35313530.00 29773020.00 22329250.00 32226890.00 38070600.00 29834300.00 33435660.00 30152390.00 29805230.00 30174300.00 32491680.00 36889360.00 45059830.00 36830110.00 39912820.00 33066570.00 33696740.00 33504000.00 22404950.00 30982340.00 21258490.00 16246080.00 24936460.00 21100530.00 28167100.00 25435160.00 32335540.00 29270960.00 27984880.00 32459910.00 25277160.00 26184670.00 38485340.00 27085050.00 28712710.00 27376570.00 39611740.00 26777420.00 22461970.00 37479270.00 30515110.00 22364910.00 32045160.00 19778200.00 33878630.00 21057990.00 35876270.00 30178790.00 25297060.00 28046540.00 29179810.00 29479240.00 23125990.00 37574290.00 28641940.00 34690610.00 30511670.00 24036430.00 30983820.00 29271910.00 26352300.00 37422160.00 25810530.00 31268200.00 33467060.00 35485600.00 35585970.00 28584240.00 30148900.00 33047490.00 24253100.00 30552890.00 23477490.00 23762150.00 26208060.00 27310050.00 26586810.00 33460540.00 23560420.00 30175100.00 42615920.00 28240100.00 30960540.00 32267110.00 33529320.00 31741090.00 32826160.00 27964440.00 31011210.00 30540000.00 37372930.00 31633110.00 26207310.00 25420760.00 24213660.00 21918160.00 36618680.00 34223340.00 16067380.00 31856620.00 23140050.00 18844340.00 29014550.00 22623570.00 30907860.00 42364600.00 27543910.00 20917630.00 40022270.00 27190630.00 37505890.00 35281750.00 18789760.00 37161120.00 40220860.00 35331790.00 33457500.00 24357200.00 22262360.00 27298950.00 34254140.00 27269420.00 26857150.00 18777000.00 19690470.00 43116400.00 39592830.00 34587250.00 Sphinganine 1-phosphate 172815.40 157827.20 67735.00 109858.30 101511.80 80633.37 76020.60 178277.60 78273.41 76686.18 153284.70 222128.90 158682.10 160928.00 258720.40 135664.60 207893.40 112917.10 225179.20 126051.50 244812.10 118827.90 159962.80 173925.60 184971.00 199044.60 135705.10 192193.10 257615.60 149886.40 161052.80 103548.50 93384.81 173142.00 114907.10 124388.20 220956.40 118821.60 93626.40 212251.40 193468.60 177858.50 138774.70 175867.90 110419.20 175920.10 101878.90 179519.00 149353.20 175705.50 155854.70 109193.20 141570.80 180471.70 89426.38 61096.07 86860.84 92710.26 94012.09 95535.27 102878.90 46732.34 79130.57 156007.90 72147.48 135785.50 38804.84 56532.78 147382.40 74631.17 113293.30 171003.10 101558.60 102012.10 122200.10 126396.20 161731.40 167402.00 141810.30 281788.50 191897.40 141001.80 179810.70 159014.10 210751.90 158549.70 148548.30 98476.79 127010.80 133836.80 141301.10 185126.00 129401.20 133731.30 156323.90 221993.10 132603.00 245358.10 118862.60 136532.10 127606.40 108595.40 144481.90 141514.40 177239.30 182357.30 79562.10 198381.80 89447.84 82053.78 162455.90 147911.40 98826.53 182719.70 82955.66 167544.40 210836.20 82077.93 119987.20 109870.90 71620.12 133056.80 126946.30 210905.40 218990.40 212703.20 247186.50 286829.80 249433.40 L-Carnitine 57201100.00 74757410.00 40127120.00 35516320.00 62206500.00 70471580.00 62093360.00 66665500.00 55589360.00 60322100.00 64844060.00 53041910.00 40828240.00 50648800.00 65225230.00 52337860.00 53815960.00 42264490.00 44684800.00 36437010.00 44411980.00 52217360.00 58601520.00 45474570.00 84082190.00 54454340.00 50941820.00 91689450.00 55798430.00 49458050.00 41780240.00 50785750.00 53104770.00 56079970.00 32208070.00 43055710.00 45319090.00 67511300.00 49736400.00 36594360.00 39378220.00 76415890.00 58804860.00 57575310.00 35503660.00 53993410.00 38883800.00 52803110.00 58563200.00 48026940.00 55432990.00 38557650.00 74933880.00 69749670.00 73506220.00 57724240.00 57890890.00 55577740.00 68562560.00 64529340.00 74800230.00 83863010.00 85778110.00 47952930.00 46296580.00 57079160.00 53253750.00 40444340.00 65485940.00 71859880.00 64890200.00 87545140.00 83362390.00 65462440.00 49642320.00 46646180.00 39490330.00 68402920.00 72268350.00 72120220.00 69845250.00 56247340.00 63627380.00 81069250.00 62307960.00 69445190.00 67479960.00 55246180.00 61979780.00 65786060.00 47024380.00 49492670.00 60259410.00 65613900.00 70159060.00 61521740.00 60731270.00 69305180.00 62512510.00 68904780.00 58276430.00 77025820.00 65362430.00 69750950.00 49729060.00 61575720.00 77911350.00 59705450.00 59642770.00 85594980.00 93725930.00 58870130.00 46894520.00 59383790.00 66942420.00 72473000.00 48273200.00 39670000.00 43801150.00 51177690.00 90542400.00 70852490.00 54765670.00 76874470.00 48667400.00 60292800.00 64215660.00 60097280.00 52260200.00 Acetyl-carnitine 15309170.00 21778230.00 18029430.00 12818140.00 15525840.00 21568400.00 13674980.00 26981500.00 26522140.00 20189240.00 29114450.00 16010330.00 14007280.00 30565680.00 21082070.00 32568890.00 23181490.00 17884310.00 11242040.00 16126170.00 25905090.00 17590470.00 27656170.00 17268590.00 16683890.00 17773280.00 17335450.00 24602490.00 14153570.00 21425600.00 42405930.00 12335330.00 20333670.00 20340320.00 14112570.00 21668280.00 17249990.00 14622380.00 28958300.00 15511160.00 28694850.00 25552170.00 19356480.00 28163810.00 29582470.00 11077000.00 23718210.00 