#METABOLOMICS WORKBENCH zys1986062186_20250821_200342 DATATRACK_ID:6321 STUDY_ID:ST004188 ANALYSIS_ID:AN006956 PROJECT_ID:PR002641 VERSION 1 CREATED_ON September 16, 2025, 12:05 am #PROJECT PR:PROJECT_TITLE Discovery and Validation of Metabolic Biomarkers for 'Liver Qi Stagnation' and PR:PROJECT_TITLE 'Liver-Gallbladder Damp-Heat' Syndromes in Cholelithiasis: An Integrated Study PR:PROJECT_TITLE Using Non-targeted and Targeted Metabolomics PR:PROJECT_TYPE Observational study PR:PROJECT_SUMMARY In order to explore the metabolic differences between the two major traditional PR:PROJECT_SUMMARY Chinese medicine disorders related to gallstones, namely "Liver Qi Stagnation" PR:PROJECT_SUMMARY (LQS) and "Liver and Gallbladder Damp Heat" (LGDH), this study employed a PR:PROJECT_SUMMARY comprehensive metabolomics approach on serum and urine. Our aim was to identify PR:PROJECT_SUMMARY objective biomarkers in the serum and urine to achieve the differentiation of PR:PROJECT_SUMMARY the disorders and to elucidate the underlying biological basis. PR:INSTITUTE The First Affiliated Hospital of Dalian Medical University PR:LABORATORY Laboratory of Integrative Medicine PR:LAST_NAME yunshu PR:FIRST_NAME Ma PR:ADDRESS No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province, Dalian, PR:ADDRESS Xigang District, Dalian City, Liaoning Province, 116000, China PR:EMAIL zys1986062186@163.com PR:PHONE +86-411-93635863 #STUDY ST:STUDY_TITLE Discovery and Validation of Metabolic Biomarkers for 'Liver Qi Stagnation' and ST:STUDY_TITLE 'Liver-Gallbladder Damp-Heat' Syndromes in Cholelithiasis: Urine targeted ST:STUDY_TYPE Observational study ST:STUDY_SUMMARY In order to explore the metabolic differences between the two main traditional ST:STUDY_SUMMARY Chinese medicine syndromes of gallstones - "Liver Qi Stagnation" (LQS) and ST:STUDY_SUMMARY "Liver and Gallbladder Damp Heat" (LGDH), this study employed three targeted ST:STUDY_SUMMARY metabolomics methods for the analysis of urine. Our aim was to identify ST:STUDY_SUMMARY objective biomarkers in urine for the differentiation of the diseases and to ST:STUDY_SUMMARY elucidate the underlying biological basis. A total of 204 metabolites were ST:STUDY_SUMMARY collected from the urine. ST:INSTITUTE The First Affiliated Hospital of Dalian Medical University ST:LABORATORY Laboratory of Integrative Medicine ST:LAST_NAME Zhang ST:FIRST_NAME Yunshu ST:ADDRESS No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province ST:EMAIL zys1986062186@163.com ST:PHONE +86-411-83635863 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 20-74 SU:GENDER Male and female SU:HUMAN_TRIAL_TYPE No-intervention SU:HUMAN_LIFESTYLE_FACTORS N/A SU:HUMAN_MEDICATIONS No-medication SU:HUMAN_PRESCRIPTION_OTC No-prescription SU:HUMAN_SMOKING_STATUS N/A SU:HUMAN_ALCOHOL_DRUG_USE N/A SU:HUMAN_NUTRITION Gneral nutrition #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS SRN1 SRN1 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN1.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN1.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN1.mzML SUBJECT_SAMPLE_FACTORS SRN3 SRN3 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN3.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN3.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN3.mzML SUBJECT_SAMPLE_FACTORS SRN4 SRN4 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN4.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN4.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN4.mzML SUBJECT_SAMPLE_FACTORS SRN6 SRN6 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN6.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN6.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN6(2).mzML SUBJECT_SAMPLE_FACTORS SRN8 SRN8 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN8.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN8.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN8.mzML SUBJECT_SAMPLE_FACTORS SRN9 SRN9 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN9.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN9.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN9.mzML SUBJECT_SAMPLE_FACTORS SRN11 SRN11 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN11.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN11.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN11.mzML SUBJECT_SAMPLE_FACTORS SRN12 SRN12 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN12.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN12.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN12.mzML SUBJECT_SAMPLE_FACTORS SRN15 SRN15 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN15.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN15.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN15.mzML SUBJECT_SAMPLE_FACTORS SRN16 SRN16 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN16.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN16.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN16.mzML SUBJECT_SAMPLE_FACTORS SRN17 SRN17 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN17.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN17.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN17.mzML SUBJECT_SAMPLE_FACTORS SRN18 SRN18 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN18.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN18.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN18.mzML SUBJECT_SAMPLE_FACTORS SRN20 SRN20 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN20.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN20.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN20.mzML SUBJECT_SAMPLE_FACTORS SRN21 SRN21 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN21.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN21.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN21.mzML SUBJECT_SAMPLE_FACTORS SRN22 SRN22 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN22.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN22.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN22.mzML SUBJECT_SAMPLE_FACTORS SRN24 SRN24 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN24.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN24.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN24.mzML SUBJECT_SAMPLE_FACTORS SRN25 SRN25 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN25.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN25.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN25.mzML SUBJECT_SAMPLE_FACTORS SRN27 SRN27 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN27.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN27.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN27.mzML SUBJECT_SAMPLE_FACTORS SRN28 SRN28 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN28.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN28.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN28.mzML SUBJECT_SAMPLE_FACTORS SRN29 SRN29 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN29.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN29.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN29.mzML SUBJECT_SAMPLE_FACTORS SRN30 SRN30 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN30.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN30.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN30.mzML SUBJECT_SAMPLE_FACTORS SRN31 SRN31 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN31.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN31.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN31.mzML SUBJECT_SAMPLE_FACTORS SRN32 SRN32 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN32.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN32.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN32.mzML SUBJECT_SAMPLE_FACTORS SRN33 SRN33 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN33.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN33.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN33.mzML SUBJECT_SAMPLE_FACTORS SRN34 SRN34 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN34.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN34.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN34.mzML SUBJECT_SAMPLE_FACTORS SRN36 SRN36 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN36.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN36.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN36.mzML SUBJECT_SAMPLE_FACTORS SRN37 SRN37 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN37.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN37.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN37.mzML SUBJECT_SAMPLE_FACTORS SRN38 SRN38 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-SN38.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-SN38.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-SN38.mzML SUBJECT_SAMPLE_FACTORS QZN1 QZN1 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN1.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN1.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN1.mzML SUBJECT_SAMPLE_FACTORS QZN2 QZN2 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN2.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN2.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN2.mzML SUBJECT_SAMPLE_FACTORS QZN3 QZN3 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN3.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN3.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN3(3).mzML SUBJECT_SAMPLE_FACTORS QZN4 QZN4 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN4.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN4.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN4.mzML SUBJECT_SAMPLE_FACTORS QZN5 QZN5 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN5.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN5.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN5.mzML SUBJECT_SAMPLE_FACTORS QZN6 QZN6 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN6.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN6.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN6.mzML SUBJECT_SAMPLE_FACTORS QZN8 QZN8 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN8.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN8.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN8.mzML SUBJECT_SAMPLE_FACTORS QZN10 QZN10 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN10.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN10.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN10.mzML SUBJECT_SAMPLE_FACTORS QZN11 QZN11 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN11.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN11.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN11.mzML SUBJECT_SAMPLE_FACTORS QZN12 QZN12 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN12.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN12.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN12.mzML SUBJECT_SAMPLE_FACTORS QZN13 QZN13 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN13.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN13.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN13.mzML SUBJECT_SAMPLE_FACTORS QZN14 QZN14 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN14.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN14.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN14.mzML SUBJECT_SAMPLE_FACTORS QZN15 QZN15 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN15.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN15.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN15.mzML SUBJECT_SAMPLE_FACTORS QZN16 QZN16 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN16.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN16.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN16.mzML SUBJECT_SAMPLE_FACTORS QZN17 QZN17 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN17.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN17.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN17.mzML SUBJECT_SAMPLE_FACTORS QZN18 QZN18 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN18.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN18.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN18.mzML SUBJECT_SAMPLE_FACTORS QZN19 QZN19 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN19.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN19.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN19.mzML SUBJECT_SAMPLE_FACTORS QZN20 QZN20 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN20.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN20.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN20.mzML SUBJECT_SAMPLE_FACTORS QZN21 QZN21 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN21.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN21.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN21.mzML SUBJECT_SAMPLE_FACTORS QZN22 QZN22 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN22.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN22.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN22.mzML SUBJECT_SAMPLE_FACTORS QZN23 QZN23 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN23.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN23.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN23.mzML SUBJECT_SAMPLE_FACTORS QZN24 QZN24 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN24.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN24.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN24.mzML SUBJECT_SAMPLE_FACTORS QZN25 QZN25 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN25.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN25.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN25.mzML SUBJECT_SAMPLE_FACTORS QZN26 QZN26 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN26.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN26.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN26.mzML SUBJECT_SAMPLE_FACTORS QZN27 QZN27 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN27.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN27.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN27.mzML SUBJECT_SAMPLE_FACTORS QZN28 QZN28 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN28.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN28.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN28.mzML SUBJECT_SAMPLE_FACTORS QZN29 QZN29 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN29.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN29.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN29.mzML SUBJECT_SAMPLE_FACTORS QZN30 QZN30 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN30.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN30.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN30.mzML SUBJECT_SAMPLE_FACTORS QZN31 QZN31 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN31.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN31.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN31.mzML SUBJECT_SAMPLE_FACTORS QZN33 QZN33 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-QN33.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-QN33.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-QN33.mzML SUBJECT_SAMPLE_FACTORS DZN1 DZN1 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN1.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN1.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN1.mzML SUBJECT_SAMPLE_FACTORS DZN2 DZN2 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN2.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN2.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN2.mzML SUBJECT_SAMPLE_FACTORS DZN3 DZN3 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN3.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN3.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN3.mzML SUBJECT_SAMPLE_FACTORS DZN4 DZN4 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN4.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN4.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN4.mzML SUBJECT_SAMPLE_FACTORS DZN5 DZN5 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN5.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN5.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN5.mzML SUBJECT_SAMPLE_FACTORS DZN6 DZN6 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN6.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN6.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN6(4).mzML SUBJECT_SAMPLE_FACTORS DZN7 DZN7 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN7.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN7.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN7.mzML SUBJECT_SAMPLE_FACTORS DZN8 DZN8 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN8.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN8.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN8.mzML SUBJECT_SAMPLE_FACTORS DZN9 DZN9 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN9.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN9.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN9.mzML SUBJECT_SAMPLE_FACTORS DZN10 DZN10 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN10.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN10.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN10.mzML SUBJECT_SAMPLE_FACTORS DZN11 DZN11 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN11.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN11.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN11.mzML SUBJECT_SAMPLE_FACTORS DZN12 DZN12 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN12.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN12.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN12.mzML SUBJECT_SAMPLE_FACTORS DZN13 DZN13 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN13.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN13.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN13.mzML SUBJECT_SAMPLE_FACTORS DZN15 DZN15 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN15.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN15.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN15(3).mzML SUBJECT_SAMPLE_FACTORS DZN16 DZN16 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN16.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN16.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN16.mzML SUBJECT_SAMPLE_FACTORS DZN17 DZN17 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN17.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN17.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN17.mzML SUBJECT_SAMPLE_FACTORS DZN18 DZN18 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN18.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN18.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN18.mzML SUBJECT_SAMPLE_FACTORS DZN19 DZN19 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN19.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN19.