14167650.00 13506760.00 19634370.00 20758500.00 19990130.00 24720800.00 24015790.00 17670060.00 19179120.00 31857150.00 21381150.00 23083440.00 24337370.00 21391370.00 16690070.00 27355800.00 56630320.00 15670360.00 36214710.00 17163070.00 21190520.00 15381260.00 30687100.00 19435300.00 28657660.00 31585820.00 18740410.00 21215870.00 21419700.00 17150800.00 20578880.00 18289380.00 16585900.00 13660290.00 25169310.00 21762010.00 35445720.00 26166580.00 30607710.00 21153980.00 12064080.00 25326310.00 22620770.00 9711845.00 14359320.00 19235130.00 30770420.00 13663290.00 22660680.00 22980640.00 17951310.00 18409760.00 32482610.00 29312880.00 27082940.00 19405670.00 43984660.00 14909390.00 19850710.00 15655860.00 16993940.00 14476820.00 63325650.00 28864140.00 15086320.00 18364490.00 28026570.00 37387080.00 52806640.00 21267470.00 21737740.00 11176100.00 12743020.00 24913040.00 22558700.00 17567380.00 23466080.00 19443990.00 26119380.00 32696480.00 29154990.00 21329230.00 Propionyl-carnitine 1682858.00 3789504.00 1235523.00 1332075.00 1490187.00 2884262.00 2422215.00 3332679.00 956720.40 2277871.00 2630511.00 1517654.00 1084144.00 2844313.00 2420721.00 1241022.00 2353251.00 1883068.00 1388496.00 1232369.00 1189468.00 1527638.00 2134552.00 1105806.00 1947326.00 1190710.00 3408133.00 2739025.00 3548240.00 1318637.00 874877.00 1092791.00 1595532.00 926489.20 1441977.00 1195578.00 2048178.00 1477919.00 1374551.00 1867954.00 1168704.00 2682521.00 1582163.00 1567463.00 1355154.00 1075673.00 1566518.00 1362713.00 1341145.00 1212124.00 1296650.00 650913.30 2330739.00 2105243.00 2226437.00 2117103.00 1815707.00 2095292.00 2803383.00 2125360.00 2084762.00 1896454.00 2111104.00 891096.40 1309139.00 761689.30 1573219.00 1620346.00 1578319.00 1726581.00 2012489.00 3169434.00 1479440.00 2259104.00 2394154.00 1707291.00 2227227.00 2339676.00 2526821.00 1915858.00 1586649.00 2621298.00 1552228.00 3643544.00 1782852.00 1141996.00 2949659.00 1655125.00 1425899.00 2333930.00 739999.20 1088883.00 1204008.00 3898588.00 2694204.00 1779809.00 3653122.00 1582487.00 2320105.00 2099663.00 2266101.00 5822376.00 2382523.00 1718081.00 1485709.00 1637427.00 2402225.00 1564876.00 1419382.00 2759144.00 2493624.00 2885313.00 4245828.00 3004727.00 1774677.00 3140669.00 1641930.00 1023806.00 1066735.00 1353137.00 3297985.00 1801629.00 1680353.00 2279607.00 1697997.00 1807927.00 2185111.00 2577757.00 1311944.00 Butanoyl-l-carnitine 712702.00 1423912.00 538966.80 601189.40 444497.20 925837.10 1099912.00 1414574.00 498105.10 926073.60 1227394.00 430114.00 854472.80 979788.70 1047603.00 437819.20 1053566.00 690335.70 639634.50 513388.50 411864.10 484323.20 463005.80 498973.90 731395.00 554531.90 1806805.00 997825.60 1022165.00 1404460.00 599304.40 410814.00 792294.20 618418.60 882221.30 482586.70 1061877.00 854720.40 791261.70 713897.20 607320.60 1243021.00 1031634.00 594852.80 578483.60 485162.80 1461027.00 1364605.00 357714.80 551033.20 471745.50 289162.70 1074371.00 964274.10 657821.50 834860.40 713520.20 610780.70 1426936.00 1240891.00 1215047.00 1300536.00 1414556.00 396552.00 610158.40 361773.90 621269.30 938448.80 1593865.00 686095.60 673535.90 1398965.00 637140.60 1291825.00 1185028.00 735233.20 559560.30 1385898.00 1496655.00 795034.10 951618.80 1502323.00 1710544.00 1671915.00 899635.20 660696.00 1707211.00 937215.10 1516542.00 2017054.00 418912.80 480253.50 392940.40 2043994.00 1178515.00 885656.80 1160998.00 633706.30 1048839.00 829590.80 2003114.00 1579165.00 1156870.00 1559266.00 803860.20 922421.40 1713517.00 876066.30 976058.90 3402508.00 1290959.00 1158590.00 1677730.00 2293634.00 689285.80 713299.30 1181592.00 605848.80 655023.20 687234.10 1201744.00 679902.80 724159.20 983505.00 819171.60 937369.80 1190868.00 892603.10 478486.60 Hydroxybutyrylcarnitine 578510.30 2070522.00 1137139.00 232891.10 752790.50 173008.60 2104061.00 620707.90 1406124.00 1108277.00 883610.40 3574470.00 2035838.00 409924.20 809337.50 207532.00 1236623.00 2370116.00 1590140.00 113207.30 230531.90 1910843.00 452194.60 507025.30 221427.30 424321.40 55220.82 827767.10 2016495.00 92585.50 72695.57 1114444.00 3392722.00 1613108.00 749219.00 1043837.00 692969.30 1358141.00 1388166.00 527554.90 857107.80 419097.90 607538.20 1386771.00 652060.30 431327.80 84218.29 989058.80 1460664.00 426732.50 775125.90 1633455.00 59459.57 1042132.00 603439.20 385100.80 402798.60 84482.72 1233734.00 325577.20 60970.31 469214.70 731765.30 1286809.00 291875.00 97229.49 926392.60 59750.29 1279375.00 414577.10 2071430.00 240044.00 1577656.00 73929.21 305588.50 71381.56 78634.45 69351.89 1610307.00 286769.30 222870.60 60571.02 122317.90 1436140.00 436209.90 1384041.00 48318.28 839602.90 312471.90 542801.90 130537.00 479228.90 59261.76 135155.80 105167.00 1391287.00 152229.00 2037628.00 1419648.00 6527986.00 674380.80 556901.10 3271136.00 3708034.00 172967.50 1335313.00 2268992.00 230800.10 659148.80 223786.10 196739.10 3686441.00 1750423.00 57170.64 112450.50 