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN19.mzML SUBJECT_SAMPLE_FACTORS DZN20 DZN20 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN20.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN20.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN20.mzML SUBJECT_SAMPLE_FACTORS DZN21 DZN21 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN21.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN21.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN21.mzML SUBJECT_SAMPLE_FACTORS DZN22 DZN22 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN22.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN22.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN22.mzML SUBJECT_SAMPLE_FACTORS DZN23 DZN23 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN23.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN23.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN23.mzML SUBJECT_SAMPLE_FACTORS DZN24 DZN24 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN24.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN24.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN24.mzML SUBJECT_SAMPLE_FACTORS DZN25 DZN25 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN25.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN25.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN25.mzML SUBJECT_SAMPLE_FACTORS DZN26 DZN26 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN26.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN26.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN26.mzML SUBJECT_SAMPLE_FACTORS DZN27 DZN27 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN27.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN27.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN27.mzML SUBJECT_SAMPLE_FACTORS DZN28 DZN28 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN28.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN28.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN28.mzML SUBJECT_SAMPLE_FACTORS DZN29 DZN29 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN29.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN29.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN29.mzML SUBJECT_SAMPLE_FACTORS DZN31 DZN31 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN31.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN31.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN31.mzML SUBJECT_SAMPLE_FACTORS DZN32 DZN32 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN32.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN32.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN32.mzML SUBJECT_SAMPLE_FACTORS DZN33 DZN33 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN33.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN33.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN33.mzML SUBJECT_SAMPLE_FACTORS DZN34 DZN34 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN34.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN34.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN34.mzML SUBJECT_SAMPLE_FACTORS DZN35 DZN35 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-DN35.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-DN35.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-DN35.mzML SUBJECT_SAMPLE_FACTORS UQC1 UQC1 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-UQC-1.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-UQC-1.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-UQC-1.mzML SUBJECT_SAMPLE_FACTORS UQC2 UQC2 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-UQC-2.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-UQC-2.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-UQC-2.mzML SUBJECT_SAMPLE_FACTORS UQC3 UQC3 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-UQC-3.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-UQC-3.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-UQC-3.mzML SUBJECT_SAMPLE_FACTORS UQC4 UQC4 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-UQC-4.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-UQC-4.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-UQC-4.mzML SUBJECT_SAMPLE_FACTORS UQC5 UQC5 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DataM1-DSZ-SSY-20230518-UQC-5.mzML; RAW_FILE_NAME(Raw file name)=M2/DataM2-DSZ-SSY-20230511-UQC-5.mzML; RAW_FILE_NAME(Raw file name)=M4/DataM4-DSZ-SSY-20230506-UQC-5.mzML #COLLECTION CO:COLLECTION_SUMMARY In this study, 91 participants were recruited, comprising 33 healthy controls CO:COLLECTION_SUMMARY (HC), 30 cholelithiasis patients with LQS syndrome, and 28 with LGDH syndrome. CO:COLLECTION_SUMMARY Serum and urine samples were analyzed using a two-pronged strategy. CO:SAMPLE_TYPE Urine CO:COLLECTION_METHOD Fasting blood samples were collected in the additive-free sterile glass and CO:COLLECTION_METHOD stand at room temprature for 1h. Then, serum samples were obtained by CO:COLLECTION_METHOD centrifugation at 3500rpm under 4 ℃ for 15min and dispensed into ep tubes, CO:COLLECTION_METHOD storing at -80 ℃ until analysis. CO:COLLECTION_LOCATION The First Affiliated Hospital of Dalian Medical University CO:COLLECTION_FREQUENCY Once CO:COLLECTION_DURATION July 2022 to November 2022 CO:VOLUMEORAMOUNT_COLLECTED 1ml CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No treatment was involved in this study. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared by three seperate protocols. Among them, the first one was SP:SAMPLEPREP_SUMMARY for amine acids and nucleosides, the second one was for bile acids and fatty SP:SAMPLEPREP_SUMMARY acids, the third was for bacteria-derived metabolites, Details are shown in the SP:SAMPLEPREP_SUMMARY uploaded file. SP:PROCESSING_STORAGE_CONDITIONS Room temperature #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Amine acids and nucleosides were separated on an Acquity UPLC BEH Amide column CH:CHROMATOGRAPHY_SUMMARY (1.7 μm, 2.1mm × 100 mm, Waters). The mobile phase was consisting of CH:CHROMATOGRAPHY_SUMMARY acetonitrile-water solution (9:1) as phase A, and acetonitrile-water solution CH:CHROMATOGRAPHY_SUMMARY (5:5) as phase B with 10 mM ammonium formate and 1% formic acid as additives in CH:CHROMATOGRAPHY_SUMMARY both phases. The binary gradient condition was set as follows: 0-0.5 min at 0% CH:CHROMATOGRAPHY_SUMMARY B, 0.5-12.0 min from 0 to 40%, 12.0-15.0 min from 40% to 70%, 15.0-16.0 min at CH:CHROMATOGRAPHY_SUMMARY 70%, 16.0-17.0 min from 70% to 0%B with additional 3 min for re-equilibration. CH:CHROMATOGRAPHY_SUMMARY The column was kept at 50 °C and the total flow rate was set at 0.3 mL/min. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Waters ACQUITY UPLC BEH Amide (100 x 2.1mm,1.7um) CH:SOLVENT_A 90% acetonitrile/10% water; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 50% acetonitrile/50% water; 10 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT 0-0.5 min at 0% B, 0.5-12.0 min from 0 to 40%B, 12.0-15.0 min from 40% to 70%B, CH:FLOW_GRADIENT 15.0-16.0 min at 70%B, 16.0-17.0 min from 70% to 0%B with additional 3 min for CH:FLOW_GRADIENT re-equilibration. CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 50 CH:METHODS_ID M1 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Ten levels of working solutions were generated through serial dilution from the MS:MS_COMMENTS mixed stock solutions and prepared for calibration.The metabolites were ionized MS:MS_COMMENTS by a TurboVTM heated electrospray ionization source and scheduled MRM was MS:MS_COMMENTS conducted in both positive and negative modes. Polarity switching (for MRM) was MS:MS_COMMENTS used and detail information for instrument setting parameters was shown in the MS:MS_COMMENTS uploaded file. The optimal parameters of mass spectrometer were as follows: MS:MS_COMMENTS curtain gas, 35 psi; ion source gas 1, 50 psi; ion source gas 2, 50 psi; CE in MS:MS_COMMENTS negative mode, -4.5 kV; CE in positive mode, 5.5kV; ion source temperature 550 MS:MS_COMMENTS ℃. The mass chromatogram peaks of metabolites were extracted and integrated MS:MS_COMMENTS using the in-house software OS (AB Sciex, Singapore). Each peak was MS:MS_COMMENTS automatically identified based on the retention time and MRM parameters of MS:MS_COMMENTS standards, with an overall afterward manual check. And the quantitative results MS:MS_COMMENTS for each metabolite were calculated by correcting with isotopically labelled MS:MS_COMMENTS internal standards as well as utilizing the standard curve for each analyte. The MS:MS_COMMENTS wiff file provided includes all the samples in the batch. The sample names and MS:MS_COMMENTS sample ID are consistent. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ng/ml MS_METABOLITE_DATA_START Samples SRN1 SRN3 SRN4 SRN6 SRN8 SRN9 SRN11 SRN12 SRN15 SRN16 SRN17 SRN18 SRN20 SRN21 SRN22 SRN24 SRN25 SRN27 SRN28 SRN29 SRN30 SRN31 SRN32 SRN33 SRN34 SRN36 SRN37 SRN38 QZN1 QZN2 QZN3 QZN4 QZN5 QZN6 QZN8 QZN10 QZN11 QZN12 QZN13 QZN14 QZN15 QZN16 QZN17 QZN18 QZN19 QZN20 QZN21 QZN22 QZN23 QZN24 QZN25 QZN26 QZN27 QZN28 QZN29 QZN30 QZN31 QZN33 DZN1 DZN2 DZN3 DZN4 DZN5 DZN6 DZN7 DZN8 DZN9 DZN10 DZN11 DZN12 DZN13 DZN15 DZN16 DZN17 DZN18 DZN19 DZN20 DZN21 DZN22 DZN23 DZN24 DZN25 DZN26 DZN27 DZN28 DZN29 DZN31 DZN32 DZN33 DZN34 DZN35 UQC1 UQC2 UQC3 UQC4 UQC5 Factors Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health 3-Amino-2-piperidone 582.2272892 372.0653523 1346.307432 775.9683006 845.8620606 1188.411056 1742.359448 1907.03489 1372.536407 1202.985339 529.3279529 1083.753725 1250.431982 474.5954759 276.5722067 1738.106916 613.1046228 923.1088088 909.7541794 553.3596391 1058.950764 536.0082161 264.1078079 681.314331 1515.028053 1466.363484 1619.791831 1675.05402 599.8155353 235.8485368 628.8618724 674.2156452 902.0094146 2694.542187 421.3101659 337.1925961 2405.729414 1517.046083 750.0319834 1272.719251 603.3188933 3655.509162 369.258988 1193.665235 1130.959903 877.7638028 2680.325645 1727.50678 217.7420685 2345.716812 1119.073126 937.3035475 1349.893483 277.7507174 403.7439648 519.4300271 1367.64655 924.0455367 333.4642813 415.4105023 1161.843063 1329.735763 1009.472533 1341.607535 319.0619328 1087.546732 1045.732038 1657.194957 1188.335486 1405.731004 666.2363763 1777.548271 2630.821512 1405.069462 1544.223945 738.9011305 793.7327543 834.2933962 1598.37821 1415.508219 581.8017597 2161.77299 1176.657776 595.6654753 773.0478333 1060.445499 373.1805787 681.2801182 1465.137354 417.7229808 242.1561253 1070.820298 1066.297198 1202.283305 1145.929928 1179.451632 N-Formyl-L-methionine 69.4681876 5.643686439 204.4352356 24.29857044 49.98333614 94.78215071 161.8605493 195.3047393 63.37046814 122.430271 68.07734021 713.5977732 97.82726042 131.6652364 20.44744811 248.8090763 104.5852107 29.15990143 87.18962719 76.95883768 912.69225 32.7182686 69.43507597 17.56448123 62.1675103 75.85741716 227.2387042 111.7797199 59.86259401 39.76382871 50.37228888 65.17693247 73.30747877 64.12489003 26.83709795 35.39408723 70.08132822 137.7232625 29.40338817 102.0921309 19.00415832 188.5784914 69.3877118 57.808501 90.75198577 25.46768123 77.87910662 43.32016019 38.9603131 109.6316557 105.3904386 114.0300259 77.59384969 38.3343344 5.291217325 115.8929362 106.6527008 136.7623275 38.02710775 23.17563332 119.8636733 82.7874001 69.718364 135.4885879 34.82415265 74.16644795 77.2378761 149.6495608 128.5520326 77.33017757 45.39331678 162.0021409 135.5277598 32.76220594 44.39971207 83.10442124 75.54879552 92.95444399 141.5694295 37.88746017 40.06824415 89.29177039 26.00836926 48.63876615 46.95036135 76.47249316 42.71377856 76.95765299 63.89206113 97.56828015 35.80168413 69.40263024 66.73646767 75.3086386 78.37872843 70.16640819 Niacinamide 306.6451241 298.9869923 483.8445931 136.239963 172.6218582 196.5691083 473.4683008 119.2073729 278.7175697 45.08578729 184.7606905 207.9626851 564.4058367 1046.89594 120.1530264 753.3402103 430.0725489 119.4555438 254.1811624 195.6359658 198.5418133 3070.781091 486.5148621 443.0999763 432.0081955 1929.117618 199.7151461 371.0107888 207.4806186 97.93764889 376.6790059 575.0277262 252.4576655 327.0189603 50.46593039 451.6280307 171.9871334 355.215956 262.2700646 267.4136551 30.4019465 705.8427848 119.2704582 211.850445 176.6718391 196.1288302 261.624388 76.86598009 124.7683947 170.5085204 597.0994695 85.85737489 178.8439004 100.6826822 114.4028084 789.7354759 805.8469341 153.2228393 43.74800321 204.3002192 395.9103804 172.9227541 232.4260949 149.4489356 108.4594831 170.6637434 290.6607448 21.82811195 145.1071689 268.5510681 230.9590729 504.9486774 517.1019515 109.2505235 219.7823678 195.8542327 99.19581367 185.0851782 408.9430397 252.2329938 147.8052473 222.3623261 107.33642 343.6266476 236.3323592 252.8518887 27.49799659 215.1449931 318.8264618 142.567429 75.91618397 279.5233654 297.5296869 339.9900928 380.1137783 363.9181789 O-Acetylserine 2894.351689 508.2110464 4362.300746 1403.236798 712.4616022 2459.287598 4233.508134 1839.358448 1764.6668 5359.917244 2671.447856 2864.470722 1845.690473 819.729435 648.5891658 8518.871135 3772.421428 1284.767432 1902.499933 2343.113384 3243.460236 1999.44728 1723.3002 1409.970199 5396.945135 3079.83873 4955.490364 3215.506979 1855.139492 1600.734898 1242.330829 2264.608419 1190.152395 1931.726931 693.4962586 1245.689829 1572.973291 5051.581122 1437.844702 995.9574588 1646.492724 2141.151251 1113.735481 2024.698103 4479.652835 1845.134774 2350.217645 940.6833413 1593.2123 2552.310102 3353.162276 4502.059134 2193.666198 1764.671813 603.4742936 1897.429374 2388.630797 7276.553133 1566.105673 1936.631265 2582.8668 3505.255963 1348.32719 1833.418128 854.8415267 5112.356482 3090.375548 1906.272551 2807.959744 1959.686897 2725.342276 1490.32049 2891.270277 2119.64777 969.7330686 1540.959596 5313.767141 762.5753043 1697.257753 1139.737401 963.2155887 2252.135236 935.7321906 942.645399 1520.844675 1549.302489 718.6092243 2332.681109 844.5550472 2685.080061 1147.547536 1938.046166 2138.574812 2643.85056 1989.374868 3103.563664 Ornithine 1128.369788 614.6958602 2144.244498 556.1059344 1461.852117 2874.532882 1352.976417 1678.79506 970.4779215 1550.976143 3789.065064 1116.162592 722.6648692 629.654596 446.5893829 2894.283974 1337.735815 2746.209607 760.1062126 355.0366604 1072.043043 1720.943248 1090.659567 840.6094459 1225.010135 2400.452271 4400.355941 1432.024336 1316.300905 469.6863444 791.8757254 679.3594954 802.0129604 3182.224546 407.7726908 284.2197301 2022.908989 3549.49498 552.5172953 828.6924088 802.8029274 967.4341717 493.2200286 667.0411247 1132.95029 626.5365579 1755.182849 2432.333397 1144.170607 1559.14155 1151.159286 678.465665 1408.700647 504.3051148 427.2440152 1343.285095 1332.305088 1296.701347 1283.911984 710.0711712 900.9040522 1210.916307 675.3099942 1592.540014 293.5852161 1306.339257 3174.094273 2082.438411 974.1742201 909.1176361 399.4035088 1946.239279 3842.229903 921.1213184 983.1080002 1043.247522 927.2543859 762.5027823 1382.665247 1373.033148 670.8274973 1534.351195 784.9194105 582.1340758 914.8968752 1759.069359 390.9475519 817.5539732 819.4757789 223.2557764 285.1224371 1400.98073 1489.82817 1251.72184 1215.74696 1177.595689 Orotic acid 3703.980871 1354.034513 8998.357439 737.9562356 898.2880098 4430.121682 9730.017573 4196.071566 2724.701918 4950.768958 3181.141087 2248.856977 5541.541718 1130.40731 644.6418619 9369.413168 3562.635893 818.0500786 4875.637919 1672.713017 1797.646821 3406.75411 3199.602714 1966.975126 8012.9175 5926.058548 6883.807755 6233.069532 3895.176126 381.8820392 4199.66648 1004.125264 1660.261998 1959.647524 522.6432406 786.7146812 5522.313743 2193.858059 955.9118351 1251.898141 1918.736569 4043.722942 2261.60386 2190.164837 2299.603223 1328.16753 3284.205174 1524.796266 637.1558775 2250.320695 2160.276887 2512.223936 5394.509536 1101.098899 677.5120169 3828.460315 1220.298539 5495.912256 925.358926 1181.920291 1804.314861 3916.031859 1302.31257 26607.64181 976.7787187 2952.187763 1547.750508 3251.321362 946.8621992 1466.800952 405.6907635 4977.642041 2193.624892 1569.691559 1407.00917 5343.701515 2280.629667 1244.215001 2743.094859 421.374937 724.0304626 1430.323308 1850.578344 762.9484925 1141.749752 3414.291361 630.9717757 1315.21175 1295.724792 2249.091937 1250.123886 3503.044322 3552.082414 3177.622184 3270.023246 3243.102604 Pantothenic acid 6078.216383 7478.691424 8485.226849 11130.47866 4400.619749 3643.422789 23008.09565 13623.75071 9491.529538 10269.46193 6221.222645 1846.370703 17688.9293 6597.95854 1067.807048 16564.3874 7079.81072 2707.512508 20986.26223 9234.716738 24330.55161 19677.36042 8479.804265 17623.65635 10189.11981 15308.97322 13168.29232 18911.29713 6691.023991 2010.471665 18093.78054 9954.63432 13204.03089 10524.98932 1153.372193 5298.406236 5858.924265 16625.11911 5793.286339 17694.78207 10848.57876 20555.04047 9103.842688 14056.62737 6179.67094 5128.92069 8184.960591 3790.690512 2259.550481 16321.42897 21161.75526 9469.107035 10539.26425 4777.803262 4957.458747 8848.966873 8812.625752 6877.132268 4112.065112 9875.79054 32489.41225 8838.299848 4253.519906 51642.67929 1941.393462 27190.37207 2829.944325 11203.53418 18161.62004 5908.748226 4702.718608 3913.25261 2561.796473 6665.509321 5684.813926 31334.27214 10499.57078 9538.060318 26981.21401 5569.458795 3861.177291 72829.64815 13489.39297 11160.50796 10268.87431 5313.479857 3479.879725 7773.115202 10683.23162 9528.887813 2803.612782 15547.21917 11416.2253 12843.67218 11389.55346 9921.611573 Phenylacetylglutamine 110167.3413 21872.26274 796568.2838 223208.296 164577.8964 77416.16511 289271.592 644048.016 139920.7094 81366.01482 189990.8914 381706.5767 250477.8309 95025.67093 44896.78033 943300.8555 230368.7434 356959.2309 120321.5526 198164.7978 772903.8143 161778.8431 82646.02803 79039.9302 402989.9427 120368.4229 313468.2377 720592.8351 723094.0515 101655.4653 366565.6818 409962.2454 150422.9661 264886.3128 175652.0574 129613.4284 149381.849 262976.7987 183570.9604 132077.9983 308636.5138 376747.4589 300336.13 182000.2464 96519.0623 314566.8655 259740.0617 419971.097 19563.29493 73948.02557 476578.451 106774.4271 281275.653 108110.8557 26521.74006 164286.5667 83971.61807 98419.10386 72164.32579 102774.817 450188.8903 79874.87982 51371.96184 211327.0184 32545.6196 216274.6801 69089.61651 222177.8351 207796.9754 84461.12449 78980.15993 235049.3819 320419.5547 50778.24039 72763.38418 183498.0806 201998.945 150298.171 750194.8443 253084.8268 292597.1037 648444.2645 197768.1384 78338.32303 131466.7439 257647.2814 129095.444 41719.25953 175911.0959 128994.498 49018.67638 250618.2338 259097.4497 240441.86 265686.463 264698.3702 Phenylalanine 13125.26034 7715.695108 23463.13067 4935.078343 9646.470575 25921.19131 60699.92555 16537.69569 8682.475676 13992.96631 21399.22073 19249.92153 16508.40035 11545.18192 3495.404829 33756.57953 27643.20663 3808.894966 24001.31244 11541.4267 27299.0722 17681.88551 20300.74378 14027.06092 28430.31284 21646.05828 40728.55313 20221.337 10442.76483 7154.309954 8536.944151 11498.44287 8351.684135 8887.442179 4300.491958 4907.73481 9392.178894 21055.9802 2884.291408 10458.82633 8615.978765 13506.1278 8111.256958 11022.98383 6186.413625 7121.51559 19331.01546 6015.174911 6183.895266 18791.8441 22160.56175 21419.57099 15914.12037 9590.842361 8974.128024 21146.65845 22265.2625 23834.87932 4946.223712 8961.969037 19652.23933 11981.64659 9710.694192 19743.4019 4243.557849 18538.73917 5047.512376 23671.09545 16408.61795 9748.612675 2434.57262 20866.09491 9688.544761 11647.10939 6736.44544 8051.05946 5592.129064 5534.01629 17909.88824 6636.746818 5487.426656 11917.05688 9128.61472 5070.710273 10748.31469 14176.96042 2757.856982 11699.38051 9784.81221 11773.72721 4597.374327 14217.42279 17420.49214 15254.19945 17388.86465 14819.88287 Pipecolic acid 64.7011483 41.12173599 1087.044017 71.64844076 475.0974456 171.397174 400.3587616 573.2813614 81.87256323 133.2500596 92.77802682 703.3118955 1390.910099 77.36479738 31.31790252 167.4112312 159.417687 118.275011 88.24512716 128.9863699 195.3990091 197.2789795 105.8485375 39.2046596 176.2730812 117.7996898 470.4701979 377.6404385 102.3972349 59.32042904 55.51989343 60.9760158 92.17222619 131.3773415 99.74358203 154.29364 73.99469796 84.41114621 36.94117473 136.4461184 143.288655 109.0310644 121.6802289 137.6317605 159.8390076 48.4123513 82.88288222 83.65442698 67.62056379 442.639159 415.8336895 483.0514887 1663.711375 96.11738116 29.23527823 1440.31044 274.0908883 407.7548917 52.69441955 214.4253979 271.0229704 166.9534756 488.4243388 169.9011108 33.42770624 79.62971237 66.0297329 302.6477641 85.42163936 38.26813336 80.6526077 168.8171036 160.8601896 47.03565341 62.8550431 99.44092528 31.10327638 82.03554624 173.5791793 84.55326429 272.0163842 93.40056491 36.24786093 103.3462347 149.4655072 242.2405933 156.231189 80.86566003 67.27746387 81.57451492 39.6639118 202.8831376 173.5155867 176.5330481 153.951784 153.5828727 3-Aminobutanoic acid 1338.213124 119.269549 557.6689391 888.6419366 164.9385576 399.5409692 1100.051917 2477.154967 664.5081408 1013.315033 346.9839082 485.7685172 387.039761 632.9818252 72.26463228 1940.600318 724.1160238 384.9946575 1134.00695 635.9715546 5151.840292 307.3704118 198.4953473 1361.486378 2296.842903 1551.11297 703.6648403 1626.510247 379.9897284 411.970343 742.3127011 202.5078929 622.974974 418.3727804 138.8465236 222.9560693 851.4677931 1798.104771 288.2034902 660.3014242 415.0232194 1960.923398 511.0128299 509.4162469 1361.025991 216.9752898 1369.574983 292.7739771 149.8549773 695.9981114 869.380687 1112.151077 730.6767187 195.6717359 219.5092728 271.3143939 573.6890267 365.3657521 153.3487198 902.0835164 730.2630275 574.1339694 228.3739093 1319.541219 173.884826 1016.257487 687.507788 903.0587342 2802.457052 499.5034975 203.2229466 1921.268642 1193.418188 466.7392153 3759.711199 592.2593551 1266.489297 220.9628999 848.0175514 1280.47416 277.3297138 2197.770957 851.4499919 533.9976494 368.5414099 731.6896876 268.9332141 982.9126024 2532.095815 275.1981568 146.3444958 882.2374199 911.3750933 941.7442194 915.6168801 850.4813438 Pseudouridine 43791.73077 34645.85426 48679.33868 52297.94579 39129.75913 62056.65282 95611.33611 46465.03597 65241.22429 58187.50938 53551.68112 56560.21294 63826.90399 46069.46535 23442.55333 76997.67825 50025.95511 42911.18711 59203.24849 58145.01182 61091.41893 41113.6576 30385.7596 68173.45573 65125.67584 83453.00473 59337.74063 82209.31482 50883.8938 39128.7068 43654.02785 60433.1623 57401.79977 48080.93852 33574.10775 21865.88063 64876.89077 77964.93598 67322.01869 65931.18638 51556.59302 77793.74516 37003.35673 66886.00947 36302.25327 40099.47227 65441.09239 51802.27742 27866.05259 45158.72994 77560.34637 41186.49984 53997.28024 34842.69797 32999.45025 28276.18234 42142.0912 29318.79056 21379.93198 26454.03356 63220.06936 40214.18456 29236.31273 67089.5811 33619.67376 79459.57405 40392.29609 74748.25923 67524.68148 71243.6103 25917.42027 57860.54883 36569.60546 50700.15889 50428.55814 36861.0764 40142.0229 38503.01467 98249.75161 73539.00194 39226.28595 80482.41218 49647.82764 45956.1331 34162.51118 32538.06554 25540.77399 37591.77666 55241.10482 25645.65755 27061.21347 54213.55335 46195.69516 64407.14983 51413.63374 51185.994 Pyroglutamic acid 53633.40729 28682.44849 63312.10579 55813.45815 29758.50427 38197.06907 79147.21319 59811.89968 77689.83813 110452.1408 34897.01731 55944.48692 88483.76995 42574.49336 16378.27243 75301.39128 69251.75673 41747.09394 54884.25161 37636.46229 79995.5907 56811.34298 36589.79623 77814.4326 76826.0345 67632.4378 89318.92741 84253.81903 45473.02351 20618.31445 43271.56678 32484.72951 66768.21766 53655.811 29966.59146 27966.9267 71158.40126 144225.3322 22165.88767 83301.50097 66769.87841 93140.56468 24904.97613 69371.98217 38505.28029 32665.6211 99140.42212 45429.36961 46102.84404 106434.0031 115217.9297 73647.7228 74987.87131 28662.88345 20917.07694 47626.03187 57458.13755 155735.7525 29620.33036 57703.35146 115469.994 60019.20989 23653.0746 136190.7656 16834.28033 98044.9669 37617.94179 133651.9757 128336.6871 79883.13318 22809.15933 83518.29602 61532.39027 79790.37627 55055.81216 110109.2448 43831.5843 42389.94403 88234.36256 59571.79986 22534.25497 176655.5521 80337.87861 30831.25996 44159.31069 55173.18606 21817.1854 78256.29488 65243.56721 35362.17014 17876.23747 60559.15292 69390.36689 71646.87819 64149.49998 63348.95342 S-Adenosylhomocysteine 1935.094868 497.2860501 3595.281669 1518.769697 1033.822433 2565.906628 3332.632718 1705.53794 1807.44766 1691.76054 2374.444104 2419.308625 1864.201764 671.5813265 110.634401 5708.561958 1286.508288 984.7998233 2611.898182 3988.532546 2402.467278 1273.969223 1070.223608 2011.582081 4765.03855 1767.215506 4952.360087 2819.168092 3873.989831 804.5851082 1037.41248 2795.478898 1691.360959 1537.783633 751.6058209 368.1481996 2688.327979 3661.547578 506.8126857 4757.920363 1649.397514 4098.097427 659.765273 1364.618514 1078.599772 753.3175893 2914.277623 3762.141772 472.6236782 2573.048427 2226.572183 1556.224766 1399.467432 499.6941819 310.8455688 1063.623989 2038.333549 2950.935015 300.4935203 473.5293129 1868.468416 969.5868496 728.5160986 2715.654616 148.4241757 8141.968699 1231.337281 3877.480607 1281.644054 1654.370613 358.302257 2611.675789 806.1473828 1248.222899 1796.427692 2047.628514 1051.692972 1060.179794 2166.802703 1587.168804 709.9199314 3132.354752 1717.315875 570.5057083 527.9727957 1230.565903 108.6950071 719.8902087 994.1336247 443.676914 366.6768566 2177.91284 2090.579592 1994.089879 2021.871965 2079.758379 Sarcosine 444.3386131 60.1057236 3129.964954 130.9246189 435.6301091 678.1608559 878.0460131 264.0013669 203.6241975 246.0770315 741.3730558 1124.307057 125.1629302 250.8748441 129.4979972 569.3797256 634.5817626 239.2008623 394.9512563 419.7620532 341.8763323 435.8231565 329.7328754 184.9757446 332.3540684 165.382658 974.6331588 657.1763092 340.0008839 174.5698593 99.73190496 209.4308824 117.3592551 178.0853109 267.983702 201.367732 642.5514505 504.4216286 91.87253967 173.1067406 108.2289287 330.1207105 266.7067731 280.7830682 214.8681919 334.8916245 361.7383879 454.7835547 201.7164986 1164.39779 415.9624926 807.0117773 483.8770285 93.30888521 90.18856137 765.0062313 486.9731584 944.1614578 192.1326094 303.7383383 408.6632175 499.4292838 312.514986 174.6812996 46.35068035 353.6505712 87.11766056 759.564129 316.8053609 237.0940783 98.63066746 416.8093189 319.3651544 164.150594 320.1079999 115.1195695 128.2156979 640.3258593 351.3679691 133.975304 270.6421445 238.7809651 149.2714959 172.6805089 404.5763457 435.9290739 137.8150261 228.7611535 318.1988597 253.5718779 103.991367 381.5962797 384.1052614 346.6855845 374.6428952 443.3936977 Serine 100155.6874 42486.22614 208618.1536 47208.41119 32262.22603 137415.7723 355453.0575 73217.85574 57946.93535 71241.78041 286370.069 144961.8536 61588.52818 31946.0846 29074.52732 383219.5446 169352.5861 27191.70795 88706.96495 46269.35623 68907.15776 109509.8801 94723.17509 87004.72371 191833.263 261213.8384 155706.1669 106971.4165 66099.82756 19451.90558 61120.62079 29691.49123 38615.66798 72902.19215 19313.34003 36222.10585 51905.23207 193079.1057 32277.15948 40691.46707 22126.08838 93314.13112 30100.25004 62247.66926 37676.47718 59387.92691 140184.7137 33103.97194 49500.40349 109869.6087 106200.1106 60482.79904 101367.9488 34098.05257 24872.47422 105952.2728 39256.39296 176232.4122 48711.2651 68611.12788 107774.582 109983.1014 39011.26604 88944.70103 15079.8876 65870.27604 59301.70269 106170.9217 89469.30607 64234.60443 29578.31794 74102.2092 71067.40356 61581.77772 47916.59099 60855.39786 69563.21116 49410.79841 91382.51572 49133.15348 18668.15112 80703.73493 43490.56831 31365.21582 47510.68933 99046.21912 24019.93057 117546.3137 56308.15614 95877.4045 20012.64674 78358.6358 103736.5846 86027.73448 98183.19026 101336.5828 Serotonin 322.538039 432.1104143 204.134001 76.84677006 169.2886877 237.3920389 594.4396229 250.6713517 356.1554473 121.169246 211.3973017 113.824796 358.1359874 243.8162347 49.39319733 564.577327 173.17711 55.64887318 671.1029344 186.8123816 876.347667 693.2671067 101.7095266 555.7842251 919.8751526 555.1688626 201.2879485 1120.49635 1538.877908 49.64256891 437.7464068 170.4838564 841.3877124 748.8362744 42.50398339 213.254053 378.1779662 1229.882505 216.6403141 589.7580695 192.2977503 490.9769594 148.1552429 568.9987419 166.7294695 281.7050966 736.8560596 269.9188488 82.96585207 849.5627625 757.8816085 769.6948654 400.8466661 154.4308315 163.3560114 107.1686253 145.0199573 264.5069158 234.4534208 177.4662117 554.1041413 354.9946028 226.736792 3548.843602 55.93416905 409.8593739 488.1152555 504.1418527 433.8008068 698.0842376 120.6566163 762.4882338 323.7324116 547.5943778 874.7332211 301.7918977 327.8947482 316.075109 1360.468073 449.9145784 145.5417045 1792.348608 163.2276203 193.7700644 213.7731266 166.1746722 89.10529612 380.2552124 524.9622704 219.8802697 122.2394794 512.5413713 394.3538842 463.0631317 397.9447289 442.1750824 Symmetric dimethylarginine 97425.02786 53787.47365 128661.1882 61581.04799 33007.03558 56743.30124 130922.3384 103925.0132 126212.7721 107354.409 74027.33268 69623.97958 135540.8511 60167.59971 13634.05316 211346.1574 107473.3199 37301.33947 149566.4442 74661.48616 105715.4446 126848.2277 56161.02618 140970.5094 253038.0945 137334.8102 151917.9489 134922.2264 112618.9605 39760.85958 88426.27286 65479.98436 89476.03791 134392.7802 25063.61311 46184.53423 83160.22888 147028.5009 27289.75236 79608.69904 72013.68717 144931.6148 71924.67992 82744.75388 42344.99241 43514.9966 174068.2097 55822.0615 33449.43505 106474.0827 171697.1511 114950.7562 110063.6435 38873.9383 32010.27806 77187.2663 69005.07256 130256.1039 28362.37495 54046.83845 149904.5284 87952.85197 49041.36642 147225.4421 19523.88671 108237.0329 80074.9792 187255.9686 97863.79355 107716.6488 31833.14002 117297.4169 60615.14475 81420.14042 89085.05142 133118.1227 75305.53336 77810.74628 170512.5324 102100.9121 24161.27324 123603.5603 107275.5669 33296.15226 54119.07384 96340.0402 30906.42859 73069.25895 71376.61017 41979.89475 28208.75764 124503.6237 124238.0041 96809.74046 95811.05693 99697.89964 Taurine 200853.2874 33184.3774 80631.18723 98679.63782 82599.19772 108505.2601 164504.1215 81380.8286 271194.3604 31690.21056 124799.3509 43435.51793 98484.92968 176099.4999 4485.673469 482522.7482 155765.7148 66770.11466 154532.8327 147710.2089 320051.451 197858.9157 259213.6704 177095.6774 319934.2831 23529.73887 108030.6384 178372.2283 184937.3843 50978.46312 91345.04839 154301.576 51645.64784 278126.9911 24853.77787 24353.82166 90822.40358 410459.8922 44134.83208 32248.10834 188597.6688 164882.0635 178441.2612 273448.1714 108618.5387 73176.67166 176891.7029 86604.94321 40043.52756 141758.0131 185182.6202 260300.5409 190476.8569 63653.82634 73740.37889 173587.0362 26068.79495 356878.7253 51741.35025 150320.4075 304629.4311 257247.2136 26537.05156 155868.1465 17343.31287 426561.4962 97153.46097 22521.72224 148811.328 318109.1444 5948.894331 193809.7705 215846.6825 272099.8128 54978.092 172759.566 109342.7533 82951.84894 244490.0695 18341.72526 27699.54845 263549.2197 106620.7824 36977.09627 64691.69586 161584.4201 37408.68378 113670.8323 63553.68717 120579.8547 71223.82611 148031.3096 146634.7979 153063.6645 142147.3443 156440.4415 Threonine 26122.76141 24101.03747 91508.37572 5657.831278 16053.95008 45857.50872 140330.2112 12653.27949 14993.2677 23702.28934 110436.448 56676.96957 20115.28655 10130.47283 7859.825161 110088.6493 58291.86841 5986.77406 44157.96429 13439.76626 25163.41314 46605.50621 59140.21066 22870.27447 43272.9502 133276.1462 77135.6495 29582.13921 18338.60542 7652.323387 11542.1986 20540.04847 10836.43816 18663.75983 5132.111748 12382.78341 16622.36478 33602.65327 9683.31765 9880.32004 6250.208001 25306.56772 11462.97929 34984.65281 11908.92197 20925.65632 30074.50569 11100.84215 18956.27954 43127.50452 39640.43798 26344.38956 35353.47604 15762.81271 8247.540893 31630.18493 17457.50673 77838.95788 21497.00544 16004.07171 32225.28822 39042.71529 12570.68111 30501.36039 5571.578666 24949.29839 14761.66884 24882.24941 27553.50538 13644.42044 9976.073788 39709.59625 16361.95597 32267.11237 12511.5765 11729.75982 14066.41585 16505.10497 19398.69747 8243.005668 6755.964859 20847.96565 10903.84961 6354.424709 16561.54247 39268.23344 7436.703837 30779.53908 18137.67359 38429.4506 6385.245743 30551.17532 32104.79772 29697.42038 31892.4737 30647.26691 Thymidine 141.6425156 152.8463567 280.8409135 1253.666468 154.4602571 128.5220065 674.3477675 311.7652161 371.4466052 291.9335772 91.76448435 344.7344045 788.2609067 99.63574517 152.8463567 415.1698701 92.87519254 369.6336625 950.6001083 157.974892 152.8463567 290.8067474 113.3549361 226.5047606 332.9609896 78.89315646 102.5880148 397.8928061 1139.075824 209.0569945 457.5235893 47.92914141 297.9984006 339.4237498 69.8986765 82.07124508 268.8827045 588.7095726 197.2548107 209.2722567 173.4661334 336.3209582 123.696931 877.1087122 77.20389968 104.3244569 1374.289708 396.3491067 51.56836239 351.6614431 516.1666904 228.8773112 520.8813997 72.5554276 57.60842148 100.1634029 126.3370095 227.3142185 274.5322846 37.2243222 551.8519218 588.3324999 392.5150215 1686.208905 325.1133397 299.5069281 718.0727034 1145.375515 175.8094976 451.0186721 96.1870149 2147.126326 554.803972 388.7036071 170.161576 1563.334661 2053.384621 147.6998465 460.0444689 469.2602772 142.7087449 566.9915638 349.0837533 163.4468719 979.2222422 575.058561 38.79036257 233.9441689 623.484765 248.4622451 126.0386067 335.4625144 346.0996493 365.1445805 348.8879256 301.9131457 Trigonelline 792.1464472 1139.207873 18481.44463 986.1753389 2654.025031 62.8887658 5594.181463 23618.39873 968.5810026 8334.207865 2769.948672 14157.74876 3973.888423 463.8488836 188.1360342 3786.30133 183.496901 7774.217852 1145.215578 1957.717142 2075.799696 739.3668365 239.5625022 182.618187 1757.532274 192.6776634 16552.65896 8071.096298 4709.826995 684.5625015 1789.311574 394.4036961 11755.57337 1688.733277 2165.855593 237.6634211 1729.271826 2024.815613 1526.023827 10015.0738 521.8636235 4132.679562 552.6021916 7439.619536 7865.740905 906.1804886 4797.426397 3506.879247 822.3162225 7287.839781 7927.027074 3545.396056 6431.269448 291.5763633 76.73613653 3023.396023 3678.037569 2160.900411 1159.135192 21414.95351 28328.43497 4453.103648 14518.8123 21295.9594 2000.14703 28248.00267 10154.99148 10204.27117 10737.56408 2514.530869 8188.102936 13536.05071 4099.286023 1416.072261 3130.417745 43068.68376 22578.67897 1670.141149 15143.00756 11141.48048 9076.956048 15230.90275 3772.897685 13051.92703 5370.74861 12297.01816 2380.432314 5060.326588 7967.310596 1860.811342 331.2324627 9264.157558 9012.004837 9142.31072 9371.00975 8625.5641 Trimethylamine 161.8730973 293.4553858 958.5981295 283.2583244 296.6898637 475.5163844 712.0689264 1069.860871 440.4091322 349.3776154 220.6049724 811.0410811 3649.545687 1069.860871 110.5539977 4887.486365 74.87507125 1197.259425 365.1073373 463.2856894 1385.125505 354.7594617 112.0137803 163.4917983 813.3662706 172.5909549 353.5638264 1550.767888 630.1230509 222.9565179 1944.249591 554.0877156 211.8919715 1400.650048 222.9565179 222.9565179 249.5459181 461.7748562 81.02222134 582.8815734 45921.6625 1082.335053 208.2672054 678.1772418 1881.399316 29.11178884 442.2476714 1009.64054 222.9565179 310.9827345 641.6608411 365.8826125 401.428721 57.35954067 21.41606552 222.9565179 222.9565179 338.025422 287.13433 67.64356843 528.4348111 184.2512512 341.1707928 2561.768217 99.71020168 673.9753465 1665.152709 1292.381581 480.4089881 611.0340546 85.03026597 596.9387411 350.0118691 404.5287889 369.792969 1088.169085 2639.075778 300.4643629 948.6459513 503.9586493 176.0779418 792.3028613 442.8631022 257.312356 374.1991743 922.5948217 0.761621674 98.23539392 200.525234 219.2815034 350.0118691 1087.429011 1272.924686 1044.475909 1235.488556 1014.788847 Trimethylamine N-oxide 19985.72484 13816.846 35294.57868 14601.22886 33175.28227 21449.76894 33702.18513 154954.9194 21568.98364 16012.66588 11683.9583 76601.43517 64772.51896 1538.765941 8040.227468 210528.3357 14462.90331 120196.248 19013.0932 34480.72939 69640.29972 16819.28694 9768.267597 9606.438392 33518.49418 11603.20299 47808.10534 61784.48743 25637.45976 4646.86114 17127.09834 14074.34131 50767.9856 49974.11843 11571.49979 4622.89126 20500.28408 42036.11619 9636.719258 28600.88787 2669.351306 35730.90224 13384.49275 37842.50409 97235.89097 13716.14769 50917.65549 39545.1085 4156.326553 33648.79894 51310.83847 13077.01054 53527.91422 10207.89424 2672.52228 12467.89874 5735.665385 8873.215905 11023.10911 20161.17094 98903.47808 11757.04609 15873.03674 94263.93872 8252.261087 85450.30297 193325.1899 36015.26339 42639.58936 32017.37241 14041.67966 39998.01888 22250.3399 11586.28554 23412.95823 127382.8636 161219.0879 17021.69697 67262.05538 86066.525 22426.52279 119649.1761 41145.21411 22649.04209 45075.55194 58368.46602 6107.703918 7854.878251 39170.45909 15320.78272 10719.2036 42444.28212 43528.99861 41343.38666 39349.58619 40592.74927 Tryptamine 921.9453357 989.2350688 774.4161527 157.0874163 101.4624613 87.54255839 1154.738834 221.7673307 1790.107029 2182.187269 160.5119862 234.2602018 1714.814349 381.4927487 57.35334258 1746.58155 222.654738 58.30892152 2140.603492 282.5505784 1259.745185 1638.899718 289.3241699 1474.4194 6984.722432 569.8001756 223.694717 1998.39358 225.5718231 31.81999635 754.4005168 119.8980562 503.8704877 500.4225445 47.1877876 260.5821297 292.4387547 2265.397963 144.2799588 725.7847512 600.1390255 2375.840574 