1323329.00 317006.40 1396598.00 189482.20 88241.13 107482.10 169099.40 57694.12 222503.70 1916423.00 1576287.00 1619214.00 4272948.00 710282.10 Tiglylcarnitine 150615.90 375041.20 104674.10 125615.70 190842.50 148987.60 199893.50 215643.10 78246.95 129681.40 239198.40 159507.50 119661.70 458977.80 267313.70 175490.00 264931.90 154993.90 232171.20 147538.90 301151.30 138638.50 152207.40 136783.50 364314.20 361640.20 271407.00 462768.20 268540.50 198246.30 304376.60 116899.50 257800.20 279221.90 195320.50 148974.60 335596.80 166317.60 90320.46 162866.50 159087.80 260963.10 140608.10 137831.10 278822.80 143609.30 188806.90 199271.10 156109.70 168291.70 230642.00 134513.30 398815.90 234589.50 402046.10 182425.00 209042.30 359700.30 327613.20 323391.50 257164.80 183637.70 200808.90 292462.10 143257.60 142351.40 341154.30 125569.10 216130.40 140983.40 281526.50 270263.20 130867.80 413610.70 300934.40 166264.00 206503.40 267784.80 239275.50 371942.00 349771.10 313074.40 330121.40 287358.80 239831.50 227299.40 355082.70 426806.80 297209.70 302093.80 265438.40 181526.10 184471.10 820351.80 229388.30 331892.00 266007.90 258812.90 370749.10 182774.90 322077.80 389398.60 393585.80 320198.50 157952.00 317507.40 347654.70 195296.10 162741.80 758085.30 484623.10 263938.70 383830.30 243463.70 391838.10 117664.40 319616.70 178510.60 158906.00 171099.60 220202.10 318973.40 208540.90 482664.30 138659.00 154185.80 432069.60 228727.20 169992.10 Hexanoyl-L-carnitine 128120.40 250443.00 253720.00 163444.70 227046.70 443818.80 197614.00 473618.00 408461.90 158906.40 540670.30 374172.00 218038.30 1005149.00 694735.80 1259171.00 499556.70 396126.20 88983.12 257998.90 406504.80 510512.80 534742.40 213311.00 402569.50 344776.80 388942.10 571758.50 236330.50 314257.80 1012236.00 102285.60 329347.90 402106.20 341192.80 386435.40 459070.20 172367.20 572574.90 203632.90 527356.40 584692.00 256627.30 412724.70 261914.20 171488.40 366479.20 372574.50 337363.10 576556.30 560480.60 355234.80 412578.40 736058.20 229495.50 408953.10 703626.80 297892.50 425417.80 233510.00 422912.70 367432.10 362246.50 510672.90 331784.70 1214207.00 588462.10 239554.80 230249.70 509857.30 196578.80 512210.80 656488.30 168689.10 329834.60 797687.80 130537.80 273676.00 229753.60 242553.00 261873.20 689393.40 576636.80 851792.20 683790.60 558245.10 468419.90 208232.90 1089646.00 465349.20 153549.00 199718.40 280550.10 813986.00 612076.80 425115.90 579476.60 290062.30 297360.40 963342.80 545163.10 961617.80 361109.40 639073.40 624015.10 693670.20 343479.80 241756.00 166042.70 1637525.00 780125.70 289816.80 365164.80 575549.70 974951.40 958874.90 641905.80 369911.80 312853.80 232841.40 578035.90 782378.80 531190.20 707073.10 535138.70 417400.30 1254666.00 342423.30 621005.70 L-octanoylcarnitine 1364243.00 2725028.00 2338074.00 2240846.00 1598209.00 2217058.00 688716.80 3678667.00 4586858.00 1592996.00 7695872.00 4181623.00 1947919.00 11732140.00 7066570.00 11157140.00 6022958.00 1942968.00 911106.00 4199814.00 2854420.00 5119398.00 5220610.00 2040916.00 3882759.00 4501844.00 1717393.00 4638236.00 1809875.00 5025810.00 7492128.00 982462.10 2652348.00 3020089.00 5217804.00 4948718.00 3670161.00 866060.30 3046122.00 1671222.00 7465378.00 5309994.00 2536828.00 2825225.00 2897978.00 1013293.00 4836554.00 3971660.00 3320017.00 3912402.00 4973587.00 6393736.00 3576171.00 6793240.00 2576145.00 3822484.00 8058520.00 3040892.00 4570610.00 2764955.00 4819776.00 5621744.00 5703502.00 3563972.00 2468961.00 10974610.00 6789388.00 2454809.00 2059304.00 5274008.00 2014414.00 3001999.00 4247866.00 1519124.00 3156415.00 4157346.00 916521.10 2757518.00 1241840.00 1591827.00 2617415.00 3945296.00 5572192.00 4919270.00 7814328.00 8748854.00 2845537.00 534572.20 17500020.00 4154936.00 786768.80 1670608.00 2459138.00 6417274.00 10360840.00 3326347.00 3295775.00 2488712.00 1935870.00 5261248.00 4951116.00 4528402.00 1869959.00 7412060.00 7396640.00 8173502.00 2696945.00 1380706.00 1229037.00 5496380.00 9092356.00 2048325.00 2797255.00 2554198.00 11024920.00 8771401.00 8518491.00 2482206.00 2023826.00 2834292.00 4123805.00 8714625.00 7152112.00 7245116.00 7111816.00 2656436.00 18638630.00 3405208.00 8661245.00 octenoyl-l-carnitine 5267950.00 5181712.00 1100222.00 3297652.00 3290671.00 5233937.00 2247501.00 6340384.00 3779254.00 3155875.00 7547544.00 8101438.00 5088630.00 9872223.00 6028898.00 3647520.00 7527524.00 2578593.00 2612236.00 3936437.00 3908529.00 7200690.00 4261318.00 9696397.00 7469858.00 10034240.00 2772804.00 4630488.00 2763982.00 4252356.00 6215954.00 2542618.00 7836498.00 7298816.00 4244544.00 3938573.00 6771114.00 3513147.00 7584998.00 5652910.00 6503034.00 10348740.00 3625575.00 4893484.00 3236607.00 3268249.00 4486404.00 5338816.00 2099755.00 7232000.00 6150270.00 3395724.00 10288960.00 8458528.00 3796548.00 5922206.00 9698525.00 6028810.00 5878176.00 2881022.00 4822994.00 5352996.00 4797080.00 6009226.00 2725385.00 7428250.00 3633711.00 