377.3264952 1049.274146 542.8630285 93.97183564 1238.70475 420.7647037 45.08191718 556.8854657 1230.433794 621.3564683 546.4937468 49.29760145 227.793187 350.4451648 96.96210694 174.4122574 130.0854661 43.58463843 1300.162579 812.9134796 317.7776366 2137.596878 123.994818 929.9231944 711.077177 448.6625238 313.6855877 1588.787865 288.6259737 839.7617144 312.4920103 1773.197311 1249.572374 752.6799255 525.1965987 367.4183418 1274.138915 1208.776721 170.0632537 352.1849269 188.6244323 288.9505128 249.1901526 493.1835168 134.781889 412.2155124 255.6175026 214.6150916 85.23472394 724.5992236 606.9412569 626.6178801 596.6505055 520.6737496 Tryptophan 27731.34818 20852.65262 45071.88457 11129.57875 12797.39354 38786.6298 131323.4755 18075.15573 14871.47708 22445.54314 57911.47758 40203.11471 25195.32347 18795.80765 7887.482147 65806.14392 60793.3553 3289.410395 48594.14914 19822.77783 44828.6062 36967.44954 46840.27355 30613.26862 65549.83398 29158.49952 66620.91334 27397.1762 13101.00452 10901.36035 18352.3282 14653.69296 10480.58246 12957.61203 4602.507489 8101.661753 11758.51405 34634.1734 3740.289092 11742.96687 12939.8233 25555.06346 11528.09709 17559.03021 9071.315385 13271.41899 35320.13199 8600.434775 15569.78248 32528.58231 36410.78681 39236.75179 29469.49787 15453.15924 12576.14692 31893.58704 22078.54184 37043.55306 6241.952529 7575.784273 36106.51506 15675.93746 10065.43454 27946.17373 3296.78983 25885.19499 8655.924848 26788.34468 13638.10079 18065.93149 4066.664512 43517.19477 15315.67794 26522.33758 10712.7778 7546.689187 4529.16769 10043.43974 23776.38936 8358.770103 7997.557124 12847.10603 10494.17978 6919.748112 15296.33815 18522.80865 4429.286798 20832.92131 12044.19396 22652.03973 7059.325955 26937.55143 23824.1195 25861.86975 26964.85208 21798.32808 Tryptophan betaine 1562351.376 25906.73637 141512.7906 437646.2687 181395.5417 123664.1784 598464.0946 566130.0649 340740.3486 247291.065 1046761.922 351101.4337 84425.43428 169460.4132 4028.902915 886940.9277 273056.7913 185120.9219 119131.4067 391305.6075 1548221.494 333311.8206 511199.671 83691.56132 301931.1877 1587018.812 322078.1957 67463.98961 39835.81036 218410.7755 106491.5313 398777.6209 113583.2818 210296.8229 26609.37252 103231.2044 437499.559 282403.8077 107101.389 136177.138 288189.3913 1141277.042 682993.2906 153468.1977 166522.6494 15820.66606 150468.4877 66038.37725 130561.667 75756.44488 364042.2157 591496.0468 536469.972 64185.66213 9911.34949 36625.94442 199986.58 283712.5028 35919.48732 779071.9506 200451.7843 80753.91193 138953.5088 79547.41119 20281.83893 337149.741 301396.9288 118819.1985 336264.1927 266878.5302 82661.38426 355411.2328 106622.4353 94472.85229 182388.2197 110432.0849 74576.52838 223972.9179 66069.74711 60826.26833 72984.52288 81064.5077 67584.36453 114704.536 336890.4628 617343.7427 123092.0948 238657.1425 48459.16329 27478.5499 33352.14664 276670.4719 306892.1003 296340.5868 308971.4383 306171.2051 Tyrosine 22509.0214 13564.93254 37219.15319 6288.466174 12870.20669 30184.71392 141540.2293 19933.76603 13733.50768 18361.08794 59285.22546 29423.20686 18453.5464 18109.09056 4839.255284 41225.54911 42468.72683 4106.530896 33112.63353 14387.75932 29522.54037 28510.66517 25726.51208 27593.01602 28891.10211 30334.39649 68766.94901 23642.47036 12035.38574 7613.332376 5410.4794 19149.40422 9789.250606 5231.08889 3767.759224 8419.824686 14402.60231 15840.78662 3778.529315 10219.23713 12253.03888 25259.79214 10527.09807 15055.01787 11618.5046 12676.1538 18495.03179 7623.902185 17046.44073 27304.02902 26108.79875 19769.34335 20000.76235 19337.21998 11857.65704 26407.37195 22928.75751 43996.27504 5041.53447 8063.296027 46766.25338 19097.08162 12639.62691 24232.93209 4579.990959 40447.187 8063.887952 46382.37714 17050.2486 18978.7813 3416.442893 36514.59789 17478.12872 24114.82184 8799.921733 7648.033466 7163.663593 9913.446511 24475.73282 9124.778069 5745.652054 13610.97692 11296.2777 5331.602096 15016.17084 17217.69446 4473.786562 20588.21918 13276.8343 22036.99516 5796.316031 19482.59903 23725.94559 19698.612 20532.99805 20181.12236 Uracil 2634.667983 1626.594294 3088.957811 3008.958618 704.0749189 2569.511956 3389.756762 4505.814575 3417.270773 4185.240012 2059.866456 1032.028688 11248.11597 1696.445844 803.4774692 2678.134691 1537.125275 508.6970808 3766.483712 1065.589819 5476.947765 3681.082466 1524.668811 4458.529795 3354.382747 3259.186985 1016.385047 5357.681144 1311.139869 979.2714617 4439.459139 920.4103371 7852.779368 3258.285612 354.6573326 3038.100145 3046.396341 9818.29965 3301.144061 3094.593429 752.7024642 4363.194587 1080.443574 2504.441307 3386.977162 2000.225738 4787.811963 1601.714627 650.8189903 5318.652706 7826.727562 1422.791916 5377.141194 796.198164 869.6150838 2454.593281 772.8218647 1135.395781 1695.935961 905.7044009 7662.353977 4439.763981 3784.11231 4764.979949 2020.857786 4216.283825 1264.352867 3579.587254 6099.22972 7468.068677 2210.667406 3794.672567 16556.0012 7804.010658 3770.940471 1670.820461 3299.707117 4714.608916 3175.915527 3212.501794 2077.944808 8834.450179 4529.552704 2919.00278 4911.248653 2195.585457 2975.968074 4144.075084 10682.07923 6480.430251 2415.408513 3227.642815 3318.873859 3423.765267 3414.14316 3284.333645 Uric acid 199834.7414 125910.1582 192870.7252 153448.0951 152915.5616 149408.3361 227617.536 189081.967 183514.7634 179059.673 175484.1914 185139.859 205788.7164 172111.04 117817.4122 222049.8885 172804.3899 140323.0094 160120.9686 176897.8543 155290.7886 188088.9911 136426.262 218242.2268 190834.7824 198481.1336 191550.0821 186278.4007 198684.1714 155965.7953 186348.3258 143601.175 185745.5977 176359.0359 130464.7842 138665.272 209894.7446 210543.6883 257301.5592 176692.099 232422.5561 236881.301 161190.9785 200096.4975 194715.5153 155603.0593 172351.8578 172152.6093 140296.5051 196600.0963 197540.8145 184411.1626 220418.8093 180204.1647 126581.748 138231.9781 182371.1301 210553.012 145352.2661 198943.3504 196805.9657 202236.7547 183238.0669 196610.8209 212093.5531 228902.9218 176708.3485 179812.9056 200070.6274 184863.7637 138606.9256 215848.0398 182771.4894 203929.8472 155917.6858 179039.6976 202103.0026 195926.506 182283.7662 177877.5182 171012.3331 166059.0559 166436.8205 204954.0677 184494.3065 210422.3459 148166.6729 178568.7847 218702.7636 130959.8921 162266.9748 162383.1273 140805.8242 190615.609 157866.542 156672.4137 3-Methoxytyrosine 358.2155066 170.2154367 496.7752967 146.9745155 230.8339357 368.7041766 1812.311398 1047.945315 184.0818642 275.4898219 371.6846467 331.3904085 524.2865623 270.4569212 941.0240136 1797.423975 327.3786236 86.98033738 613.8925506 228.7536093 567.8276642 444.2212213 330.4926369 456.5939127 1300.900616 542.8081929 941.0240136 433.3960565 178.0810324 157.696161 173.9628563 200.779667 46.91949093 230.8061982 90.22876342 124.9093393 428.8248326 790.0879457 57.25246391 132.8931284 229.2004401 691.2672898 85.78650041 273.0373448 162.9413038 362.5154759 548.9594586 174.8355058 143.610238 504.703001 565.4884378 1471.995666 485.4186397 146.5979612 56.827937 157.696161 254.3808552 889.2905309 89.07088332 366.6909823 937.6781601 471.6372414 416.888654 407.2304572 230.1222904 736.1062739 340.5332979 667.7979659 339.9617531 299.4886605 72.56858339 431.1644673 201.1221779 374.4844614 266.3404325 319.5307921 272.4506503 133.1059051 437.1975508 203.931195 230.1222904 709.7344128 239.6472434 61.43369058 141.189682 330.3504407 70.50040224 306.7467698 153.458578 230.1222904 60.57047106 415.5434177 315.1383711 379.8660337 345.0340882 296.1952263 Uridine 463.8461918 324.2298141 1622.537558 597.2142257 325.5937289 1619.124605 1038.120849 6467.60706 689.535952 311.6227784 392.7907197 634.1013518 1660.501345 331.5843699 365.1191611 2430.9394 607.2418341 393.0189139 809.7078569 604.0230163 2455.57949 1065.980836 411.6702499 1444.082202 635.786302 429.9076062 1054.668872 798.7528454 681.0847258 563.0121859 366.7937417 279.5083741 1394.254138 739.8741495 426.6415091 309.1822033 683.5712515 1004.580828 375.627912 854.08693 108.1410855 1086.757376 278.8603074 771.903371 687.7367564 405.6703803 1046.378164 258.9734311 199.5269325 985.6788347 1742.735343 1380.659966 689.7678483 392.6452189 188.5788316 861.6244651 632.4112802 1196.672188 308.2639258 136.6795859 1751.915178 466.7263528 578.9787336 1085.114323 338.6457829 907.8389308 237.2823501 785.8338096 946.8594022 1118.381449 205.0540291 894.8873909 6717.609536 1128.196688 498.1469604 376.5257252 413.0015811 695.9081212 882.9165084 343.1738311 333.1224653 1096.97683 406.8610024 602.2290098 1031.174708 490.0907168 136.9373713 634.0197763 1169.152221 1340.209215 221.0266109 864.5845782 842.0698299 997.8502784 832.4214901 771.3461861 Valine 7353.766118 2641.886066 12654.98153 2999.737538 4793.698108 13335.97259 20485.87253 9371.931464 5189.087714 8714.26187 4953.856158 6482.965635 7877.43074 5601.008205 1130.760753 20314.16294 11770.18613 4188.245979 8770.755307 8375.197368 18033.42316 8840.527755 11052.28857 6772.508043 19651.73409 8016.130825 20647.90124 8293.159675 4384.198226 3064.541751 4751.825171 4905.742188 3969.639822 6576.955537 1894.682624 3570.386035 5810.218123 12045.91535 2205.682641 7242.195666 2082.909651 12035.09602 6369.987303 6085.086705 2961.153552 3203.069207 7326.289814 3138.852952 2132.2498 8030.84915 10223.14438 14621.0768 6646.027883 3677.961183 1948.662089 9759.699091 13669.00485 12878.27635 2993.602708 4422.219507 10044.5423 4951.034913 7401.91619 6877.694307 1285.575337 9698.118599 3240.057355 10500.45354 7201.710715 5001.881385 1622.361647 7098.665844 4449.712334 6496.886637 3895.511762 4977.852423 4270.162697 3832.087629 9950.433221 3814.909588 1905.583519 8091.941067 3953.553228 2723.705939 5321.639476 7519.127935 1281.832786 4732.950405 4453.950812 6113.854383 1928.397864 7393.958547 7334.757943 8078.418327 7169.915444 7572.458843 Xanthine 76279.65809 34091.22576 72478.76782 43948.97947 10710.42955 32671.19455 226268.5151 37626.91216 63935.0943 165148.7245 47740.79585 29871.19768 294478.5628 30275.17284 7111.471884 126963.2348 39748.73495 12209.84666 94676.00642 22373.17655 154195.4068 76554.82824 34046.18087 149402.2667 76784.55444 186004.5651 48053.82255 78449.47701 66110.48778 11978.01427 61650.4875 28207.98017 104260.0176 101862.075 7163.662017 34169.25161 56583.50371 106061.4729 24835.14334 102799.2685 59618.8709 127949.0433 32390.35208 55855.93807 45531.42645 43845.54271 109041.5175 28416.59408 21630.89797 134252.8118 114877.5111 78165.08966 76295.82951 33412.74864 29879.03847 44387.82581 23347.61206 161496.9304 16919.93817 27237.46293 135220.6948 56781.46568 37141.82619 458045.4424 12979.97041 93147.1282 25415.85329 80112.7475 93631.13561 108999.1853 21710.98163 106568.4159 37722.07725 145082.3881 171962.5909 45153.07861 42110.80088 77546.57835 117505.8312 46591.67852 15759.91248 223383.0484 53108.54469 35514.91576 68525.80933 46972.90414 20116.65053 81381.8796 109436.5216 41882.05406 20582.89113 48597.13679 52759.26004 59456.42648 62184.28277 55797.65964 3-Methylhistidine 4452.354425 2854.284148 18663.5027 4634.552746 4167.74944 1101.484893 4938.121533 5756.290761 13664.71494 5301.583696 1683.867738 3488.400129 25680.25422 3136.721352 303.0154483 8276.445263 2576.422564 8342.689674 8004.695432 5921.616242 3696.15159 16095.29067 1377.444327 6081.184187 30143.16677 4180.832748 3014.256232 28299.69706 12240.92407 2808.272099 43235.12185 2307.093238 3653.574292 13399.21734 2307.213302 3551.45784 12092.42486 145565.728 5348.564072 11576.65062 3622.035549 10169.22342 2018.523993 18376.08421 14856.35986 14199.84168 85091.83633 12233.12811 2359.218675 6489.013835 19298.2639 4720.955808 8759.230764 2177.723625 1401.401638 1998.805505 1812.159558 6926.284658 37025.23036 19298.26853 62870.98613 23013.83447 15610.91001 8827.372287 6758.043357 13138.80464 34456.67266 70245.04169 8827.728905 23923.51676 7888.25359 157796.8176 11885.904 35725.33354 33448.56655 18329.04444 35301.85991 35485.63864 37950.40474 142134.3807 23966.89081 4091.337007 4013.459722 44920.9502 44460.69805 32006.86571 26101.35014 3275.579841 7999.118863 3863.853442 14970.12308 24728.27202 23178.08311 23788.7235 23794.08976 22812.5664 4-Acetamidobutanoic acid 3468.594534 2009.203172 6352.940623 5407.618229 3236.832075 8355.947653 3594.153439 5131.608898 6015.693329 5166.669396 5771.11418 6559.303313 5412.91475 3542.339372 1950.868085 4664.041113 3732.911862 4501.719614 5085.642378 4841.264917 8764.534025 6848.424748 5836.802501 4887.695573 20436.38338 6207.040518 10720.77099 5831.403907 5502.334265 4584.896826 3037.326189 14469.64696 3027.18493 3239.73609 4640.433567 2117.603425 4608.635086 6606.785594 2462.515628 2369.915439 5745.658765 6349.786706 3925.204047 2902.74998 2318.996925 2532.541145 5067.539407 3065.671883 4157.12994 2862.824432 3912.241006 16700.87752 4177.019071 1868.577118 2384.51402 5776.077652 3435.501443 3740.756989 1549.953436 440.2507598 4915.04173 3989.954692 2252.752494 8219.261417 726.6355944 4522.786329 3177.342824 5481.172339 4766.022555 5125.674988 1491.692734 6289.034458 3950.877295 3371.184609 4317.629746 3825.154492 4164.539845 3005.803091 6731.887479 2910.076688 2200.952332 11217.24323 4272.685909 1941.988215 2181.647918 3555.542161 903.4875763 3024.329414 3217.58689 2044.847568 1717.365825 3966.528529 4149.84082 4410.448298 4334.005872 4110.130947 4-Guanidinobutanoic acid 1042.041141 254.2513657 683.8524279 439.8539885 229.7978637 389.5796239 2872.683582 523.3784206 328.6392068 581.7329806 1878.250413 529.2325407 262.3526912 467.6402524 204.7655679 1673.118873 867.9096668 454.851121 429.4712282 1821.36708 6043.509787 1555.368401 1744.7622 414.308712 20001.33544 7843.587445 4343.90801 1416.459212 151.5824055 739.8914861 271.8175771 4652.889529 391.6998699 409.6678962 125.5060648 271.9116748 305.637531 440.7190938 114.491698 279.0522617 685.4799055 646.9744426 360.9768933 589.7042173 781.1071306 120.2469535 412.3132167 509.2472218 2340.609847 659.7443929 496.0503228 6791.025467 607.4268052 590.5919839 113.0337064 2299.373737 2906.639064 2647.639852 93.99029942 440.6309106 332.0429512 299.3290027 398.6880417 376.2384418 93.81138776 617.6887235 508.6518454 633.8496555 331.0007097 584.2906844 188.2489056 662.5775849 1342.425835 582.512688 156.8510678 218.2657379 273.5459866 94.79275356 445.3418934 131.9245587 519.2373997 332.650637 195.8463117 167.9970574 253.0291613 2025.898275 102.2062133 180.86848 506.4886691 401.8511099 167.7825557 1375.149398 1478.287564 1541.793262 1527.993579 1541.385723 4-Pyridoxic acid 2336.355674 815.3569691 4197.142666 5631.069481 949.0140041 2184.156736 2300.345456 1619.947091 997.1826742 3237.926586 1774.797959 23672.25117 1490.197345 1590.06085 1335.447417 746.7431431 167.4586087 231.0262585 1014.595094 1581.904593 27168.41377 16866.99058 3697.660108 2598.151264 21116.28449 9560.299643 3953.366887 1286.479774 370.5235501 731.641464 791.814046 835.9232571 955.2674665 724.1101666 515.1156498 724.4162508 568.904953 730.072838 494.3766013 2543.394417 1458.409821 5047.069496 746.8258999 1236.158525 573.7956009 592.8784977 1162.030807 564.1872031 2596.708578 1078.532136 1364.914673 507.0008722 1085.665569 712.901886 1416.798984 3685.627353 27152.47222 50878.65292 205.6979687 625.4981794 1331.272089 341.0399359 303.9094324 6987.07853 270.3194966 917.1944973 3056.711463 1168.468534 1227.441131 992.1669289 739.7117335 1380.153313 783.5835488 647.9026997 577.7984217 3933.293781 655.3064381 376.6512584 2006.773848 1407.353109 699.1223688 5096.346461 876.4257921 698.7900309 700.4708657 528.0134009 464.3176648 379.4517231 716.9059092 616.9175749 216.8789608 5289.369732 4901.337995 5325.44587 5151.09867 5222.751437 5,6-Dihydrouridine 23292.27785 9194.945541 28629.81271 20422.19526 11387.72 15440.44097 40103.76608 27113.17326 27547.31056 11823.88955 17037.02748 19718.21967 37674.96891 15032.52637 5105.282633 35626.32013 17203.60719 10779.42005 27949.22655 23647.0214 31486.47884 18058.20936 10440.02087 20101.40601 41937.07412 24534.05426 22344.03925 36791.19755 24168.71819 12036.81782 14726.73252 15716.38951 22240.30962 22945.38069 10005.72977 8187.100556 25681.40231 39795.99083 7940.036086 22939.20293 19356.27983 41610.67038 10229.96176 27004.44153 14502.97128 11801.02785 30973.1776 15107.09043 7835.421581 25797.68876 28961.33251 19970.87531 19965.2897 9881.110704 7191.299279 12310.24241 16294.10189 16530.56128 6845.565061 3707.001663 32627.9591 15321.62256 11217.50215 41812.40908 4520.249865 29519.20244 16314.14407 42999.13555 22020.21299 28230.42707 7628.770671 33998.01421 18055.82245 19631.45564 21519.38548 23020.40991 17746.77755 16820.32672 30899.0302 15397.70398 9722.617137 31818.44093 22042.19238 13819.65278 14986.56683 18066.99091 6511.930408 16714.0997 18379.12802 10735.49979 6998.437669 17616.94776 20141.06683 19379.3644 20060.03049 19288.33028 1-Methylguanosine 4386.644145 3223.569109 5395.271691 2591.34124 1219.007989 3128.330831 10360.23994 5451.288713 9046.069044 166.8733349 2778.119622 2628.990495 12692.02267 1610.521109 812.0986955 7436.071008 3460.081497 1529.680161 12252.33998 4088.6266 6932.46268 5347.404142 1429.340294 8964.856126 10039.07506 6109.745915 5288.118662 9895.430347 2627.127712 902.4455567 5417.73578 1505.524386 6236.836629 5221.702437 586.2149165 1766.255758 6206.520119 12348.4856 1794.01035 8438.149096 2153.393106 12535.2481 2907.77439 5667.626273 2759.9946 2941.158264 15203.83641 2407.704037 1659.476966 8388.726371 10224.87779 5371.442847 7764.505742 1435.608011 3038.805105 1891.068063 1466.183432 2649.476366 1454.958789 2862.793423 10952.7062 4788.98429 724.6728926 14859.94333 1212.853558 9576.105907 4687.18782 4167.066699 5594.364813 9124.113136 1846.425561 13665.84782 3355.122816 9227.98137 7690.484135 12174.30032 4217.714625 4882.440205 18399.29308 7878.022311 1587.763108 18356.50472 5639.687448 2769.46486 3587.91122 6038.585171 1817.138762 5285.052676 4611.653138 2526.902147 1683.065842 5705.313027 3891.970501 3855.238948 3796.221426 3389.764065 5-Methyluridine 3595.346428 1037.556661 1735.264314 1961.553219 1267.194892 3018.87216 7404.65149 1869.557119 3216.859597 3379.140386 3635.779375 1277.198125 5830.056292 1925.99264 658.182996 4632.468956 2171.018199 574.8355943 2957.678123 1684.702229 2832.001616 1523.418224 1506.423702 2261.116859 3176.151335 2999.599187 1413.975435 3993.197898 2165.637765 368.7535555 1887.588832 1201.052888 2154.264016 1788.242651 293.5435034 818.8367017 3250.832378 4121.796301 730.3153126 2607.384286 2536.841882 5255.296091 1432.72255 2436.559866 1193.242081 1093.926452 2865.881459 1868.927875 1089.910292 2117.485315 2552.463281 2298.094111 2177.562267 675.0815031 885.4497523 1984.376477 1598.240283 2191.421786 454.9062532 143.7683992 3448.05705 1544.936498 1045.618441 2478.212115 466.8826931 1680.148743 