6998154.00 4251014.00 5605680.00 2799213.00 4258536.00 9107445.00 3983845.00 6437712.00 13474850.00 1905884.00 10341120.00 5362359.00 6794074.00 3516297.00 14648490.00 9444729.00 7340400.00 9453305.00 9033585.00 3460327.00 2670558.00 5845710.00 10329120.00 5272026.00 4670896.00 4905714.00 5784270.00 2059315.00 4654802.00 5720162.00 2752432.00 13591160.00 8679564.00 7815054.00 12708430.00 5672204.00 6966276.00 2796981.00 8374146.00 6831416.00 3979472.00 2239104.00 6216686.00 1961814.00 5205060.00 2508145.00 24882780.00 14203200.00 22281090.00 9596021.00 4112510.00 2384865.00 2615204.00 15555280.00 10493940.00 2839074.00 14920620.00 2526586.00 4120683.00 9272912.00 3011365.00 2622288.00 O-Decenoyl-L-carnitine 1244094.00 2138591.00 1479996.00 2181577.00 1577233.00 2218077.00 487639.20 2895574.00 2795054.00 1171854.00 6761432.00 4240377.00 2543791.00 6221934.00 4976509.00 7623234.00 4687314.00 1396449.00 1330125.00 3883285.00 3249101.00 4876808.00 3129436.00 2836668.00 3508377.00 4671041.00 1600156.00 2818283.00 1292151.00 4123791.00 5899934.00 1235104.00 2491409.00 2267788.00 4253173.00 3596676.00 3554571.00 719182.80 2397141.00 2082265.00 5587251.00 4155714.00 1815225.00 2194238.00 2777792.00 1374444.00 2911082.00 3547723.00 2149489.00 2404963.00 4955276.00 3864244.00 3422474.00 5354712.00 2153472.00 3897915.00 7607016.00 1784786.00 5378642.00 2212319.00 5079975.00 3726677.00 3786127.00 3615105.00 2475539.00 9800632.00 5219486.00 1725024.00 2015871.00 5836510.00 2477824.00 2587922.00 4335738.00 1653654.00 3222479.00 4649220.00 806457.50 2429786.00 1263854.00 1204892.00 2480559.00 2838033.00 5354640.00 4332688.00 6714924.00 7402154.00 1599384.00 514182.50 9039665.00 5639322.00 1080755.00 1812060.00 3364980.00 5123479.00 5464918.00 3612074.00 2916015.00 2040577.00 3755489.00 3698526.00 4197316.00 5244096.00 1784716.00 7873844.00 4097065.00 5290699.00 1985844.00 2001669.00 1108835.00 6426242.00 5393910.00 1739064.00 2150398.00 3165870.00 9221721.00 4490162.00 6127356.00 2394616.00 1594946.00 2730257.00 5156934.00 6139524.00 5594788.00 8346346.00 2992800.00 1649831.00 10747630.00 2629379.00 5019860.00 O-dodecanoyl-carnitine 375280.90 749833.00 437941.60 270146.10 372631.30 605139.80 183187.30 772938.90 505995.00 257359.90 2308902.00 596137.30 325722.50 1633398.00 1254711.00 1613517.00 1127810.00 478288.40 188720.30 479159.00 1045418.00 1176179.00 944971.20 240365.20 650094.40 652510.40 460799.30 1868309.00 346378.80 1769094.00 1164443.00 217783.90 258672.70 690652.50 1364728.00 1162075.00 872807.80 210634.70 800200.20 602979.20 1906119.00 1065941.00 452580.20 670488.00 617500.50 275818.50 1058937.00 672445.00 509089.10 528851.40 605239.40 1714167.00 506507.10 946630.10 403728.20 260896.20 1485603.00 513593.90 1207146.00 284261.40 1119912.00 454104.20 979733.90 1015695.00 441837.10 967686.20 665707.50 302968.30 485914.40 763773.20 285801.50 488802.30 723819.40 237436.40 597497.40 276930.00 283774.70 500233.80 193667.80 286845.10 632921.10 797243.30 761602.90 916633.20 1055311.00 1043946.00 836289.00 66415.41 3614344.00 603844.20 402943.80 375580.10 285527.80 1577543.00 850359.50 448975.80 523722.80 276217.50 417997.90 831635.10 1008324.00 829899.30 311181.20 828273.30 768832.70 1163868.00 387094.80 360897.00 122876.70 964332.70 2164892.00 391661.20 576071.10 212495.50 1177959.00 1474305.00 1228832.00 394037.50 274411.20 578343.70 662003.30 1021471.00 1211911.00 713123.30 634058.40 361133.60 2032842.00 1621758.00 1009829.00 O-dodecenoyl-carnitine 291583.20 551132.30 811794.90 344209.30 367362.40 335895.90 170009.80 790500.70 1124686.00 363843.60 2121802.00 679470.40 354701.20 1404187.00 1150893.00 2116856.00 1382839.00 452447.00 289023.80 469478.20 753347.30 1085058.00 696403.30 331780.20 543740.10 845822.10 262985.90 1611566.00 396184.60 1439306.00 2582875.00 405156.80 631581.30 1133946.00 840660.20 1503961.00 995020.70 162320.50 842102.50 401356.40 1793732.00 916592.20 425854.20 599140.90 673902.10 303784.10 1245436.00 721343.00 538731.80 997901.60 995204.70 1821756.00 608396.10 1289426.00 451116.90 560501.00 2058184.00 848279.10 1377234.00 413730.20 1634128.00 656532.10 874804.00 1390221.00 1036355.00 2062850.00 1148546.00 310091.60 429650.50 1448699.00 597903.80 666721.20 1069109.00 299923.20 409063.00 1012203.00 206591.80 442839.30 394126.50 320353.20 710714.20 857232.80 1064434.00 1027262.00 1358593.00 1628343.00 608894.10 113776.60 3462645.00 746737.30 246232.70 208463.70 583902.20 1449905.00 677013.50 1384509.00 796236.90 407948.30 435864.90 678629.20 1681285.00 820514.60 313117.20 2054334.00 1010965.00 1697731.00 634196.60 517737.40 147132.50 3176403.00 2733364.00 377244.10 496425.60 266154.50 2568591.00 1072303.00 1684938.00 1228311.00 587924.60 662723.10 709743.90 1800602.00 1084500.00 1091303.00 966939.20 310338.20 2607236.00 1154360.00 1579661.00 O-tetradecanoyl-L-carnitine 105071.20 190396.90 143453.10 46734.78 99717.09 156419.10 126904.40 146115.50 122927.90 122136.30 