1138.101436 4563.808601 1936.224143 2615.923143 680.4287174 3745.777608 1184.531466 2132.894985 1457.803552 1602.874109 1606.228401 1172.426605 3828.143722 1322.490984 637.4772249 3499.372265 1864.536546 645.9808295 987.7009841 1125.983975 1155.61726 2075.957644 2302.836945 1320.750621 1066.211151 1788.069946 1888.093101 1849.848277 1987.022317 1941.282919 7-Methylguanine 30331.14125 20837.24463 34106.07587 23751.9872 11265.22663 14512.94842 53011.77909 18676.43421 58957.51561 65738.51772 20652.30426 18259.01385 77837.0934 19197.0099 3395.873202 68170.90353 25931.41674 9571.095641 70388.25192 30108.84349 29573.44499 45875.80857 11295.71175 56865.27589 60267.16685 38337.2617 32324.13996 74724.04268 39404.88559 9719.161005 33217.53896 18298.06397 36091.15724 37472.35432 4173.018156 11104.73629 28840.44178 65097.2231 12044.49861 38987.37861 24016.86553 71326.72247 19244.22881 38675.16809 16886.50489 19856.84709 74865.32206 18725.24777 8238.483633 51055.44342 57745.85223 38060.11454 42020.35305 13292.22787 17090.33495 18575.81349 16676.98194 30689.71974 8429.879359 19380.40348 27372.19105 27842.53817 10761.9063 69306.56561 5343.69623 55920.5924 30930.30369 72085.42879 33149.07792 36271.11169 10084.8307 66943.78322 19876.45983 43608.20398 41150.67797 28476.06571 25702.65372 24417.68581 51432.60995 45706.55975 10529.67364 60610.14629 27803.77865 14413.0737 18778.84196 33168.83575 7896.172392 26907.09764 29822.46147 11288.93872 7694.288158 32190.40334 26784.53195 30741.07917 26745.96218 24648.98722 Adenosine 2172.335135 627.6611725 1439.51525 2278.145342 676.0373965 1231.467853 4348.643113 1099.91384 1697.888835 153.5392617 778.9081339 752.2727576 4100.163892 1441.647136 25.54367513 2117.139686 1601.843915 68.2332814 2465.534038 1241.277363 2541.330444 1493.92277 378.816324 2837.778918 3554.266135 2462.595378 1537.937657 1017.357065 1529.361069 468.4357747 924.9836998 392.8088781 2292.823423 1933.66073 279.3299053 592.530916 606.1741853 3994.041859 504.3119494 2261.974369 114.2643296 2251.370989 1169.881242 1044.676663 841.7369229 463.2688212 2246.196398 663.9005193 429.0998432 2109.981808 2368.945923 1709.370737 1579.315038 460.1795839 608.2787453 725.3206047 987.3483099 578.2452007 443.1626514 809.0029974 2029.281387 984.1357803 871.3359787 3148.244789 506.5545348 1157.849033 1080.3618 207.1988158 529.6072054 1289.600194 480.8781864 1466.455488 1115.636356 1812.197073 1659.605327 1601.71559 1729.219868 1048.782278 2375.590075 1861.164315 609.4121306 2718.807752 1769.603768 817.5319982 841.3522057 1100.942344 101.016632 983.4824649 1106.812864 891.9118489 512.4286024 1138.349532 1248.451568 1107.717329 1208.910434 1144.616514 Alanine 15674.82756 22643.11954 144753.8956 10088.96519 32357.01557 55879.60604 138998.7839 47732.41396 14271.45903 30252.54968 68848.58062 55710.21195 29470.46885 46273.92817 11167.1946 59971.72536 80548.49301 13260.18431 25346.3503 18710.57358 28363.12734 80452.16807 89130.83942 16043.15064 72800.03071 63474.61219 289000.3199 65409.91126 22726.45906 7155.745198 14066.49457 49143.0757 15577.13995 25435.80392 11495.23834 11068.8957 17248.27608 40728.58423 7001.809876 32564.42189 16017.73926 24320.98 9637.807594 36835.29724 17369.5976 14196.16904 30879.12625 22990.5679 33196.91491 77329.47946 56236.15867 83842.7834 48664.4744 17393.42236 9246.268356 77031.36575 74914.10217 210818.7895 30725.98515 19265.2395 61706.21189 45554.31429 48493.88347 56395.07762 6637.018817 52381.82468 28873.21801 70027.87827 48967.82074 24440.34988 12447.50859 46662.91872 39858.53336 36082.90245 23915.28359 23246.19113 27411.82098 26709.82373 56884.86845 19001.34678 15540.42135 44144.12551 23217.20125 14846.42103 27999.72763 42883.88685 9144.80675 66991.74896 25550.25129 68707.29702 6838.951751 47709.25406 44251.07907 46571.94867 44291.6659 43323.13426 alpha-Aminobutyric acid 2819.404999 830.3680087 2339.691627 1079.494246 1707.371569 5287.603927 17080.76802 1979.794332 1867.384574 2227.402051 2400.706833 1910.297686 1158.985217 2028.900452 329.9456288 20694.84527 5280.563144 544.36125 4137.304353 2275.364358 9380.701307 4020.182655 4628.255872 2187.142645 12793.27414 13252.6128 4947.743949 3879.772243 1132.542755 810.2593921 1457.386625 2977.459285 998.3731759 2202.715785 251.9206446 1826.254355 1675.728465 4777.92814 660.1753044 1108.702894 1608.543379 4653.178401 1253.89116 1340.979208 1139.218684 556.5325366 2554.437204 790.5427444 1974.362786 2090.976942 3922.948662 11307.98639 2679.603505 1637.150065 824.6666927 3708.801448 3112.911188 7343.380325 1098.20487 1840.075021 3473.90849 1688.483874 1009.619379 1351.182638 579.5133613 2247.25055 1242.018756 1722.405749 1431.37677 1161.036269 498.0685193 2805.455507 2719.238201 1467.298573 585.0444098 1300.540384 1213.131496 1422.312298 1891.647543 840.8796987 475.926899 1593.938436 932.1608349 722.2446851 1163.612426 4336.447044 565.1927235 1185.076553 1491.846296 2385.968111 519.0290654 2247.977134 2581.663499 2994.039251 2886.283359 2911.01376 Aminoadipic acid 13963.76345 2048.613471 11369.41973 3831.880627 2232.793071 8306.197825 17795.54223 5241.110632 2239.99162 5292.078317 11041.14633 6333.610826 5042.942785 9279.599742 793.6854279 33862.23277 18602.97226 1179.565586 13008.30119 4437.989991 11548.68367 18832.04904 5547.913735 11370.12383 33776.9444 18946.79567 9618.664426 13624.28241 2725.478336 1674.993864 5992.606968 6345.326987 3249.228396 6826.440869 657.4333076 5363.672032 5702.683023 20685.64239 2490.544989 10377.31553 5556.349636 9749.759885 5921.859151 7229.667164 5708.192393 3880.73565 8369.544442 2867.287873 2855.116553 23108.723 13023.54637 15469.63883 20734.96088 2041.2965 2614.163772 8532.374001 7104.340624 6859.802267 5387.222174 9377.047699 27552.87534 11844.70155 8818.432074 7157.26366 2157.8324 18779.32717 8134.715948 14058.11604 10924.18012 5700.099673 1729.967457 15771.1919 8301.575937 7526.400055 5259.973233 6822.773078 5974.00431 5033.478207 14790.62893 3327.8081 3492.828008 5316.767504 5665.487429 3872.461483 7285.867661 33008.89178 1798.77045 4204.499666 10700.51446 8279.362423 3393.094133 9023.415912 12307.56503 10613.89232 9130.113309 10974.85745 Anserine 583.8962398 83.91134477 3445.471318 105.6051901 553.1339308 132.957137 434.5720624 104.9041838 158.9981011 681.6498423 205.6348707 289.2459407 466.3979372 224.6216195 51.33177278 315.8154078 422.0255048 699.1187126 792.0340648 189.4133382 137.1179136 503.0030189 68.8274897 471.5801798 2392.895007 498.4339918 299.2356472 6462.220747 3206.292846 67.85369076 13826.93088 225.5703189 107.3814284 528.0090301 42.67657239 49.27846665 151.7336243 149788.74 148.2684593 373.6201977 168.7537924 537.2640951 70.80082082 305.6516363 1665.543473 330.1053175 2670.717812 1055.166927 95.65956032 1033.338263 420.2005722 161.1140905 389.7320978 33.19814824 205.2279465 109.7726197 99.55093411 331.1266713 39191.60632 27017.32624 1376.678223 9458.551883 1734.907546 288.8288233 96.7106399 732.4815777 6448.072239 2939.237659 370.2397621 686.1364552 72.72207873 10600.15202 553.87868 1756.222053 2453.50559 6143.482736 356.8757154 518.0555921 571.7973484 1440.839579 2097.299906 109.871318 565.5519676 2025.46221 2191.581323 4360.191347 319.4715136 584.4212262 565.6275342 188.6548346 6978.583188 3729.412394 3715.815244 3586.626764 3376.056656 3595.432175 Arginine 2760.007857 1355.819991 6869.180127 2439.736363 2646.166747 4523.983359 5275.035841 4389.009977 5802.238211 6931.529435 3970.26583 3711.062427 5462.018308 2148.156627 1364.346681 5271.894694 3327.088092 4003.157126 3782.79273 2530.674579 5253.147811 3014.153411 2287.825239 2974.017301 7423.652713 5660.841416 6658.243883 5697.558963 6009.138082 1245.223315 4328.517031 1546.359711 5714.370908 5666.490478 1435.317926 1020.040359 3126.380779 14579.76433 2336.992601 4044.923776 766.5397851 4398.111301 1665.726498 4044.893368 5085.769357 2225.419413 4220.485857 4030.589866 2127.025532 3819.720518 4810.552599 3624.77361 4549.116972 1140.22189 1939.69441 1756.65244 3034.960232 3545.591814 2312.755132 5693.62823 2840.944899 3875.127992 3812.288279 6601.57952 1162.008428 4962.71026 8901.894514 5100.244322 4365.777657 6344.936847 1520.267821 10927.29647 4240.799127 4626.557735 5557.735208 5309.077129 3967.617873 3933.704042 5525.618264 13949.31224 2518.039148 7397.711437 3789.882091 2904.217413 2119.292813 5810.936024 1654.465597 3509.327691 3500.436157 1619.645946 1502.544155 3494.375971 3917.226812 4025.627579 3911.606777 3972.992015 Asparagine 37680.0317 21726.09287 96209.2863 6511.787454 20055.03143 36852.26972 148949.2774 15400.99512 10256.35946 21729.92284 151284.0152 69910.17223 15630.04818 12497.2008 5483.972625 148682.4729 86096.92612 8352.055665 36205.47869 16163.22284 18441.24349 40385.34373 62411.70905 20918.04194 47427.51539 161042.2689 98063.76782 21794.80492 14517.96144 8596.512846 22031.93518 23406.07117 9622.61483 17347.98758 7031.676286 10550.12321 11177.43373 33845.95097 5109.756124 10711.27028 6079.49806 18080.94354 8446.364152 12547.3462 10425.92266 10632.81627 22467.66489 8482.262781 31825.77586 31794.97994 30141.25164 24763.06806 22276.74669 12967.8038 6393.437579 47423.58856 16368.3301 92930.07622 13358.82798 16058.3781 29727.73139 24224.02476 10505.40963 21038.72119 3506.882055 19558.0723 11664.86142 25964.53673 34282.7661 9884.476482 4794.098296 28297.91219 19365.70116 19775.20311 9270.900596 12333.33925 9546.456348 9703.003579 16663.54134 6569.843521 4944.309603 13680.61941 10420.74125 3846.875297 13531.42588 29967.30854 9875.696783 24503.06499 13436.69578 52674.89892 4437.540675 30432.25223 34946.33328 30180.50827 33141.72796 33840.69269 1-Methylhistidine 66491.9433 21575.31653 78085.8527 49863.71978 23196.31427 17476.91324 80707.73779 28552.37601 73886.92153 49739.63635 44299.02946 29121.20135 61341.32945 32496.12245 10457.40198 98245.41182 48926.97102 22130.90169 71179.65202 51022.38373 71258.27053 60221.43805 21415.0065 51832.07862 104342.9989 97837.63436 52717.10307 102556.7312 38792.49387 31552.33818 47946.85056 38856.18565 37124.61587 49207.42688 19692.34754 23767.79985 40500.5258 102458.9443 16868.64113 58128.74047 32577.27324 74880.13036 24997.50164 44379.57391 39406.85822 20146.24983 91836.93312 39544.59309 17800.12734 63675.42106 80225.72428 48668.89418 60747.12809 21498.6453 15831.70995 28094.11053 30185.41347 33923.27171 21042.79399 33701.61385 68989.70181 43290.0075 21060.27441 79335.12092 10235.98101 75905.90286 64574.42811 79424.86987 31108.32818 79654.80191 19911.95813 83659.09653 30185.60139 48130.85717 53152.77866 57057.98293 45894.18298 29869.7623 82041.08164 62458.0174 18597.01527 38323.94429 32273.5292 24805.29941 26522.69654 73940.65206 12056.33235 27994.76291 33028.35833 17628.25816 20329.03754 50866.97228 49288.17576 49978.08837 49297.21103 48864.10932 Aspartic acid 1211.887324 197.672843 5623.449082 725.6181283 683.1119621 2407.259775 2252.637853 2030.494099 577.1381648 6533.965004 3517.463703 695.9706642 1127.434339 1418.358876 3624.471366 13750.18069 2770.667363 1549.095735 815.8100792 1021.241822 2082.415218 1283.690428 19118.79853 1475.074641 1146.180863 2665.63258 4950.525485 791.8241117 1566.494299 383.6459731 606.9901987 1220.648803 775.6889743 1581.30238 410.4707891 386.7593136 1435.56506 1816.531692 383.4919235 401.1535759 900.6067907 1262.239848 623.8666838 733.7268536 415.7929286 1126.97306 691.9752139 1412.147515 1217.966653 1664.5068 998.4513491 844.4322541 1050.300792 582.6077443 351.5114093 1774.627143 2052.366725 3069.972859 489.3367585 1348.637846 3176.2287 1196.060134 386.9583782 2649.774951 187.9879675 1639.90848 373.8551582 2583.573732 2947.242489 1350.290961 179.9846191 1104.252742 1213.887501 1675.745705 336.9906757 1411.761066 496.0813669 740.467932 1210.321232 1068.415196 112.6447965 2963.754611 467.9336446 908.3945677 1312.242779 1025.766936 502.1438109 315.7855639 696.3790016 454.9496367 261.1223113 1841.922307 1663.262106 1599.174252 2122.46735 1825.900927 Beta-Alanine 1071.245842 170.5856574 2727.57812 165.4895292 332.6612222 318.1682268 335.8473652 883.06443 257.3977176 264.981924 886.1581736 79.11739642 213.2405608 855.0728132 33.32114813 1444.094254 709.0559674 257.2644336 279.882244 1417.408267 160.9938402 1201.232032 322.3462129 653.157027 826.5416467 201.5255642 1425.895161 551.0432718 865.2278966 570.2804745 526.1328797 1755.029237 201.0845825 935.8082157 142.394956 111.0592441 825.9216514 766.4086163 215.7530787 277.3602154 754.7174094 1635.573529 391.7735247 755.3447922 612.8833542 126.4417127 694.9579266 991.8334249 135.760101 2915.192448 1561.138562 616.6755024 1922.91231 112.6612851 314.0254935 811.1925304 261.9767973 1685.037767 1205.548901 2925.512468 1060.980219 1355.873004 93.3262665 1052.078185 97.54288773 1216.954154 414.4057957 366.7945914 560.6474771 498.1792567 116.4095276 2103.984858 1429.182406 714.4841907 114.1106206 540.1716758 654.0487756 176.5272193 1320.213265 125.7556548 261.2402278 601.8454308 467.6928847 281.9955591 494.2195813 2759.801035 274.7340555 365.086399 484.1478089 458.8036604 1602.384827 863.0100792 691.585837 674.9671827 653.6815274 711.6597563 Betaine 24193.06059 5106.257383 100032.5964 8653.277396 38029.78033 35067.42883 143299.7123 95800.55902 11829.22865 12452.96724 23510.46355 75447.86577 11290.37964 20511.95527 4225.007835 79611.91326 32556.70016 7830.915108 18344.65852 41195.9995 34033.3803 34917.25913 25338.55318 11197.52028 25551.45348 14357.36475 141081.419 49726.85085 17300.1541 33757.61461 9864.41891 23513.91281 11523.56702 17337.88244 22860.18358 20008.4613 13590.79405 18317.30895 8434.135874 11867.98198 13603.7405 35860.36637 23723.5263 20364.50309 17670.66754 4260.726999 16735.35271 16813.36359 9549.212203 72646.15593 38437.16924 268062.7158 34746.94452 16800.86131 2511.759681 295195.6946 98938.47913 92801.22155 9200.875277 15634.74673 26691.97119 35433.99769 61267.55104 19864.96843 8189.393179 16553.24661 7483.420401 21001.79446 17151.73526 12475.63073 6143.086444 19224.7926 24371.70516 8012.590925 7609.972405 14461.64043 13807.3432 16916.56558 19432.43248 10000.73655 23443.43476 17154.32274 5872.606002 23367.90868 23381.00775 28250.44663 7144.375663 11225.44885 17556.21941 28782.83259 6027.937885 35665.0123 37756.6609 38084.70584 36189.52795 37994.99283 Carnitine 50942.53449 8550.452716 7239.880457 21007.12728 10067.2388 17305.35533 226734.9922 11536.89352 7171.817094 22143.9875 85786.7299 20012.26948 8276.373644 21021.98405 3996.805248 118560.2609 29453.24283 7644.151411 4164.060082 78987.23142 203425.5138 74320.98452 138905.7087 7127.290134 1294918.319 667724.4073 286297.8259 96189.98926 4145.4797 40359.3438 7491.756436 270589.6396 27689.89965 36665.25789 3254.616842 17835.9348 7734.481196 4798.289726 5638.2532 5740.988797 55438.80106 24003.1373 9481.713791 41567.63649 49820.64947 999.6104823 10670.93086 7857.692331 66370.51775 24938.02106 30436.01337 364751.742 37328.64972 30124.13395 550.2823644 142096.6559 260615.0417 262818.7905 3486.543626 12615.21864 12866.47963 9311.88811 6154.700797 7388.305443 2366.018821 15722.4874 15991.19925 7064.114122 4738.995405 15151.25442 5173.764154 19123.51767 109705.7047 17717.27673 1842.439416 5982.580221 2798.27629 2722.818887 6297.783757 2597.776669 15734.78967 3711.480267 1506.860272 13954.93639 20998.77469 113733.1749 1365.413308 1811.071609 15498.49641 22003.5261 3520.941676 69843.6553 71428.10116 73007.95715 75660.89677 74419.28554 Carnosine 1929.680477 165.4340579 4519.032349 438.7661603 729.7144312 893.3055337 1117.862782 212.9876689 535.2870001 2410.471006 708.3591235 952.3566716 780.0874846 822.5782385 234.7442461 918.6065295 1623.708518 294.9578654 2590.175134 917.6194497 684.8823123 1277.783742 287.7753537 1227.690681 5312.989466 1027.088288 1586.246905 1403.191947 889.3243639 298.7193923 1177.920807 808.0826269 363.1367818 406.9926982 124.767881 106.3476741 369.9681256 15225.3275 533.8431874 577.1985972 687.4266764 2035.378165 211.2776035 802.948538 255.5898007 333.7832135 2131.226522 1051.831017 333.0270805 1819.618332 1116.634607 443.5462398 790.0141559 99.35782866 1030.83598 534.268644 771.2798561 1650.968109 2271.807264 4774.157307 1355.749656 4986.18918 622.6406902 940.6908494 248.808508 1739.902919 1500.101385 2999.464489 1414.970545 1654.099324 246.6367376 8017.379942 1371.422038 1833.513634 1628.784123 1248.038065 836.0058583 304.6446215 1280.85386 451.4837053 370.8934251 384.548882 2348.267435 275.9468773 360.2512778 4672.920778 88.13471984 3508.611466 599.138213 296.5115033 728.7753151 1325.511077 1497.076986 1358.740877 1334.566 1338.400601 Choline 30119.30837 2586.21337 64810.10919 5971.841979 18988.70527 24041.24739 24521.67528 9677.527709 10833.71292 8964.823331 27208.43189 19752.08987 6428.311832 7757.731542 6878.283966 12897.30336 27745.31517 6186.321649 10284.41325 6214.537056 4797.237896 6847.656044 8213.900341 5216.665224 3964.886694 4934.835438 14287.30017 9781.897139 9438.137963 22179.56452 4393.175362 6996.026271 3486.463861 4362.02996 57865.29989 3858.821471 6937.247725 10324.19376 2046.310289 7009.102192 5236.19832 7280.240565 7426.104498 8288.642661 5249.959711 2192.156584 6601.599046 4028.365395 3623.527104 8838.512579 7744.090123 17162.16996 7675.245511 3289.73652 1535.655635 14432.11865 11686.42237 4883.070479 3289.711849 6921.217181 6416.879617 8124.826319 5741.584754 9920.829684 2359.436811 8460.226072 3432.128754 11759.9436 7501.844213 7366.326291 1780.328124 4945.177409 4744.7526 6367.950707 5158.441028 5080.869049 4692.033362 8644.547805 6564.551137 6573.587934 3035.513281 9156.288391 3657.849208 3345.515251 3208.263013 6430.500345 3416.938495 4634.173341 6455.204203 6853.224799 1937.077163 11152.82273 9148.500719 9727.255254 10357.34244 8790.146114 Citrulline 1870.242749 1852.764623 7037.950259 466.1503101 3477.502238 4830.19348 11998.24014 2519.02388 1069.897477 2576.706691 15890.42318 6635.532092 1047.632571 1126.229309 625.6568699 14979.90074 7766.174145 2783.852528 1371.106591 636.486711 2820.671702 3991.804461 4571.721382 717.5376495 3666.600498 4515.318446 15127.6102 1810.115001 2516.980829 1301.838838 648.9198298 938.6507699 644.6573435 1106.651039 1836.663467 889.8979163 752.1582055 3906.591571 342.6777459 648.2556359 164.7056733 1676.368191 485.6872784 540.4527155 1020.842969 739.7836312 1794.845808 4216.282001 2490.26341 3395.65092 3076.60039 1181.321609 1029.660342 1113.531627 323.2966428 6022.495557 3051.033112 4883.737126 753.3885196 826.6151248 1946.190176 854.084073 255.2366658 2116.546754 169.569974 1379.216031 4108.343031 1313.454002 899.1446578 641.3413527 376.9789105 830.5571284 2150.433091 824.2473796 922.9099942 754.6013966 528.0874148 657.6827183 871.4800436 906.874327 606.0775973 1178.227293 565.7077778 430.3448602 1504.224922 1961.07825 452.3679035 649.8822087 952.8563354 1651.70852 342.9741435 2485.41822 2290.241358 2437.224129 2416.974212 2430.513962 Creatine 8617.501408 3886.99299 30499.88629 9646.244973 2819.327568 6170.988255 17971.93294 9000.008468 19478.55154 28053.32446 99649.82218 8254.402578 31870.79553 7488.087671 1685.725488 53545.3289 17606.54246 8912.972592 23969.79978 14068.03822 47177.69706 573872.6358 64092.45373 22058.19764 39003.3575 769889.9302 17303.87229 54837.90583 26266.14264 3181.148994 41598.08929 8272.21434 23987.43144 42363.47363 2555.083833 20741.41752 4353.511215 263308.8233 46150.96423 19550.0602 7446.15076 26408.94896 6564.997174 19483.53944 113786.7561 6678.505315 33042.76407 5258.031875 2498.251103 12668.46172 68407.74891 297010.2905 9396.995073 6424.84148 7870.341079 48183.50619 7111.22356 10747.37679 262057.3669 291308.0779 57001.87201 187058.4144 287437.9628 14797.75591 4428.346009 11600.7925 12325.15683 74960.00735 136897.0065 13052.99767 2428.996422 13488.4703 202909.064 12989.50966 16117.64918 22172.11502 30157.04511 7476.616998 20438.39306 232701.0615 5817.1749 39646.2943 7092.962124 102674.3073 315192.5249 386225.7765 4515.822534 15139.64175 140008.2035 50637.73928 1731.383694 56302.90843 76795.56815 81811.2362 78192.80004 81378.39952 Creatinine 1280030.736 782264.7086 1265387.8 1004493.876 475599.8205 499800.8862 2043071.214 780082.5338 2301702.366 1719161.647 674204.7548 772352.8251 2279788.307 874672.0696 184947.7805 2105508.161 971381.2021 511361.9774 1948272.33 1099017.191 1101202.048 1688342.237 417785.4137 2092482.298 2956859.939 1389292.324 1088992.139 3032516.122 995586.5328 631251.1364 1235687.789 751336.0195 1400387.373 1227175.248 490568.8123 539427.3884 1011168.943 2267275.017 585756.3161 1650082.037 987557.0604 2826545.876 756688.2904 1708653.533 735710.1335 807283.501 2752104.152 783394.433 297898.5318 1995034.205 2253210.743 1202745.989 1689788.195 421588.3086 652683.9185 666024.0501 622562.85 784281.3244 473288.5507 589649.4477 1969751.623 1217357.324 468631.3028 2892813.619 320841.9187 2085661.599 1195824.932 2190248.206 1268206.827 1529496.183 482487.5508 2636696.794 854811.7571 1564826.511 1692279.162 1420565.656 1229531.041 904007.5567 2022984.1 1520358.969 611151.2985 2377115.669 1123191.11 780717.1105 797418.4604 1577589.587 398408.7079 1042941.526 1166683.75 644874.4614 499939.8887 1392838.009 1227452.953 1388794.78 1239883.578 1120246.898 1-Methylinosine 60994.5643 18249.02254 54592.02857 26561.43649 10342.78768 11454.521 74462.44018 37560.32979 95245.96354 3096.324117 24105.98979 29437.71387 85219.88231 31297.05073 10320.40243 49990.6502 21088.10582 20511.21105 73659.94845 48144.34092 14981.43631 51196.19181 11601.62281 24575.21451 96299.47683 17556.81508 88152.13867 113679.4273 25753.70838 27467.49761 39961.64047 11785.92946 46918.84225 46504.94052 11399.15429 11181.21438 67762.81658 93091.33455 15559.95342 66286.63049 31492.20703 118276.4911 21322.36704 64183.41419 23291.51001 33382.04638 109605.6763 29067.98579 11505.21942 76344.3828 71300.31141 38235.3296 58028.22049 10705.8137 20970.866 16420.35516 32335.62033 16119.4578 13717.10702 11527.19395 77018.06513 41505.74288 13630.17931 176994.4225 8009.616636 88678.63202 37381.06323 47084.0243 54964.95481 60903.27876 11893.8993 95748.35186 22587.45997 63604.30826 72910.32243 60576.42682 35397.09025 32214.23822 72247.03845 60500.50427 23843.4709 115837.6514 40985.2024 27596.52833 29248.83324 37980.51363 10754.13322 30950.09381 45610.25581 19280.98771 14202.3795 38341.99603 26443.84923 27474.40594 25060.39831 21979.86184 Cystine 112926.6749 48183.55719 114799.216 32632.11229 58956.42245 185118.4189 265509.9842 298828.7229 45239.5009 136304.5213 477370.5604 82075.78057 62113.46761 62003.20132 15133.74137 273920.1524 142068.5607 22695.10331 46069.67797 45430.17471 38201.03013 151697.0859 130637.5474 55670.01706 239895.8408 144436.5492 272371.495 118601.2271 92787.80383 20530.38573 34001.6371 76398.88811 49578.74203 43914.76102 22544.34633 51855.65685 73520.89677 511484.8662 23016.64816 46893.00579 62495.09255 120625.0053 51755.4014 42482.2192 36041.99529 67300.63427 116158.3194 82127.81133 115757.4486 111423.9939 125143.149 148145.2891 73913.50291 58802.49195 20243.02184 199217.4229 110489.0092 133327.5065 81203.2197 22141.80228 129832.3511 62589.04354 42363.12916 92059.77148 10708.43597 98080.60227 33234.25987 125548.8505 53190.2466 53361.93969 19683.66612 42934.38916 49395.31457 40697.20777 48945.98316 54916.8895 29174.80662 29549.56923 55852.12444 31115.9725 24935.74629 68407.14776 41627.33496 25718.43155 73751.46672 64287.40781 14649.75603 71031.7884 51648.21649 57501.66968 47491.4708 99090.55377 100225.6009 103830.6673 104241.424 108329.1662 Cytidine 236.5898957 154.9461992 1027.963274 226.493174 146.0481892 475.8518943 847.3646691 891.6435935 442.1746013 294.7148082 240.7281492 359.4918679 194.9822158 250.4893177 205.1456372 262.0049239 244.2405773 131.6285841 720.4859638 243.5392738 517.1555658 165.7658417 84.9828291 831.9164824 295.9396209 149.3161009 127.1977273 424.0414083 126.1637494 227.5225726 217.7910737 145.9664437 410.5302758 183.1315527 86.54484728 271.1833171 997.1788309 223.1074372 362.0844712 315.9871065 25.52005183 781.2037417 124.0307291 198.6132282 453.143787 238.0241827 571.5425819 324.2687652 530.4830976 475.7594288 562.3294048 592.5085444 471.5399079 244.4304602 158.3111727 194.559287 136.0810376 182.7520247 79.27176201 762.561877 404.9926534 442.2817331 323.4915735 1002.93192 320.6454607 589.8886197 58.36045686 161.1992146 1242.080206 408.5669436 374.9680741 319.7808498 2127.63179 692.3482638 641.1348542 235.5292525 84.4364475 201.3255093 119.0942211 182.0003763 158.7735868 228.7150265 164.3254185 68.47608031 194.6684597 79.70262394 87.17395353 144.8875477 1623.723062 478.9731408 482.0842595 252.9948581 237.8477787 301.6984297 308.2867106 328.3016825 Dihydrothymine 14145.72144 2563.975047 2944.400604 916744.6453 10765.99132 30442.2965 51224.86797 6272.959214 4063.080371 8951.702487 95520.45035 164493.6014 7144.985899 11129.53461 108599.7646 17964.99181 13867.55372 6438.28012 13148.92345 6148.651898 70716.17078 590249.1159 64978.29595 146288.0286 822898.6476 67384.41944 10868.03686 12255.5625 11205.62357 5638.760362 24062.00117 70340.70408 8965.034346 19445.51468 2462.890329 3025.943069 3490.535458 39272.00028 4857.563477 6026.236942 6611.078729 10726.12766 2612.171213 15520.38505 9458.666074 27266.3713 39388.62676 6633.940752 6765.988083 17115.53806 23523.044 62446.50509 22341.94235 11887.32229 8824.860516 7141.141846 3723.288206 10013.78523 3340.872856 3032.586327 5212.420185 21728.78754 11044.536 30645.20923 4086.384942 17638.53231 5756.278264 27933.09751 7118.60094 7442.221966 2857.386976 28870.26525 10320.30365 18830.43617 5860.266946 25323.56261 12003.73946 2785.648689 8465.717463 10122.99336 3206.876148 15274.36831 5178.624417 7161.982377 2892.201363 14725.83999 8079.943495 4731.429588 3330.781413 11925.98125 6730.940862 44835.02712 46246.40722 50079.79431 46678.72265 52370.24774 DL-Norvaline 132.8458604 47.41405546 264.0576125 52.66865888 88.93610697 272.1879194 415.9735815 170.0847017 98.44905889 169.4568236 79.88380142 138.0766754 155.8479959 106.9468914 23.67897557 392.6676908 225.2665596 83.14038234 187.6974779 157.2981678 337.5500336 160.5601219 196.0428592 135.7136394 363.1570672 147.5541526 384.8382563 179.6599418 83.52963053 60.79258087 93.03243169 87.96734453 80.15832224 117.776112 35.40342638 66.60964482 94.44749363 222.691337 44.22145729 117.9732672 46.49707272 214.1743701 103.8557945 120.1622599 54.41627376 58.9016541 128.8603468 57.58118553 44.10877331 156.2273224 189.3990722 251.818161 120.8068478 72.01039889 37.25566417 160.194969 242.1159752 254.72368 58.03824067 85.68027503 176.0102932 94.19114821 135.9919927 127.4205328 27.70357893 162.0186968 59.83203378 205.2603261 148.8659321 97.05576591 32.82046539 156.0156429 85.36337684 127.5307916 73.66231803 87.62391293 68.15440359 75.69260772 178.5797082 68.36939598 32.76608649 152.8922739 75.07003197 52.0093931 98.50171649 153.8497294 22.32534771 91.66050861 81.09006827 116.2398544 36.1870613 135.6325659 143.78803 153.7312594 126.357232 136.2201636 Ergothineine 111.4704774 49.06622277 79.72651415 39.96817221 77.48237327 93.13614014 193.0340292 120.1047478 80.64462546 358.8145487 131.7318244 74.36465331 183.3128336 141.1915212 27.63269471 643.7661336 19.84322424 260.1949209 65.60813219 81.26057001 94.72024125 82.24205056 213.1639607 70.98990033 442.4853063 349.0040568 161.844709 187.2616032 57.14452575 45.31837849 92.58397825 84.87675564 578.1400277 117.8571667 39.97502471 59.55021363 71.13494809 282.560033 87.08783451 270.5161352 90.231234 135.8479461 44.98063461 107.3781997 53.12053349 25.82456246 139.3495797 31.01580476 43.08364704 610.6822831 290.5928447 148.8079513 71.67870845 51.58940983 47.79917428 205.0760905 61.69804068 348.0968436 68.73714551 181.7723836 258.0503208 105.4222109 226.6400649 43.75314676 36.1672309 131.503995 51.05903881 203.8865755 235.0977696 87.5065435 27.37453672 131.2187231 66.11887048 61.39984438 34.87798849 168.4116927 62.94672281 34.23821431 168.9728896 119.3211019 155.5323847 292.4192164 98.22702065 183.4370648 51.46924358 156.0293225 49.89646466 60.04416253 86.21158934 53.73801977 23.37846222 130.3971686 132.7127863 142.621855 144.6357011 146.872156 Ethanolamine 22602.66931 10430.99411 26844.90906 10460.4061 4749.772992 22236.36004 35896.89732 16301.99937 26547.86316 28501.87111 12003.19544 12164.18049 36740.94291 10733.45042 4256.367753 26714.53852 10017.49457 5509.539375 29448.66761 6835.707067 13583.40566 15913.41219 4361.448055 24857.04238 21063.48606 12195.92767 10952.00277 34964.18072 14879.24493 4347.496477 15659.23455 2726.255756 24258.9532 19688.75607 2930.535923 10426.84329 19015.22541 38169.34471 8614.719517 19663.51163 13184.26961 32514.04777 9871.750294 16066.90421 13486.36999 11251.36834 27041.06837 12987.60154 5266.337605 31235.15376 36875.87746 17072.46889 24021.81752 8528.998133 9671.371886 12095.12625 5666.893128 17273.8231 10024.98526 21848.46574 43635.09377 26875.57709 19096.8794 24335.402 7162.446449 43227.24582 13324.72842 25807.39321 34446.44271 24394.01392 8623.557472 18064.44422 17276.95927 30820.21365 20730.22656 24667.7724 25846.97001 17606.13053 31163.92089 13395.07475 4832.621245 35921.32494 15367.27575 11437.68828 15453.69662 20529.42441 10434.97998 16238.73001 25323.82711 13254.64417 9506.240321 16160.74069 17640.99306 17649.09164 16497.12103 18326.33376 gamma-Aminobutyric acid 158.5072392 104.6560286 134.5787701 88.19614023 42.5013286 273.2075683 340.5360753 173.7715776 103.2502196 332.3724342 135.4688003 78.66471971 367.4446793 104.0814476 53.68453339 271.3786004 126.4605556 32.22460837 204.3150015 48.43118431 243.9032002 198.6022305 174.455718 206.744709 413.4351119 302.8205853 518.1978737 264.6866602 236.1712039 21.93240212 158.392383 116.8221509 162.3100053 138.6213938 4.649565401 123.0553312 152.6063908 237.6674004 76.62558912 256.5137195 195.6994059 350.8766683 125.7397548 128.7522559 81.51845599 60.30663962 396.2258934 82.82721028 71.96371719 268.5107521 228.4649118 538.1351649 244.7682044 77.07127426 33.31122599 187.1172142 86.29735427 241.9263678 60.06055518 192.7253507 224.2455577 119.0368139 160.3264882 188.3709305 41.36135007 221.8946996 74.50941877 412.9597595 297.7685327 278.4785597 60.22614673 384.9794188 148.0815748 298.5279429 113.9396462 372.4111912 179.1339944 64.41266414 417.3504653 244.8255576 52.76017869 876.6130725 233.6830942 120.1014872 134.9544299 162.0698443 82.45346693 248.8782675 183.1254991 69.26060187 35.88553613 209.1893037 217.0291725 209.6442031 206.0785149 201.0400432 1-Methylnicotinamide 13482.30302 9474.958334 4985.859811 1967.988799 5415.254147 5257.040564 3395.583817 4823.240366 8432.726825 6956.409954 12994.44198 4423.272256 15169.55029 6929.556734 5759.805972 14875.2353 3079.27605 4365.788618 16703.281 10024.63387 4640.934652 16302.38881 12777.60078 11820.29643 4511.624449 20082.74998 3959.819455 10729.81374 2563.380469 5336.775431 8947.929141 10373.16945 8623.556907 9281.40841 755.7783419 9572.629349 5231.972079 6577.285024 7222.934953 5727.532403 3356.337819 10613.31504 1662.616591 6952.586792 3143.274313 3772.712009 6869.289049 3306.123787 1956.600289 3429.859555 16826.53467 3463.782289 5736.860294 7062.298791 9207.965681 8193.682878 10923.61828 3284.115942 2248.333181 7860.223012 14743.14661 9945.675147 4863.578845 7405.775544 2043.091628 12796.446 5272.731714 8655.409661 7113.383902 12878.27814 5616.675286 6909.664915 7885.418202 8836.166869 6836.450499 13418.87375 11094.60612 6196.132449 13545.42247 12201.31979 2031.155906 20256.77461 3587.829222 6802.650296 7539.039725 8135.107681 2965.442343 11107.70307 13067.99678 3066.894759 1467.21718 8479.138994 7830.984581 8125.955031 7965.418986 8493.979616 Glutamic acid 107016.9637 84793.58183 243167.7945 44287.82021 116929.4743 208776.2302 473223.799 72699.88603 62031.81126 112819.2655 278866.4205 160053.8928 113792.5025 159080.4138 41570.38591 355151.4023 276982.3832 45445.85546 117351.0306 79031.00539 133091.8983 227228.1626 211167.7918 115263.0752 283544.6907 286010.6189 722046.6553 145589.5917 111356.2464 36188.27434 101730.6189 174203.0724 50875.44483 92659.43359 27304.6883 75871.59592 82963.9161 185538.369 49810.92089 69975.5563 59452.11447 142977.1797 41399.53267 85741.5259 59557.56998 80370.80788 155918.935 69573.52131 162205.6048 176998.096 168935.5756 169905.3733 182439.1665 97051.2274 41610.56251 162226.3693 183068.4075 691634.1145 80497.96546 101861.2842 162204.9122 146694.4919 64883.46389 144956.486 27885.82689 139323.4072 69703.02892 126552.8429 118507.8048 49781.09653 42206.00902 139873.7173 124454.3386 115255.9673 57658.18292 93295.53507 88204.09869 68108.8467 131073.7077 45262.15071 35949.20167 124773.2841 67237.52003 42492.13926 94928.5791 120021.559 47665.78677 120890.0132 118463.9485 170412.5092 51337.95971 134052.6171 144765.3979 143027.3841 158399.0495 155603.8433 Glutamine 136621.7437 126917.4144 317032.2055 48160.33293 146348.8125 254406.6069 658695.932 96754.07288 88399.61962 148775.6447 414740.0833 192058.1333 147816.7718 196571.5896 46963.12393 619062.349 441782.1006 43184.27429 191565.2202 99113.4955 171415.4113 315659.4824 350651.4585 179345.6081 468498.2025 470341.7132 1063458.903 208278.662 133184.1021 43564.25826 88184.42264 147330.5745 62741.82215 139447.9313 38281.65274 88453.99138 102772.1429 245610.3257 47633.99088 82468.62926 81900.64803 174036.8025 53792.84047 111074.5543 71690.70625 95694.47781 228141.4381 83262.28692 219737.5141 249204.6988 229993.1553 233197.3017 217169.914 137365.6181 51795.90757 225386.2374 236799.3963 1121198.118 96755.17204 108885.1953 229461.5968 187875.4692 73668.63566 167835.8456 26732.77237 160807.9643 75980.35086 194401.9605 145863.142 58829.11176 39213.70743 169186.6058 131947.8584 140945.8571 68349.11078 123572.3657 90727.898 101170.9529 197386.5698 47043.43989 39570.14108 141105.9349 72882.6852 46242.44365 119896.175 181030.9888 52026.17572 145616.7339 133049.3623 186480.176 56261.30157 191707.4884 187831.0057 203194.7137 192231.6472 192376.7902 Glycine 16005.62221 12269.16762 27492.13651 13550.98097 21919.7747 18428.13464 24415.0496 49841.09629 21995.97504 14175.89828 10601.38391 34358.14252 33203.93343 2186.960002 8869.800754 60477.46946 13828.18583 51755.16553 17007.25722 21439.45495 39580.5432 15081.51822 9702.333471 10284.96235 24441.64205 11258.9064 28929.85481 37866.57265 17461.00674 5217.213921 14052.58948 11043.43243 25636.17318 30369.73743 11402.37641 5701.391322 19629.89792 29951.53055 9813.571296 22026.45767 3301.627773 24690.13494 13165.78338 27160.57038 51334.10763 14607.52393 29820.03196 30569.93945 4918.924945 25594.04473 33376.00485 15397.90652 33075.2762 8489.679869 3297.325021 14095.23157 5559.664796 7417.007271 12082.95088 18653.5804 43915.93429 10597.40977 15990.6659 39662.93289 8709.409616 41780.73519 58709.55991 25481.01603 31918.19749 24542.02583 12788.57615 27727.53028 17567.89393 11118.64426 19368.77993 37904.36025 50106.82575 16570.69107 31432.57791 43445.9475 16529.31336 44886.97151 29641.64781 22021.10315 31041.67784 37950.88496 6839.266368 8604.443416 29323.0407 15155.81006 10721.93104 32335.72278 26149.5181 29116.25332 26673.86418 28098.06869 Guanidoacetic acid 19608.40923 37943.41417 59906.71776 6206.693423 5855.268117 7341.723146 37726.26189 48111.30283 89832.71167 13443.77655 33240.54332 9167.747042 95716.79383 37228.22544 1638.728607 124167.7663 34792.00799 6730.136657 23595.57652 10529.18154 76280.06696 196926.2167 12484.2311 46183.61381 144231.4572 61324.28149 25264.5043 227718.8324 44369.63369 5568.167854 101211.6443 7405.75531 120881.1153 124161.5143 1766.839629 56382.13664 23647.15106 468915.1213 64719.25126 85966.2115 33839.06281 103082.6286 52413.01886 75990.07739 100547.9452 25713.22088 116197.6953 63170.7231 14680.93466 140433.684 232031.1982 136890.1908 124480.7977 24603.74843 7986.511994 57636.23231 12440.82032 74345.80544 51059.40244 134767.5099 237251.0175 203469.6248 49963.54351 110533.3384 20964.60174 137089.0675 54662.85122 122952.5756 179519.6344 149714.3012 30315.69836 172021.9428 167349.859 143427.7761 19185.40315 103197.4497 164841.8644 47992.04156 134152.0414 124812.5793 22534.60198 316795.5951 48639.47223 49456.74754 110667.0483 149330.5522 30459.92566 100785.5099 156020.7112 83898.84368 25161.09546 87698.76239 87218.93097 86452.81533 83106.43318 93319.455 Histamine 27.00673678 17.7957151 24.07722764 13.91327438 4.927940006 14.81133002 26.76833843 19.73376226 24.21321603 92.48657578 20.31478569 7.579723837 48.19437523 13.52485872 7.476613508 43.15692288 10.2921611 18.35930658 31.93832811 9.10285342 31.42996506 52.64385492 26.06506532 136.2683457 94.01029285 62.78211597 20.93974337 48.73185877 105.6482314 3.822353706 33.10289 9.087599096 21.61991139 37.29774499 5.317457318 13.86822113 16.48754621 58.21080223 11.01848111 29.46387549 22.40445012 50.66433759 11.30951251 24.06644048 22.53780727 12.64671817 28.22391879 33.99857491 9.59635037 25.34447204 23.53208035 19.52898 51.50728961 9.501702284 9.712230652 17.01533326 9.483045532 15.40146314 27.97875573 22.58250927 48.40815696 31.01908204 13.32836046 55.55961294 10.6309103 59.41098171 33.40397738 646.0696789 57.82735059 39.43439902 9.568356959 38.4120035 33.48454185 83.40507441 27.58283112 61.25935248 18.0141615 19.08329058 36.52112625 20.31044112 14.50007559 35.36363077 40.22425744 27.08557258 26.29811577 57.89175693 11.40464967 11.49256671 40.85625087 28.3584193 15.94935039 39.36247444 35.09281055 37.1867806 37.56934213 37.86795737 Histidine 59752.6686 45518.20342 101242.7067 25304.9198 31215.61909 56054.33963 89939.76398 24282.17536 64400.27919 62590.55588 52106.55102 58810.43924 105989.8203 30798.70297 26805.25729 145906.9504 67301.00896 13278.06239 134133.956 57791.42517 78432.36872 100517.9952 