282804.00 212161.50 66295.34 269957.40 206009.50 259736.90 228226.50 193056.50 110188.80 64855.88 176936.50 201896.00 162860.90 71082.04 229297.40 143076.80 109136.40 432921.20 166546.80 290344.60 122527.90 53696.02 34892.30 192287.00 290019.80 255567.50 233579.50 104903.90 227667.40 187883.20 305428.20 200589.00 83488.71 301712.40 157886.30 89186.06 208367.10 162672.70 115554.20 214605.10 83454.16 278387.20 193263.30 290321.30 116440.40 33607.64 169910.00 119471.90 201038.60 66018.44 210475.00 37293.29 152637.60 371991.90 136794.20 158952.70 53537.19 75802.02 170336.90 120679.50 60015.19 172275.90 168591.60 80972.90 123636.70 68665.88 117015.00 69403.62 145709.50 156414.50 108872.00 180416.00 188692.60 327621.90 292535.00 132552.30 276322.90 61601.69 354845.30 124280.10 128592.20 153429.60 107738.70 400253.20 223765.10 63455.00 217436.30 111577.10 111880.70 279959.00 258327.00 200103.40 126257.00 103172.90 134988.10 192176.60 144246.20 99979.97 38981.45 263270.20 464243.20 209583.70 160751.00 90174.29 224795.30 318548.10 262117.10 116787.50 114693.40 153845.90 148374.30 142091.80 235171.10 234389.00 204995.80 212549.60 234723.00 306042.50 231342.50 Bilirubin 311500.30 442753.30 617711.20 531873.80 479926.00 198094.30 329014.40 536457.80 466539.00 425739.00 1191616.00 1362245.00 1115269.00 1193686.00 1842410.00 1469096.00 789355.70 2485345.00 1251794.00 254460.10 1166198.00 963912.80 759978.60 831211.60 2329402.00 8911069.00 1468576.00 1149314.00 497284.90 1516788.00 10359350.00 2006063.00 1412866.00 1766182.00 980513.20 782363.30 998491.70 1504158.00 658238.60 782993.60 1406761.00 960017.80 1231608.00 2026336.00 1351654.00 907084.80 1047813.00 1001501.00 716128.10 1785489.00 2440581.00 3890614.00 1489058.00 822441.50 377930.20 2630276.00 1031065.00 346020.50 380159.80 1123192.00 510748.80 800114.80 290024.60 1321853.00 549017.50 2443724.00 1049538.00 2219329.00 523211.60 586974.40 1295358.00 257640.70 784490.20 273394.50 454277.40 1523765.00 1045328.00 1146429.00 578674.00 332876.50 2106853.00 418359.20 778031.70 1268522.00 1295726.00 3218401.00 736420.50 389347.70 923291.30 545279.50 707607.50 367821.70 294472.80 554205.20 370016.20 701507.80 742492.20 346553.80 509436.70 723293.50 1129130.00 464692.50 600634.40 2277089.00 1154396.00 962524.70 820947.70 600768.70 1189889.00 548435.30 700267.70 558967.90 1075678.00 177981.60 503099.00 396895.10 1603895.00 792188.80 816143.20 3298276.00 4779242.00 846474.60 1252257.00 1303424.00 6233938.00 1016209.00 1115774.00 2155676.00 1847874.00 Methylenediurea 358918.20 481448.20 216672.10 36747.96 344692.60 275058.70 306233.60 43943.05 238101.60 550691.90 123919.00 101875.60 278403.40 516799.70 426270.70 360077.80 262672.50 196563.20 220295.40 290114.80 163344.80 26368.18 315631.90 179193.70 106073.90 157114.20 422063.70 135412.50 303125.20 49336.75 105381.80 90224.15 182370.60 305030.80 100602.80 77526.29 101548.50 284898.40 136027.60 52618.97 37764.07 218950.70 330938.50 683838.80 206143.40 222967.00 110249.90 458105.90 486040.70 456178.80 366013.30 72684.58 473503.70 206175.80 450025.20 122124.50 435220.20 123818.60 50538.09 373631.50 243934.60 90298.78 126332.10 219989.80 84555.09 122400.10 98689.03 381223.60 404342.60 103761.60 160649.10 128737.00 94720.75 384305.00 122591.80 297704.90 100160.20 171971.80 392349.90 337855.00 345473.60 290265.50 180716.50 518631.00 207208.60 65878.05 101635.60 276224.40 87953.76 411000.50 80894.56 182246.80 132752.90 103205.60 267246.50 375392.80 234733.40 431480.00 227353.50 243467.90 349832.60 238107.90 160426.00 161779.60 55517.12 215781.80 344985.80 458641.20 345013.60 1035482.00 95135.71 262679.90 364981.10 575253.50 159864.80 343021.40 139648.80 351008.10 370202.40 202879.50 230330.80 172719.20 134291.70 281826.80 142553.70 245994.40 381637.70 106559.70 94270.09 N6-Methyl-L-lysine 218579.70 1397849.00 316145.10 1214972.00 1147520.00 206093.70 294651.10 1098404.00 146445.50 1015853.00 342863.70 289632.70 403436.50 1030516.00 297857.70 131243.50 265904.80 380737.30 267384.90 187427.40 212522.40 200948.50 1792326.00 146426.70 149090.40 168580.30 704430.90 376358.50 970229.70 768431.40 956909.80 350259.50 216244.30 203439.00 420405.80 284161.80 399069.30 336272.50 925634.40 286093.20 1647036.00 390815.40 150090.70 936166.10 200836.30 269355.10 1763954.00 1371673.00 245293.90 366141.00 338467.60 1625481.00 365264.20 724146.80 322325.00 161063.30 894226.10 193328.30 669131.20 1054824.00 198324.60 148159.10 254831.90 1022616.00 879950.00 237268.50 171585.20 191654.90 1090774.00 257861.00 224214.30 679957.20 198418.00 301024.20 293482.50 1313278.00 190035.60 139720.90 284204.80 1269664.00 912522.70 242945.80 265875.80 984586.10 336156.20 196575.90 280289.20 273842.40 240696.50 179569.80 360750.20 1102829.00 77825.71 984465.40 156072.00 1488138.00 196573.00 680106.10 228556.20 1255204.00 202838.40 223664.00 312708.80 186389.80 939191.80 358125.00 392452.20 559481.40 107723.80 559053.40 269152.20 249961.80 