58336.95105 87566.95004 169281.1685 108899.2131 62753.26456 97433.65719 46889.88808 22734.11912 81690.47251 47462.18465 25206.09223 78812.53434 13163.3255 29893.44885 34345.4922 176993.5339 29296.52341 50865.59648 43667.79297 87890.81309 28967.56962 56082.13052 53230.60879 29403.07568 100638.7495 29410.77313 28514.75697 81406.91003 104313.8627 78688.11291 99523.61674 29907.37737 33514.44706 46604.06693 35817.1827 107540.0572 51596.19618 89529.38032 108773.9726 68296.61965 39332.50589 72692.66242 18205.19905 102544.3065 61206.65106 85156.47157 64113.3569 73629.76928 23669.388 192602.2553 47727.99165 100133.429 64329.75954 64933.8207 36334.13242 63644.2331 113600.5557 47006.47584 37487.20884 39297.92532 53110.30461 32359.06373 53303.68826 97197.10055 35009.54762 72962.14568 57180.89371 62351.36752 32767.99338 69744.4509 71188.39956 68682.73642 69649.36925 70484.97571 Homo-L-Arg 1730.663433 628.5353274 1746.374205 1071.979497 417.719026 785.1086246 1800.221155 714.5376569 2296.480329 1850.507626 868.2153888 893.3922581 3016.737029 788.785736 747.7548089 1499.595203 1229.370689 870.3484603 2757.908601 1645.134966 1611.252776 829.6633092 407.9849957 1874.35775 3197.115105 2468.237808 983.7285324 3087.524587 1328.130802 745.9508877 2282.000662 743.8215581 2018.783674 2862.268267 593.9330594 373.0820098 1547.16824 4753.641225 982.7999307 2551.431787 1143.31724 2116.186165 645.7581594 2877.87764 1732.946725 1008.359539 3151.42998 1098.95735 303.4839296 2161.5457 2061.626278 1111.727718 1485.989057 318.0744735 736.3580635 485.8286461 691.5821998 1015.969249 579.4701516 1239.881601 1889.203391 1427.605121 660.2832787 2778.905864 594.6636305 2645.084572 3728.026361 3160.409281 1505.497763 2587.865991 881.0296591 5902.249687 1006.636339 2503.333957 2324.3926 3013.207254 2466.998918 1538.566155 2915.46786 5025.21733 1127.026083 2561.937844 1564.608413 1720.148607 1137.471851 2120.117895 522.6752735 975.3041548 1143.229562 517.8259279 841.1545702 1463.105625 1529.925392 1550.714701 1503.702201 1536.695746 Hydroxyproline 981.9236975 409.514919 26160.18809 800.9192259 1651.100827 1242.601114 4084.775202 1821.941769 1745.981042 2511.691625 3734.06242 2398.132177 1516.021053 1247.910709 316.546715 3648.168328 1531.576257 1740.331479 2184.204107 1592.36658 2526.66885 7406.908468 2592.57551 1943.732472 2367.166227 14108.25881 4377.146785 2559.134104 2124.881002 998.5896739 1555.225791 1148.89861 1137.159759 1984.482515 636.5111185 1079.107753 838.3689069 6051.20471 1535.595314 1211.446186 1349.126429 2155.285574 1092.961248 2344.588242 4703.587363 1032.247816 2153.531402 1767.455422 374.5184057 3399.13275 4035.424655 9915.772683 1722.085089 824.5827469 576.4136831 10940.9046 3091.330759 3890.147905 3918.63252 4011.696459 2087.373615 4392.961837 8157.50376 1342.212561 491.2969314 1203.548206 1165.410104 3095.777946 3026.925986 1270.246583 590.4419732 1740.676065 4468.921537 1035.839243 1270.825926 1182.088026 1200.381989 1502.45185 1310.866547 6020.716827 1241.629047 1725.212895 487.1451064 3159.041055 5474.695905 8127.241012 672.0158717 1173.342956 3272.369843 1942.973172 313.5264256 3998.162613 3504.540011 3298.976413 3215.905374 3367.187537 Hypoxanthine 21602.14608 6073.497574 8273.623601 4213.089661 1928.339519 3982.706871 26580.53834 6931.743232 10883.59591 23526.12094 12067.44397 4418.030851 21510.08491 4574.736109 1923.567422 19579.61507 15726.35105 4002.613112 24145.19038 7830.817823 25587.35384 10722.25059 7032.60439 16447.10333 14361.29329 117438.0139 10435.18058 13545.87672 4357.584719 1645.586284 4643.458301 7224.653787 9584.957928 7206.563749 945.4303688 5633.690639 8544.716732 7806.707661 3441.248516 7180.41914 7484.063114 27680.68556 9487.682871 7005.595911 3352.084376 5297.175031 15695.97159 5020.312426 3013.359431 14234.93287 11174.9018 21382.06226 8468.780841 3481.753034 12078.46081 8550.01098 4607.325891 9163.155972 2784.87529 2790.6428 22281.14907 6909.842754 5301.396134 170102.6615 2373.933186 15882.12403 4248.00654 8016.107057 16321.75848 23970.79788 2501.625829 7389.317885 3736.177725 31236.44748 25263.57361 6491.169092 8886.822227 8785.448798 20047.09246 5053.510369 1408.979986 82988.49951 27349.55451 3189.47242 6234.561636 5298.606951 2905.108794 14197.53548 18881.65195 5677.903849 2372.777343 12265.03579 10465.30625 11245.40737 11404.92918 10591.91982 Indoleacetic Acid 952.0485824 338.2446896 7023.27211 1290.102267 8427.735145 4151.723334 1756.748954 7012.206494 2279.840748 6138.816096 6113.576662 1465.642115 1938.61855 1090.985471 919.0979433 4708.181079 3945.845478 693.7322796 1275.160365 407.0648271 15520.16128 2187.90069 1816.355734 991.4391206 632.8424474 2325.349836 1483.28655 1856.991222 1483.506571 867.2622157 7718.514767 977.6607823 2565.986789 1560.253265 591.022313 1542.174783 2741.347169 7103.939715 3609.6141 566.2579149 1693.501426 2875.222765 2605.610775 1574.481994 10036.50316 2131.980787 3718.665555 5054.140918 1411.386711 5544.191299 2129.815353 188.1683311 7836.395197 4555.693284 596.0563574 2578.488263 624.5941798 1460.000799 695.018702 8316.803324 8311.734811 5860.985959 1170.41022 1559.761829 691.1061144 4573.640301 786.1090826 3600.245353 18706.83508 341.0575816 2338.206283 5511.447435 7707.627483 858.0897675 449.382381 7938.235493 1896.523397 4060.527464 1182.374149 375.7206939 3583.649972 1492.372499 778.2926847 529.9943032 3645.301883 8722.728883 4174.000219 3150.74527 7710.996081 4837.864062 3161.665196 3091.070063 4005.284686 3427.594494 3608.735574 2891.237502 Isoleucine 465.9449669 233.4117179 1128.288295 156.2446147 899.4085001 1456.942405 978.2548029 220.7784233 196.8374814 418.062679 978.2676286 881.6436476 354.605827 669.2154038 297.2095354 1027.177959 1148.999753 422.2912102 628.1826839 917.4945953 658.9160725 485.7720388 754.0507844 347.8752566 1172.863639 347.8749121 2065.803702 301.7534142 88.78665246 392.0160787 273.6559888 2169.006814 289.7679655 278.8832741 226.1163206 568.9950131 523.0690374 419.1913409 231.4917414 220.3463053 55.87024093 426.6853045 629.571198 227.1832754 358.4511107 327.7841398 323.5347759 218.7598668 390.7428646 267.6483848 349.8921319 797.9928448 294.4102312 671.4939989 271.0050779 553.7621443 568.9556748 705.282226 559.826392 541.1183712 316.9074778 511.6796262 1065.875688 232.627453 254.9065083 71.58935757 225.1309707 260.2714991 240.8922016 257.880747 225.9928455 448.3564492 372.5245238 358.7188801 201.1302512 243.1830317 397.7309132 196.1966384 221.8036822 157.5389376 129.3404279 56.12575318 165.5550641 127.8968999 292.5619978 620.1245199 112.8327828 325.4063146 144.0918833 906.5862471 326.4544897 265.5813385 363.7854896 363.0355216 410.8636772 408.3491588 Kynurenine 1521.15629 411.7896327 7593.620926 478.0591319 1959.007475 4982.140769 6381.491943 744.1858447 317.7638 1124.27076 7290.280136 9054.500429 372.4660035 2812.51432 2933.111999 7331.212969 7017.737398 1257.429162 3643.155495 4433.728816 1793.030847 700.2511439 4029.066982 472.7548772 3249.035284 521.9190244 10061.83516 369.9176649 582.8614602 1627.332014 581.5376139 2096.405564 769.9295466 222.9979031 3378.462676 683.132983 842.2738728 535.4984551 298.5405327 338.9558106 657.394173 626.7226649 868.007791 305.4081788 1107.585719 673.5504766 428.0950647 407.3001838 1591.101361 873.4521046 606.4367599 1995.005789 674.466472 1440.257917 665.2696889 3753.241161 3651.843193 1896.603307 903.0033252 448.5966853 997.565361 845.5184562 856.8833181 1956.132539 170.6537754 126.0486733 243.6324141 307.7747253 441.3054611 251.7905267 256.8004575 336.9705513 674.0976502 358.5116589 286.1656774 636.4576042 260.5740276 524.1381254 281.6926603 84.24404242 414.2337697 51.03369699 141.9861731 236.1347857 524.8661071 949.5393792 545.9298318 499.1530765 241.0055675 1949.604439 552.9049512 1232.865703 1416.843195 1292.973847 1510.21747 1367.699777 Leucine 9166.039056 4836.972308 18121.55251 4251.019186 5902.909549 11099.33211 30674.08034 8447.06913 5826.625626 11884.27562 9017.224347 9646.937196 9091.831109 6530.479625 1474.255786 24998.64297 19304.34712 3712.28078 16027.65851 8592.833847 16447.33657 9835.223432 7531.358115 7932.833591 24881.00965 8406.808812 23999.61911 10084.58902 4730.930385 3842.059709 4702.071198 20191.7518 4087.722208 5920.497764 2409.364799 3572.042848 5821.728256 13904.2234 1775.459029 5419.154429 947.110024 11807.04707 6353.625928 5353.050075 2780.093058 3543.269102 9377.522734 3642.69824 2155.295295 8150.090097 13869.92799 13440.84643 7091.928885 4580.116353 2631.957589 7555.127456 12790.50315 11748.70797 3908.424677 5333.024835 10943.18524 5840.473174 5879.834152 7730.566202 1238.117274 10647.54005 3732.426522 9965.368209 6028.545274 5893.424863 1516.150436 11117.34652 4183.204033 9410.197838 4053.279315 4797.473741 3268.211606 3858.750994 8283.6546 3956.189546 2155.7537 6146.452122 4532.895564 2585.050728 5185.339561 9995.635884 1437.158596 4323.920965 4242.813026 6872.382922 2341.563661 8681.063837 7514.531192 8300.978828 7548.83567 7670.154714 Leucyl-glycine 104.0079051 43.72570918 46.32442556 93.40199596 30.39162808 41.39431729 88.69230003 142.9515893 105.518499 104.4501952 30.79103251 73.94924815 209.6350067 30.21650424 9.444336203 91.81123761 73.49950188 24.46060506 73.53138725 21.16516762 96.3098789 33.21432636 20.88378167 71.03232983 56.58783959 61.93324195 49.9515997 169.2462034 39.13316127 18.23677768 29.16272855 18.60269012 80.98616562 42.08071419 37.1791317 19.155908 54.32211366 102.2528926 27.39124982 138.304675 64.38482591 145.0357341 49.27129814 70.92767091 31.42334923 24.17909207 80.78655531 28.6303308 9.437596473 59.39932601 139.7825814 98.66071049 45.24627147 23.53075475 32.61699391 51.58361194 56.70965545 21.47518316 17.65159038 30.91845009 294.92037 86.11791384 41.7242644 148.88234 17.63507189 112.6849329 41.01438999 116.5858812 99.70690306 112.5668291 14.01805143 79.94960669 33.28170105 124.0938579 64.29846187 64.91859799 57.08880171 56.43491138 108.5839632 89.22912566 23.35176232 546.5659561 72.14027858 54.95941218 80.38843353 26.71590625 29.61623968 32.18505688 55.55641025 39.94858446 16.42661068 73.22423103 83.57975469 83.19228835 54.97931459 49.38579308 2'-O-Methyluridine 270.1774188 39.95669455 165.301965 304.1564121 245.7882005 500.7491303 791.9510199 264.2978814 173.9146114 459.1822864 500.1501383 197.9929658 353.1252408 99.95844735 36.01922288 476.8915301 233.7000016 142.3570144 142.5194428 98.67168696 150.7312004 100.2296131 151.2620214 343.8631313 186.3525603 121.4309309 144.6462784 202.5323695 173.0271422 37.80918626 173.400473 64.79688656 135.5831259 79.17084617 32.41025294 47.05582436 166.5356063 414.4286669 68.19615605 71.17580967 389.3220069 307.6116312 130.8241551 78.8597138 88.4542809 44.44358278 212.4863959 115.1475797 115.4531677 82.47749933 62.13518637 174.9962943 115.7234523 64.32600763 51.25259565 323.354482 137.8936555 199.9093738 56.42955624 11.65894677 197.0983813 230.1726574 93.8360645 99.41662976 63.79153667 81.15113357 55.3047878 161.7955406 61.04273677 90.76150556 65.16837952 69.72543009 228.4257685 81.62604635 156.9580848 93.97431054 73.43254775 103.6699798 234.8022198 86.36508914 43.99299224 43.74028679 63.91605794 37.59687531 50.91423805 104.0715079 96.41290972 83.18087845 266.2606838 131.8559715 53.06261828 114.6090008 133.681205 120.080235 130.1315615 151.4203655 L-Proline 471.8609308 207.8471965 3445.968357 332.8023885 780.0253313 1189.695226 2510.27138 1184.061896 496.7566631 3903.415076 1093.626632 2142.996609 783.3763702 991.8253986 279.0619606 1915.943453 1360.493839 3450.236841 732.775357 764.6458072 1568.300051 812.2897835 1797.719649 1161.823812 1418.415999 2082.341909 3471.876357 969.5108326 1265.752497 631.1235875 532.7360043 806.1371852 770.7213337 854.6069487 544.5289078 254.9559066 993.699419 927.7480097 229.5159023 927.183838 359.0328008 1106.479527 416.8359478 954.2686216 665.9620476 833.0153519 1265.711395 581.9752454 320.3138749 1448.066929 1788.597029 1816.30947 672.5419144 595.1812213 176.0964811 10064.39368 5741.699643 2930.068754 281.3403464 414.0808275 798.9758456 913.9015136 785.3222725 1874.998663 196.110188 666.5127514 260.7708496 1781.015644 876.7583771 514.0391065 206.3663412 860.5713263 680.5803601 734.1689464 308.6597505 840.7640361 1077.608253 431.3740417 789.1654302 494.7189264 433.7060172 985.9277729 639.9919741 195.9063244 612.513283 992.0184461 265.6929662 1197.540345 603.6317058 602.6579531 183.327091 1252.485686 1179.795722 1229.101453 1030.540217 1153.254507 Lysine 236264.6272 152596.3958 386085.3181 24976.53886 153623.2061 304274.9264 791458.8967 382815.3311 53172.71907 295245.2055 882598.2108 159246.7318 84473.59541 131255.1065 20520.13586 680942.5851 290584.0029 46004.38574 75019.07029 38695.06808 197339.9986 878874.6046 284264.0727 131520.3736 356419.1778 674606.0909 889414.7112 182311.5044 97942.22935 37910.17667 57845.70281 613773.5033 30431.82938 52458.27424 23113.93264 201533.4324 78138.54151 1941936.175 26244.40314 71163.44358 63041.18155 288956.843 105072.4574 59882.7476 70340.89916 90140.70689 335869.4353 339421.3644 358573.4959 189707.2296 364248.0564 200807.6042 152862.525 204812.3214 39929.85944 419936.7311 100468.6043 203092.0146 300047.2512 66025.02165 558716.4411 256030.59 88582.55135 177887.2484 20482.81571 197388.7434 81254.24735 226620.4525 102441.1357 110339.0014 29446.43627 62292.76213 128914.7424 78972.54581 42753.08393 118517.5828 38548.89023 51623.34352 78942.60471 34991.55958 23324.11142 64884.15214 30667.0278 23175.19513 161737.793 323326.6144 47126.82256 70242.42789 179550.2473 185969.7145 100894.3002 224042.1538 219851.0032 220571.5235 228501.9889 226746.7939 Melatonin 0.526897765 0.564666713 0.397687323 0.752914557 0.669880921 0.528714046 0.680062341 0.795229105 0.3623883 1.02200924 0.391985221 0.920596053 0.395839803 0.544420908 0.689111281 0.568832671 0.431609377 0.760576951 0.445063999 0.567171134 0.504791724 0.612383824 0.458487642 0.479834802 0.518136922 0.758484189 0.572523828 0.495469163 0.908586228 0.531406354 0.71675842 0.560865282 0.869927289 0.904318336 0.60906218 0.570253249 0.496599573 0.823544383 0.476732568 0.393913225 0.33199875 0.844078815 0.52675565 0.597781957 0.677598189 0.647708409 0.539516601 0.709309791 0.762413669 0.641470624 0.990839114 0.645757862 0.628807691 0.593138396 0.498392615 0.427228631 0.820119416 0.742369976 0.484749399 0.695040635 0.69488716 0.410833694 0.487300747 0.907841321 0.482351785 1.292618756 2.148330076 0.848416558 0.821231157 0.538575324 0.535137737 1.425430908 1.049773171 0.634530051 0.379234563 1.06382423 0.803104155 0.618397367 0.365251475 0.633952325 0.732704631 0.933485417 0.570632273 0.62898909 0.41089378 0.527207024 0.5032701 0.370498442 0.593631635 0.560787135 0.470410181 0.680662553 0.522937557 0.816613102 0.762894297 0.382501113 Methionine 1353.571594 1261.479075 669.12384 285.3148551 1182.162408 14189.00687 2639.285157 1892.011191 118.845704 681.3343534 3769.555623 1055.507271 201.8492024 286.6101208 582.523808 2690.495947 2246.861095 129.8298206 670.1150957 185.9894009 1438.933908 321.6143574 3306.832495 807.5023036 4265.423355 4292.931578 3239.48842 552.8868454 202.0007419 436.6688689 88.67986436 1150.15192 57.74802375 132.3726782 604.3921274 836.8248917 420.2946246 294.7982805 91.79254593 202.7124544 87.34570835 314.6446907 534.5832132 144.6350788 244.2478147 671.8970057 77.80621933 171.9751609 993.4361351 41.05913231 120.180611 2746.509848 359.9140148 1348.219505 1588.947832 294.4348598 1697.042759 569.3938751 504.8214914 170.4728777 387.6401864 699.7116353 1484.652374 317.8251036 603.7179878 204.3307532 311.6709992 1123.984501 1064.557248 163.6412549 63.35681212 269.0049314 171.9423502 625.3238571 15.85097073 623.8658381 269.2968985 105.2201545 56.15430834 13.14287301 24.82557142 191.6816517 110.1578454 4.780116083 171.9423502 677.2305965 1019.677476 700.4319947 169.9724575 2679.040288 719.7179566 312.0216846 295.7687892 271.931561 298.612829 336.9396999 Methionine sulfoxide 373.1273488 126.1300338 400.0046247 47.4090667 179.4680788 1038.537283 732.1704101 124.9564916 271.708545 391.0322827 1241.921647 285.3723453 218.7387685 382.4878496 121.5268131 1541.859317 519.7976236 110.7003363 341.884251 271.6638513 372.4295627 1190.390936 1144.087573 425.5845732 915.6780534 661.9237553 411.8346702 249.493884 124.5984389 77.82170077 120.9269683 165.8737961 100.9464078 142.2720069 39.08706971 104.8723065 112.5548845 225.6614632 59.94098889 110.1130872 58.12085525 205.5423898 67.0130732 93.14263275 185.1723861 103.4381599 220.0042822 87.08472848 120.5595693 328.1711014 210.4502583 201.8916731 315.3010649 195.5095302 160.3603368 213.6302636 448.0158365 642.19386 103.7401189 125.2579086 307.0622481 208.7900646 93.63192935 343.8076211 74.90327456 318.9784316 78.68773795 250.8192769 136.9415284 103.9091834 85.28859052 188.854682 93.02558971 191.7223614 72.01347129 245.8242534 83.66331395 62.9933297 151.9415746 54.73748423 93.34864356 206.0361168 132.4327181 61.74593675 144.6707553 209.544224 66.570222 183.0800178 81.40772553 177.3857648 61.66823573 306.9362188 299.4641723 300.7567292 338.0267552 312.8921439 N,N-Dimethylglycine 1112.327856 113.8886238 4707.456344 158.3864694 764.5536903 377.7654937 1023.23144 483.9555427 495.4886176 137.0863948 990.2894262 1225.399232 202.7070264 325.6192583 72.94896674 1912.538941 918.7827022 335.9748303 678.3204123 1005.500765 727.4943024 576.0877944 353.4780035 332.5020229 728.5407087 312.876223 1609.763124 1636.983309 753.1071265 195.2256833 234.2645335 500.8007281 275.7494675 475.6922956 1078.706247 452.0888532 900.9983718 1522.813017 328.5512812 290.5843257 207.6199152 771.4082338 458.2746743 626.5525067 654.7522172 420.7600243 819.6146498 627.5637811 224.7840771 1426.240255 1464.334136 1055.420422 892.6334191 156.0412248 121.5266246 795.5247997 559.6508805 941.7478897 488.2004159 658.4986938 1033.58973 1548.236777 374.2287919 658.3840948 246.869868 1386.0298 266.2722484 1228.416605 856.2755223 334.0658019 418.5968163 860.0882768 429.4270354 513.9442107 731.8866153 582.9222549 700.937984 861.0095125 894.3952263 461.3348665 441.3355102 712.9252613 462.2026677 423.101647 572.2506703 751.7663525 283.826018 664.7929395 811.1147287 673.6750783 206.1303041 813.6176786 713.2580531 784.3059575 654.3740369 713.5582852 N1-Acetylspermidine 6292191.408 391022.437 2685734.107 2434442.58 1343403.744 2738022.233 2805476.243 1341758.08 906344.626 4610038.641 5547177.771 1429492.576 1295916.05 1528723.815 428137.0115 3232247.614 2088432.476 241517.2093 1359413.935 1105202.977 2223531.779 536610.1755 1019953.194 956345.7794 3106901.27 2282623.574 2604535.007 1128609.53 1716193.098 526675.8143 608404.7114 1628728.953 1019795.172 674258.0375 407417.1249 574977.9237 2233842.807 2736597.943 304025.5924 572696.7315 2949713.639 4592978.214 587318.7568 1008206.207 499223.5177 545706.0972 1677553.261 