722723.40 250993.20 519386.50 261288.90 347548.80 256603.80 913484.30 1442276.00 362573.90 216903.30 414112.00 604057.30 1384114.00 845951.00 260463.00 978345.80 1188608.00 Ferric gluconate 13278.18 47431.28 22200.37 17188.00 43388.72 79124.60 64468.10 32228.68 74156.84 20446.84 34427.50 12454.96 25536.66 33976.35 158251.40 13980.77 45818.20 18891.54 32495.20 23464.43 37827.52 83777.28 31214.14 14621.73 10626.26 5930.68 82391.59 108065.80 97365.65 51885.81 29684.98 24211.13 18961.56 61888.08 140862.70 128781.40 296701.70 5497.90 24649.23 18641.16 54926.52 20441.35 59089.09 25594.75 12024.02 7700.43 28157.24 1673541.00 142775.20 48979.20 14748.05 167916.90 67976.52 75305.03 40187.43 19474.91 11474.47 25020.65 632230.60 44057.97 54486.08 69458.94 9600.54 42515.95 81281.63 100523.80 26282.23 158364.50 613029.00 73972.85 23712.62 18571.16 69294.84 173904.50 41070.06 11523.51 61669.89 134466.10 263826.90 59391.84 197552.40 104256.00 37762.04 15962.60 19947.76 27354.66 10412.84 58208.89 85902.73 136400.90 216635.90 89278.85 65157.81 83516.45 164371.80 42386.69 545337.80 123018.20 84143.21 66994.32 37350.28 42477.17 29326.01 10332.48 62524.19 153726.50 27135.08 45714.75 54381.75 476880.40 102981.50 38015.91 216603.60 25991.33 80530.66 0.00 80860.90 48882.46 79817.82 36567.60 40545.07 135928.00 44530.37 47221.36 179138.90 70180.28 59003.70 17942.66 63856.59 N-Amidino-L-aspartate 3054600.00 2921601.00 1154423.00 2219708.00 1884541.00 3234814.00 2583889.00 4718294.00 1346101.00 2654414.00 2132210.00 2990774.00 2116393.00 3691582.00 3134727.00 1842528.00 3163450.00 3333088.00 2291477.00 1294673.00 3198937.00 2894616.00 3831687.00 1586233.00 3130828.00 1783173.00 4708018.00 2803563.00 4967330.00 2797456.00 2904915.00 3221490.00 1897035.00 2592904.00 3272009.00 2021115.00 2962146.00 2514338.00 1865506.00 1659797.00 1903348.00 2464643.00 1372473.00 2125428.00 1717472.00 3025122.00 1676497.00 2898084.00 2623263.00 2466266.00 1632989.00 3162416.00 2392294.00 4677518.00 3139774.00 3723771.00 2631333.00 2618309.00 3047353.00 2689201.00 3508862.00 2191512.00 3039631.00 3086600.00 2794877.00 1948307.00 2893480.00 1647062.00 2814952.00 2295188.00 3166847.00 3268740.00 1520349.00 3930321.00 2885962.00 2681018.00 3262555.00 2852569.00 4133338.00 2710731.00 3388842.00 5143402.00 3812290.00 3464624.00 2343938.00 2253599.00 5005642.00 3061460.00 1933562.00 3681873.00 2380109.00 3262844.00 1882681.00 3827343.00 4207182.00 4616665.00 3397541.00 3408368.00 3008471.00 2393291.00 2623999.00 4929854.00 4317926.00 2807271.00 3702994.00 2513737.00 3281244.00 2958884.00 1662818.00 2665482.00 3188208.00 4727626.00 3673931.00 3155412.00 3292375.00 1231134.00 2491368.00 1941290.00 1988861.00 3185902.00 2967907.00 2338760.00 3950272.00 3627187.00 3728994.00 2708323.00 4069035.00 4432154.00 1900702.00 N-Acyl-D-glutamate 27395.64 142576.60 122567.90 30417.01 155949.20 123752.90 71548.26 298786.20 36904.14 241736.50 249561.00 59813.33 63675.12 251539.10 503523.30 70904.84 173290.40 66421.62 195556.60 99667.38 71831.72 18579.78 81140.18 112184.30 113983.20 114872.40 449152.90 166777.90 195681.10 99779.46 32195.08 53175.69 51674.68 261379.40 135850.50 39855.47 222046.00 197592.20 47566.45 92774.94 65047.80 92709.06 96658.66 150704.20 123159.10 52107.96 144668.60 383478.40 106447.60 375930.30 125438.10 122605.60 222643.20 292336.80 156843.30 145855.10 289201.50 334605.80 756870.40 114234.10 325122.30 80301.19 365390.40 188345.80 370734.50 133692.40 185110.30 592693.20 120047.60 282694.70 271798.50 632343.40 215004.10 300745.80 202837.30 71751.22 192400.90 392380.90 304406.20 517686.80 320159.30 308756.30 263322.70 345948.50 401369.70 104623.00 263972.00 386107.60 269385.60 340963.80 94993.09 562728.90 449740.80 225342.80 177668.30 86773.35 505599.40 263238.80 177880.30 249248.20 237732.10 213479.20 483042.80 320902.30 593648.40 286544.10 175273.20 136642.20 142943.00 763790.70 479399.80 162674.10 392730.50 365736.10 228355.00 112092.80 422480.80 187730.90 196598.10 441284.50 130934.20 394895.80 212762.20 270085.30 27869.30 280488.40 262608.90 166227.20 90479.27 L-Kynurenine 1587031.00 3943184.00 2042186.00 3627522.00 1319115.00 3884631.00 2852043.00 2286364.00 3156333.00 2363021.00 1694203.00 2798333.00 5502442.00 1417837.00 2134946.00 2773818.00 1508544.00 4622598.00 1669623.00 1763433.00 2243814.00 5012796.00 3281603.00 3501947.00 3808474.00 5097698.00 3719252.00 5297345.00 3686021.00 3756532.00 2616330.00 5708420.00 3787878.00 2879189.00 2914130.00 2769567.00 2427463.00 3385830.00 3640420.00 3206050.00 4089159.00 3668735.00 2751534.00 4512186.00 2681080.00 3221752.00 4264668.00 1703415.00 2145905.00 5022082.00 4938105.00 2047451.00 2915191.00 4416642.00 3599367.00 2858133.00 4995544.00 7079466.00 3070471.00 2537165.00 1855963.00 5578928.00 4034785.00 2716418.00 5316814.00 1638021.00 3582550.00 5217362.00 5179208.00 3031464.00 3376746.00 2315175.00 2437490.00 2692771.00 2210777.00 4865294.00 2720231.00 3626276.00 2859947.00 3302022.00 3943425.00 3844510.00 2527598.00 4269525.00 3491882.00 3478889.00 1736850.00 2912182.00 2294617.00 2619485.00 11158240.00 6001956.00 2726050.00 3994102.00 1156382.00 2818598.00 1570929.00 2569004.00 2371831.00 2417297.00 3406668.00 5262880.00 2682934.00 2640076.00 3218632.00 1915537.00 2146476.00 2118798.00 2531345.00 2136067.00 3347630.00 5152678.00 5246960.00 2243462.00 2788254.00 3639071.00 2380968.00 1989131.00 2438637.00 2814345.00 2116998.00 2354074.00 5227952.00 4505324.00 2696073.00 3969829.00 4519434.00 3483864.00 2139707.00 L-Formylkynurenine 259832.90 373369.30 156472.50 251929.40 288054.40 188151.10 355245.60 274509.50 215945.10 165127.60 278205.80 276020.10 303040.60 147698.20 204254.20 319232.80 121151.90 311514.50 145328.30 127954.80 154067.00 167165.60 191406.60 183823.70 296605.60 198202.40 144630.80 241826.20 160184.00 182607.40 182956.50 260451.30 129082.10 211878.60 166582.80 164363.00 164621.30 236293.20 169871.50 272274.90 276994.30 166406.40 251148.20 235514.60 143458.90 183317.00 157407.30 190997.30 146200.60 192224.80 167488.60 191686.50 256363.10 259404.50 215847.20 232013.90 195947.30 163350.40 196305.00 171287.40 182272.00 120972.70 180504.20 113138.50 287587.40 103682.30 152705.80 226563.00 323571.80 248717.80 257787.10 137939.10 266999.90 236830.70 250849.00 125417.60 157914.40 125769.20 110258.60 175852.70 154482.50 142824.50 125213.30 332069.20 345947.10 179856.50 119750.10 250205.80 241134.80 136721.80 96975.97 235740.80 245086.80 173262.40 225460.10 150191.40 59776.98 273880.00 206855.20 193324.10 227230.30 189346.70 127881.70 245332.60 192027.20 258585.00 217639.70 179319.00 344645.10 127344.10 435653.00 199769.60 283395.10 260681.80 162198.40 110528.00 149815.30 101391.50 159243.90 196902.10 210720.50 132494.60 274886.00 186244.00 136969.90 140465.40 216111.10 91824.06 142762.60 6-Hydroxykynurenic acid 51612.38 99469.90 28379.60 149035.30 26213.90 73332.38 23867.87 10947.09 29114.57 47363.84 40634.07 87839.31 66959.46 56200.60 42131.35 58946.40 47168.20 20048.31 28955.95 38528.42 98795.04 51426.56 78245.52 73897.45 8215.60 82294.12 36587.79 69296.93 86082.77 29691.89 23842.14 54305.99 113644.90 46370.98 102038.80 39636.70 86825.36 74609.52 37209.03 41496.30 56797.25 21618.97 0.00 47757.08 18168.03 73190.98 38862.12 32623.79 51609.82 32167.40 50624.64 57765.89 65044.54 68622.48 108713.60 119007.60 125737.10 57581.95 160733.50 58010.77 88901.96 146413.80 116727.00 71225.31 175989.80 103356.00 173623.60 207766.50 134055.00 68393.60 32696.20 48701.47 117150.00 87859.01 97510.32 90798.43 50243.22 70408.69 13938.13 88909.73 75894.02 119251.20 36501.13 79700.78 50439.53 108604.50 63768.33 33755.37 21936.05 14146.99 253742.30 132025.50 76477.24 75317.89 26010.74 20780.37 38056.88 33006.64 70152.65 40887.10 64472.05 70392.59 92514.66 20148.44 57431.42 97931.35 69558.07 29982.83 53886.42 31727.08 194600.60 175783.60 194875.40 152527.50 95355.73 131417.20 70894.49 121068.00 74791.11 140807.60 71772.38 71569.23 165175.00 266208.00 148307.20 133897.20 152569.50 70104.95 148326.40 Quinolinic acid 0.00 16279.78 24426.01 39720.03 13407.93 95495.22 62061.64 34943.91 42587.83 8857.76 42194.11 18378.03 87763.52 32656.50 6933.27 49585.52 0.00 33213.61 7456.11 0.00 0.00 140522.50 57774.58 59168.44 155090.50 56522.25 87873.12 34187.11 23754.28 52667.00 2682.06 51768.59 78031.68 47807.21 75227.23 15791.80 25397.39 24843.31 24343.50 52640.07 87006.54 31741.65 17127.15 44451.81 33564.53 0.00 55610.18 18370.51 28133.39 39689.03 38707.07 0.00 29010.74 39064.11 0.00 32766.87 112159.80 101305.60 79919.42 11118.73 42359.99 23665.99 52146.95 0.00 151417.00 0.00 15074.91 0.00 107037.60 41824.13 37858.83 11686.58 17093.62 37833.79 0.00 17908.19 19379.42 0.00 0.00 28256.66 11278.34 29093.69 46954.84 47015.07 14653.17 43429.24 9480.39 27406.75 33179.21 14681.50 1287543.00 68674.29 28719.99 39223.39 7106.96 0.00 20477.60 19796.58 33121.96 24243.77 0.00 54754.61 39196.23 32648.12 46564.84 12849.34 43859.36 20480.06 14370.84 36189.77 14019.18 74106.01 54227.86 0.00 0.00 13464.96 8520.39 7133.38 37063.14 7499.28 38386.28 9315.94 54148.50 110009.00 37878.38 95483.79 30334.52 0.00 34166.86 Anthranilate 1245837.00 322585.20 726263.70 125566.50 774994.40 264615.00 318074.30 2536797.00 91175.84 663966.90 1081120.00 1833535.00 127301.90 4025539.00 5611040.00 117696.50 1152544.00 318921.90 1018768.00 1442741.00 302385.90 213471.20 1232164.00 279325.00 338739.00 829743.60 1159708.00 493190.40 615484.60 5666884.00 289387.20 350121.10 111733.30 1339980.00 3497055.00 2108899.00 8381482.00 528257.50 669744.20 683292.30 214900.20 441377.30 4222150.00 200040.90 277450.00 3142753.00 1105774.00 599681.80 7038100.00 1944075.00 180189.80 990046.30 1369708.00 3410261.00 315206.90 118720.00 2979804.00 1495336.00 308721.40 946125.70 1765442.00 101680.10 364722.20 708643.50 1759784.00 6549646.00 591414.20 540852.70 3597363.00 1256736.00 1277121.00 9075380.00 207915.20 323826.40 1049971.00 300090.50 494108.60 199563.70 218023.70 107918.90 2071762.00 309898.00 1170897.00 587822.40 627929.40 367879.00 2176087.00 174279.60 269051.20 330564.80 581140.80 418890.20 178918.20 2662048.00 549897.20 4174065.00 154715.80 255342.00 1185196.00 736532.80 988954.50 1066606.00 362604.80 531405.80 7860466.00 4749546.00 1059550.00 1314249.00 256440.20 880895.40 1923982.00 279954.90 217527.70 3620267.00 541358.20 814450.00 644562.40 2355010.00 393487.20 290949.70 603818.30 315515.20 108938.20 118042.50 244667.50 1133684.00 632054.10 1396784.00 11946810.00 Picolinic acid 1322987.00 2776475.00 2018789.00 3477380.00 2463654.00 135635.80 1753156.00 1639913.00 129721.30 2840071.00 200373.10 185465.70 859921.30 1647160.00 2560512.00 1097582.00 2383924.00 230650.80 1899098.00 1838836.00 2127738.00 1246053.00 2420804.00 1112399.00 1370795.00 3110069.00 1120913.00 1727417.00 3756126.00 3505829.00 2466257.00 2161919.00 2646692.00 196513.80 3103442.00 2717958.00 3058845.00 1974187.00 3943215.00 321217.20 278184.20 1538188.00 246402.90 1394733.00 3215746.00 3116189.00 1277276.00 2682735.00 2488236.00 1603119.00 1964648.00 187957.70 1020293.00 238388.60 1740916.00 2058263.00 1589972.00 1792038.00 2678861.00 2238830.00 2936028.00 1231019.00 3858019.00 2540379.00 2664068.00 1203202.00 4010598.00 3292981.00 259163.60 1384750.00 1274750.00 545944.10 1273444.00 4547758.00 2326259.00 3319658.00 2948554.00 3171467.00 1892004.00 1249768.00 2905653.00 2756844.00 1077959.00 193066.30 5231028.00 1896988.00 972818.40 2837090.00 1130558.00 203016.40 1927861.00 3055551.00 1808874.00 3308597.00 1323685.00 2478671.00 3281501.00 1085468.00 3529692.00 201403.50 2067466.00 1614642.00 4445486.00 2177054.00 1240120.00 3788447.00 1513218.00 2165223.00 3239294.00 1504628.00 2817566.00 1153872.00 1978762.00 255794.60 2928635.00 3334621.00 2856303.00 2877850.00 2535871.00 3175269.00 2398153.00 2372538.00 1923437.00 1142346.00 1603085.00 1528681.00 3724588.00 2547013.00 3667694.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID HMDB ID PubChem ID quantitated m/z medRt L-alanine C00041 90.05563 0.694 L-arginine C00062 175.119 0.663 L-asparagine C00152 133.0606 0.694 L-aspartate C00049 134.0449 0.710 L-cysteine C00097 122.0273 0.686 L-glutamate C00025 148.0605 0.695 L-glutamine C00064 147.0762 0.691 glycine C00037 76.04005 0.690 L-histidine C00135 156.0765 0.613 L-leucine/isoleucine C00123 132.1017 0.687 L-lysine C00047 147.1127 0.613 L-methionine C00073 150.0584 0.686 L-phenylalanine C00079 166.086 0.690 L-proline C00148 116.0708 0.688 L-serine C00065 106.0501 0.691 L-threonine C00188 120.0657 0.688 L-tryptophan C00078 205.0972 1.724 L-tyrosine C00082 182.0809 0.687 L-valine C00183 118.0864 0.691 L-cystine C00491 241.0309 0.699 Uracil C00106 113.036 0.583 IDP C00104 429.0221 0.823 Hypoxanthine C00262 137.0454 0.686 Xanthine C00385 153.0391 0.585 Allantoate C00499 177.0607 0.611 5-Hydroxyisourate C11821 185.0318 0.680 2',3'-Cyclic CMP C02354 306.0494 0.687 5-6-Dihydrothymine C00906 129.0659 0.678 Pyridoxamine 5'-phosphate C00647 249.0607 0.683 5-Oxoproline C01879 130.05 0.690 Cys-Gly C01419 179.0484 0.678 L-Homocysteine C00155 136.0428 0.685 Dimethylglycine C01026 104.0711 0.691 Phosphoserine C02532 186.0183 0.680 Ornithine C01602 133.0971 0.608 L-Citrulline C00327 176.103 0.689 Cadaverine C01672 103.1233 0.601 Spermidine C00315 146.1649 0.612 Spermine C00750 203.2227 0.615 Carnosine C00386 227.1152 0.650 Creatine C00300 132.0768 0.677 Creatinine C00791 114.0664 0.685 Pantothenol C00864 220.1174 1.668 Taurine C00245 126.0221 0.722 Indole C00463 118.0654 1.727 Indole-3-acetate C00954 176.0704 1.897 Indoxyl C05658 134.0601 1.850 g-Oxalo-crotonate C03453 159.0275 0.684 L-Adrenaline C00788 184.0941 0.667 N-Methylethanolamine phosphate C01210 156.0419 0.668 Acetylcholine C01996 146.1173 0.678 Choline C00114 104.1074 0.666 Sphinganine 1-phosphate C01120 382.2707 3.813 L-Carnitine C00318 162.1122 0.672 Acetyl-carnitine C02571 204.123 0.689 Propionyl-carnitine C03017 218.1386 0.689 Butanoyl-l-carnitine C02862 232.1541 0.690 Hydroxybutyrylcarnitine HMDB13127 248.1479 1.750 Tiglylcarnitine HMDB02366 244.1541 1.741 Hexanoyl-L-carnitine HMDB00756 260.1852 1.800 L-octanoylcarnitine C02838 288.2162 1.881 octenoyl-l-carnitine 70679121 286.2007 1.839 O-Decenoyl-L-carnitine 57357170 314.2318 1.937 O-dodecanoyl-carnitine HMDB02250 344.2786 2.216 O-dodecenoyl-carnitine HMDB13326 342.2629 2.062 O-tetradecanoyl-L-carnitine HMDB05066 372.31 2.725 Bilirubin C00486 585.2703 1.945 Methylenediurea C06381 133.0737 0.677 N6-Methyl-L-lysine C02728 161.1283 0.626 Ferric gluconate C13511 196.0604 1.735 N-Amidino-L-aspartate C03139 176.0659 0.674 N-Acyl-D-glutamate C06379 175.0476 0.680 L-Kynurenine C00328 209.0917 1.430 L-Formylkynurenine C02700 237.0862 1.484 6-Hydroxykynurenic acid C08480 206.0473 0.930 Quinolinic acid C03722 168.0289 0.932 Anthranilate C00108 138.0547 0.749 Picolinic acid C10164 124.0397 0.601 METABOLITES_END #END