591710.1951 799809.5571 777124.8246 831842.2321 1162789.178 586378.3165 294978.173 480888.1634 668943.1669 859505.4687 709664.2768 161707.9656 338132.2314 917176.0945 643511.925 370352.6193 1215764.091 141093.4419 1994566.813 579638.588 1145283.126 615737.2758 1075638.421 334417.4361 901657.933 700526.7405 613788.1904 754310.2757 700686.1286 630709.6261 447739.8982 1125067.749 569342.1866 285838.2683 702346.9195 474816.2129 243727.4974 371389.9106 375374.9225 261531.2412 1118982.549 967786.8218 482298.7596 307916.3438 1378724.358 1381832.002 1326202.963 1317224.245 1384089.347 N1-Methyl-2-pyridone-5-carboxamide 21058.13731 17012.93627 17751.88864 5394.281645 13788.62979 7517.029861 9157.594293 12542.17934 7858.067683 10811.77139 19639.4868 16862.23665 26358.8341 26715.51837 14708.91348 43223.55299 5169.43211 9552.883309 28313.4677 28133.33941 7538.243271 54392.96737 25709.26689 16987.96608 8126.383012 95179.13349 24361.37935 20525.89897 11099.39553 11078.85691 14893.03465 38163.14397 12356.23742 17656.43951 2996.476617 17447.1909 15292.32732 8839.504808 10440.3243 15251.85367 14171.38153 15887.10228 3591.349616 17505.19369 8783.204368 5746.661964 10142.27484 9806.405807 3812.089 14345.09666 30848.27568 4261.193603 16693.34903 15872.18248 11386.0056 27315.3782 28913.0496 2602.296026 7231.83237 14662.75586 32682.64276 16073.73528 11981.71798 26917.47317 5456.120996 24130.259 6615.482403 26865.57165 13955.18755 21298.56857 9840.908651 6561.095751 14490.82562 14188.89003 9353.05235 37032.51221 13206.57354 10005.46406 24647.81597 20362.88702 5378.041661 26578.56485 9262.596159 10825.10489 14541.11496 17444.14352 7235.222981 13658.17422 21874.15226 5158.322462 3609.959267 15254.80883 16653.1442 18545.57128 18875.23669 19182.14694 2-Oxoarginine 1185187.646 732822.9805 1483054.016 902263.7733 547554.1896 576104.497 2179891.696 773923.5304 2236764.009 1770399.455 681444.7599 868296.9245 2619411.598 1050156.845 210312.7715 1938137.825 1017369.314 579254.5739 2021885.723 1243243.449 1311645.423 1681319.016 399967.6776 1902378.969 3050762.79 1654079.833 1143599.653 3789189.754 883445.157 707440.9208 1114062.705 878315.7626 1267213.387 1147816.396 444148.0218 625899.0493 1189273.703 2790614.125 700163.5525 1943546.475 884634.4264 3387059.755 715862.8995 1910623.458 915435.9116 948735.0004 3258335.108 894593.7375 345739.0862 2096889.454 2287777.593 1241058.323 1854029.673 343427.187 573430.3932 611821.4008 502348.8571 881312.4436 468635.5696 664172.1481 1866793.985 1083027.47 516209.6573 2657022.086 360541.421 2634807.642 1481192.058 2131335.214 1511685.747 1789004.292 534943.7891 3331698.946 941600.3008 1408988.107 1835159.214 1405640.227 1409457.426 968438.0757 2078372.933 1434761.41 682857.7185 2749845.039 1372729.805 864862.7588 932587.9198 1424390.072 395986.624 1237358.874 1285565.189 639619.9408 474923.0073 1491514.865 1186035.694 1550948.225 1467889.317 1591845.505 N2,N2-Dimethylguanosine 8506.774389 5218.433715 13173.97096 8953.964745 4574.545533 7193.596973 18663.30612 7058.70429 12897.85885 432.5894822 6867.055828 8989.402838 17528.22308 6120.086945 2188.586704 21572.06277 8993.097378 3972.650815 21578.07496 8833.192965 11191.14098 9261.830232 4218.54961 13750.14606 22577.75712 11387.94079 14951.00371 15525.28025 9389.800217 3915.110936 8029.677184 6137.617473 9556.920165 8653.669985 4342.790308 2953.41515 10294.12121 17256.88684 3304.167471 12164.37657 8582.498388 23066.23785 4594.569082 8827.307331 4222.535577 4771.538181 23082.80264 4498.644832 3382.4883 12523.39567 15884.47432 8625.458987 11333.49056 3647.748331 3661.370285 5609.19503 6267.276552 9388.098917 2635.015424 4084.141094 16918.73453 8225.536294 4435.575008 30066.10942 2083.285377 15436.71708 7726.412569 18559.16799 11155.82187 13959.13806 3381.945911 18330.40278 6089.221863 12548.39911 12759.12077 16193.68272 8830.230398 8377.284775 23443.42298 14061.35402 3826.559585 24516.64285 8611.383688 3762.405857 6250.010758 9483.279614 3547.306983 5186.902126 7099.033713 4166.684858 2922.0166 13903.84281 8978.982569 9592.612584 9762.474155 7712.687295 N2-Methylguanine 344.4210013 155.6010732 272.5446877 282.933957 123.2784863 237.6398715 547.0985133 236.4458289 372.2376885 1459.625687 219.2361693 185.5453676 649.6038116 224.5777531 60.27832937 634.9362518 210.2489499 147.9390376 356.5262733 149.7952876 456.119259 399.513533 211.7575457 394.7365238 370.8026591 382.3637904 212.1578578 567.8985507 346.6118363 49.77752741 326.4950044 165.4388982 353.6708649 394.3695638 46.63856696 167.3282403 244.3948422 502.6314605 180.7840467 332.8209007 636.271238 485.5920096 207.4977361 321.1737445 287.2145417 455.8923115 619.2030879 231.090177 102.8598289 286.0705197 362.8132454 302.3261526 300.5345573 186.8219626 107.374634 203.6084199 165.7627927 234.8442088 140.637782 269.9886244 200.3145472 263.5043401 255.7984052 385.8471054 102.7945113 426.3285668 210.5506018 809.3721005 369.6280211 320.8147815 100.7394566 535.5151187 290.4974011 307.160341 278.3843677 171.1502214 236.6531346 228.6708973 389.8572 465.2141038 213.4955716 342.3262084 254.3487121 144.8879574 263.5464997 257.7916163 114.2883609 227.6138596 391.7948384 163.3519356 145.1319234 288.2717267 295.0686746 280.0418036 337.962649 345.0053088 N6-Acetyl-L-lysine 4477.96922 1354.832646 2525.180907 1330.458156 1270.201358 3196.782214 8779.206059 3993.835817 2750.91117 4085.541469 2340.892616 1676.435575 2524.730106 2152.368582 404.8717025 5710.574393 2943.667491 602.0890155 4377.66774 1248.72458 2537.468507 2065.948293 2224.459521 4560.517137 5904.262027 3422.308726 3656.029862 4090.722863 2021.874387 585.1828914 2361.619296 3320.355636 1169.039592 1842.412624 516.3256089 1362.305817 2859.840238 5495.463115 988.3705482 1764.664436 2175.011758 5592.22395 1883.66848 2170.282029 1492.959601 1880.850624 4189.587895 2418.887762 1676.396484 3550.527086 4669.972247 2733.702542 3498.919092 1208.820854 1095.048423 2252.33033 1614.192994 2757.63015 1249.622369 2204.147416 4526.377336 2054.344606 1349.107689 3395.654984 635.1028974 3487.352934 1819.01761 4435.322405 2190.31275 2354.807673 1040.632023 3920.358685 1714.222258 1731.423645 1827.979058 3211.874494 1769.68637 1975.633908 3135.382826 1856.665094 955.8411854 2036.946122 1719.720413 1141.785229 1506.837724 2648.301354 1074.398537 1901.26098 1904.839833 2256.551811 1552.102895 3132.971573 2405.131647 2515.836672 2337.002964 2444.347831 N-a-Acetyl-L-arginine 2021.496872 1955.100614 3156.956856 1677.304102 1202.86382 833.5462842 1789.130657 1420.533454 5080.085776 4018.323812 1239.914844 2089.551422 4601.668187 1823.885944 850.8043452 3674.691727 2082.754766 1019.925229 4868.784889 1211.352546 2603.897429 3053.929089 1318.429057 2097.148461 4274.379845 6137.116095 1988.577563 4645.337343 2210.387508 651.5979203 1956.606811 1863.391924 3189.047133 4698.605469 568.7626536 1386.373837 1108.828964 6155.901868 1515.476574 4897.031561 2116.122767 3590.634927 935.1966232 3359.057597 3899.627771 1806.150071 3032.494696 3109.182907 1457.854857 3633.30169 4986.807909 2563.645002 2509.656596 1346.583165 1461.099409 1701.681354 1150.022271 1945.053759 1319.207008 2146.874018 4750.426386 2861.226333 1623.694243 2984.460127 954.3064417 4880.262387 2460.328234 2209.563499 3262.214099 3224.116337 923.4513443 4981.171923 1563.449253 3589.790066 3611.934969 1197.699238 2089.37459 2218.508549 4388.070474 2450.203685 1116.356655 7731.115974 2941.665134 608.1868234 1461.851208 2292.721134 1639.070519 2749.868698 2169.474167 1419.086654 570.4697555 3906.583376 2789.245707 2978.177665 2672.759225 2500.546396 N-Acetyglutamic acid 3026.858677 1213.573453 2878.321269 1634.990881 1172.073442 1588.656734 2750.187959 2629.460357 3118.99309 7471.910077 1326.947417 1719.721361 6226.889631 1809.051691 779.5699542 5221.038297 2421.859688 1264.750084 4386.325885 1533.136139 3866.502962 2605.329588 1295.995672 2671.87684 5063.7981 2078.274598 2233.713368 5937.162674 3176.280589 912.442626 3414.681012 1082.940552 3353.070279 4312.769955 424.8950541 1256.606021 3439.830182 8031.653539 1280.688204 4009.363386 2442.486381 4674.956468 1531.556217 2738.73613 2680.58525 1875.313988 3842.114184 3227.814631 1290.478966 3893.714828 5806.762633 3104.500301 3474.028064 1434.39462 839.0218325 2313.129676 1291.285797 3364.968207 1527.179265 2870.598407 6144.567115 4132.963187 1601.329635 4534.944535 2123.841562 6253.683979 2573.233343 6289.210966 3328.473589 2970.693073 1734.015649 4680.90361 2911.477723 3313.083861 2703.808706 3544.84895 2932.386759 2252.968952 4495.074653 2590.82443 1597.745261 9589.554113 2628.314811 1879.363252 2979.477892 2282.758667 1238.114199 2896.388049 2455.554276 2067.393571 1249.92625 3010.866818 2847.925647 3227.757074 2912.989304 3367.260457 N-Acetyglutamine 1724.458972 1743.89221 3608.66293 797.7895713 1551.164253 1427.031667 4039.372995 2602.464262 1368.82892 5501.908438 1272.419439 2649.59685 3907.075682 1544.72047 1206.478447 8152.46622 2923.384118 792.7284601 3248.950069 596.6693006 2418.390915 4286.105792 2441.642008 1888.619987 11348.35696 8373.044621 11787.52489 3462.608382 2351.234016 404.5477863 1833.925654 3797.955393 1960.781738 3515.526489 210.6670838 1983.620938 1205.813907 4085.650296 1662.728465 4816.917342 1749.305651 2624.624235 894.9916492 2446.879301 3771.070356 2093.43394 1984.527689 1692.733664 2816.392922 2440.943038 4222.175864 10042.58028 2432.442598 2880.681774 893.0124147 2763.160406 4606.008797 16954.19681 1769.607244 1741.001904 3536.111844 4898.25864 3443.02961 1599.922454 1269.223641 3421.384601 1486.877424 1887.772507 2552.370613 1191.176678 1482.215903 1431.973947 1552.593776 2182.743292 1923.430142 686.3439786 2049.811069 1625.3474 2836.81757 1209.316315 633.9032813 4642.031508 1336.896168 349.387519 1476.335415 1284.800742 1687.329756 3191.381807 1101.699071 2826.40384 710.3630217 2846.886363 2569.973507 2891.191462 2475.797276 2669.207745 N-Acetyl-beta-alanine 3898.076355 835.7528611 4226.324457 1940.179173 4373.861143 2851.420467 7296.400054 6283.150619 2554.6695 3201.504582 7092.251499 2731.983094 2768.405574 2207.867641 508.929588 7069.595543 7689.96076 513.0269082 4973.666217 3001.711506 6791.943241 4670.170167 2438.875156 2035.54849 4697.010073 1700.599011 4664.752139 7805.50946 1285.169065 1081.868906 1917.712227 2688.33794 2841.519353 1597.711365 587.5688177 1231.557292 1752.929503 6591.398256 555.2860031 2196.332545 2298.700674 13172.51572 2260.124528 3411.272906 1515.072345 1038.627053 1906.251123 1375.146564 917.0591669 7740.315945 4131.626493 15293.50045 8004.054097 605.5287231 847.7230081 3435.181608 2918.227925 2384.090994 899.9075076 1411.898905 6035.593208 3643.720895 3247.331345 11118.89288 464.966541 2732.668359 4300.216612 6091.32455 2854.268009 978.7420611 1434.327872 10786.79248 1991.284414 1880.615825 3239.034692 2440.300103 2961.286991 5815.262837 5155.661786 1215.167535 1432.542553 2923.618991 785.0079675 2455.686593 3448.038874 14216.24559 1027.600008 4463.712335 7207.71814 4653.123415 1066.761215 4278.389733 3388.774476 3902.476199 3607.631496 3227.725318 N-Acetylhistidine 677.411919 717.4894663 1526.014713 441.8623252 263.5998299 311.1588789 826.7637697 554.0515245 1214.13375 1406.073797 386.7385108 496.0530294 1728.188926 300.2894429 188.4057932 2016.191605 652.9729567 279.3996925 1357.02417 444.7407327 1213.351262 1443.663555 780.2954023 785.8344833 1644.658804 1421.707923 1045.284381 1373.569064 1010.209737 236.0809845 914.0049591 724.2570551 1021.335749 1660.766867 131.6345232 854.3344379 488.0512176 1653.169621 558.8565675 1249.835145 751.7291368 1258.741496 472.3804 1137.729013 720.9515342 647.0366847 987.6544175 683.3088687 511.912208 1208.160225 2416.672135 987.177983 1254.545452 755.2220043 446.5839843 656.9136956 409.3700126 1391.596665 526.1543414 809.0798606 2577.505409 1215.949473 475.2894022 1140.275971 306.4433239 1444.654786 670.818717 1151.436818 1323.239349 953.5848911 460.1426476 1806.133706 543.5278345 1015.038629 772.970953 598.9524638 632.2940081 891.5550641 1803.612028 663.3499018 404.4695055 2026.485512 949.9875806 255.5931479 471.7486322 782.016525 486.606886 1297.088849 1060.650584 1181.204979 363.2771229 1388.115903 1019.184573 1032.4589 880.5825336 905.9587623 2-Pyrrolidinone 46600.84025 18271.75838 98037.46675 73205.3693 39495.01622 89492.344 93951.80309 52126.09717 55028.24684 60554.82683 56681.99882 112961.7522 88864.35849 55373.71565 24541.50929 134900.5806 38217.19147 44139.28836 39531.5363 57907.65332 84187.83298 94834.49057 49066.1202 45544.67048 229311.2332 110595.209 166346.4239 95717.52693 129272.2148 46857.30662 43044.07604 341888.1892 46313.45277 38772.48893 42485.21013 19218.28249 50263.93667 74860.87981 24502.90748 59183.22159 49173.64816 101623.8436 31649.47397 42151.7073 38150.44238 32256.67453 63560.71992 45471.45899 38511.63171 52137.17696 54671.32901 116428.7993 49318.61925 34507.4557 20608.66014 49484.39843 38751.76526 32274.87085 14451.03579 38339.23548 60871.67502 36553.01626 23179.75192 109918.9955 10314.80832 85916.95008 42055.52443 75777.99242 65391.65101 57005.96266 26054.47828 101485.0203 66260.30121 28273.55207 40050.41625 51260.45933 46945.9783 26716.0849 80142.20138 52584.87351 25032.20196 132320.1885 47422.96952 23604.29696 24924.00688 55861.2235 14421.28996 32248.34137 42038.6588 23012.59004 13328.24649 46165.15151 64899.40695 63458.88203 65156.8147 68598.13168 N-Acetyl-L-alanine 137.0951034 43.62509749 486.122525 71.10289559 275.2192615 1064.095377 815.3669699 636.0669893 121.1557117 1154.178125 671.1901995 612.2881489 205.7595159 87.84503533 63.71085021 1799.496012 1263.362572 268.0741117 80.50607573 198.2502491 766.3312077 283.3693857 787.1006744 60.8664916 302.6156668 435.5406694 2797.745684 357.5646575 460.0112587 121.9193239 131.5374163 395.9802569 111.0573302 170.0337931 159.2108619 93.74012394 175.0046541 687.9114699 61.82347953 211.9595162 164.4128104 265.3313008 220.9139933 206.2899603 189.2796385 109.2933148 155.4551461 268.4497165 356.3427386 524.1588368 128.5232099 844.3666474 397.8014663 123.0435478 27.67468279 748.422468 697.4034714 1420.951091 273.0684815 249.4841169 284.3957851 395.0548883 116.843303 694.2140109 148.2845976 132.9762717 149.3629808 177.9288345 195.5858161 106.854184 32.9324565 226.4340158 321.0904314 116.8874445 44.5606217 948.7568753 194.7730383 128.347644 217.7496389 105.5605403 81.33421502 245.7329114 141.9166382 88.75869011 169.2882379 170.3854971 69.25214311 252.1001994 128.9361013 612.946356 84.50264264 379.0715586 393.0245126 352.7007669 354.3359817 359.8974894 N-Acetylleucine 2707.097879 766.1482915 2538.872337 1148.838843 695.4475171 1103.104735 3132.899207 1238.239553 1930.931863 4968.126432 1037.708361 1737.085899 11488.87036 1109.188972 358.1895974 5025.808955 1939.927174 961.2742494 3305.817483 1687.231734 5133.681893 1986.088675 1224.462193 1590.670913 5799.693909 2314.049539 2357.494247 3499.864333 1615.457285 1016.525766 1757.78196 1300.252574 1876.018449 2464.477722 462.0971102 901.6035131 1570.263251 4758.320196 681.1840404 3061.328209 1654.5345 3118.999305 1177.847927 1510.605209 1840.199239 981.7719503 2167.922259 1215.895466 567.6016127 2234.168581 2803.485089 1980.584733 1974.190928 717.3860232 568.542495 2214.337339 1181.919811 1981.491807 924.2789305 1475.866702 3026.526526 2411.778479 1277.427151 2284.774018 735.1220795 2880.211646 1480.710652 2298.330806 2668.981397 1613.140171 854.8374388 3326.305817 1456.171863 1809.458982 1560.505631 1099.418407 1695.198366 1302.992805 2818.507785 1280.11878 738.6282693 3545.271571 1624.653963 782.2988266 1284.139005 1507.745829 575.651382 1887.524069 1222.689322 1193.38749 430.2333541 1907.241022 1965.897914 2012.189217 2064.993153 2025.299128 N-Acetyl-L-phenylalanine 203.6850422 25.8578387 1578.005223 121.5823595 277.4365356 320.0281408 271.7992996 151.0115321 114.1104056 163.9972903 558.3799136 1137.148897 119.7668971 81.14430744 167.0994451 1762.757245 204.1649276 327.127765 158.1649757 142.358915 957.7911436 160.8378758 1614.756277 85.40981273 308.6988235 367.0363614 862.5437719 125.3882095 438.9961423 182.0747884 125.3604037 1200.123429 197.6072552 127.4148351 533.1847186 63.59285906 96.80365073 204.4471021 41.90471219 180.8192488 201.0267118 203.650284 106.9387558 161.9429546 409.8623319 63.36392302 72.72576308 157.220002 166.5817558 217.2404284 168.265263 321.8267669 167.6153065 110.6509807 60.80504167 309.2511552 639.0424268 383.3016961 52.6458453 135.9973244 243.4891801 117.0442098 119.3320697 319.7885566 64.59623672 234.599732 83.21135183 205.3997467 387.7167108 61.1827544 34.43384313 328.7101314 108.3903286 110.3356252 54.84078075 201.3294801 113.186594 77.53296398 188.6292008 65.15775383 89.5759244 376.73368 93.0429774 43.20688766 67.24452714 86.51129705 60.94352895 86.67906672 209.2757965 274.807909 34.78804775 285.7877463 266.9134448 276.0390318 243.9541021 271.0266642 N-Acetylornithine 47.45227142 35.35436615 91.3084765 51.48365063 42.62429529 30.04432808 30.18947362 35.3446678 105.7927792 178.5630456 30.00650659 56.96568833 80.76088222 28.17136097 28.51889898 131.9773247 44.10220538 38.91532984 65.91696945 66.51596375 127.5981178 51.64127343 28.25365899 36.54738726 74.90347147 219.8525666 57.73475855 121.6426307 103.6454267 23.37939243 36.01333373 58.78933207 58.03419614 240.4380925 24.45569163 23.5873448 48.71682939 162.5108539 35.32772226 159.5802629 69.77324919 64.72983164 16.92314639 66.46735692 129.4173244 39.29513071 66.31745999 91.07084919 27.68530385 101.5366767 61.00719096 54.13685601 67.06457738 21.61337178 33.73809013 27.28364804 37.14624442 63.68547894 19.86268944 62.21664394 83.43609116 66.29183154 33.96163608 94.28213519 21.62202718 143.2309653 100.4667544 89.77829978 72.22959893 70.11974565 31.42315767 193.4754088 371.2630641 76.11814819 91.93512143 54.79287546 51.88603614 33.36725568 83.45153472 52.84036165 39.24720877 181.2548283 56.04482183 31.25923582 33.20912591 70.33052478 97.98705376 53.36741735 39.74785797 17.07011364 8.611910746 74.08792055 65.70044831 74.31558438 71.66952528 74.54029728 N-Acetylthreonine 772.6654657 274.4648634 374.668414 2953.268276 122.8185182 704.4050232 2520.380488 1311.873427 2947.962116 2637.400499 373.2987869 1126.302255 2236.238355 1468.122891 96.09262069 7494.775477 1778.941119 1210.84486 3203.96399 2986.801944 5308.660167 395.4833851 647.6853957 3828.447018 3126.500396 728.2799691 420.8022162 1991.53402 1436.117228 2562.311673 2127.11001 133.7521483 663.8841095 1463.460563 361.5968203 805.388899 1690.736209 3128.746698 4997.148866 444.4853463 1643.2093 5840.038665 2265.682189 534.1809354 296.2779737 733.7761755 3662.290158 1290.153286 191.2648433 944.7181305 3673.876362 1697.491883 991.4479699 1009.185134 1215.694199 820.8602661 552.7572052 348.1735856 755.4252627 1090.269391 2612.682808 634.6151373 693.8227147 840.7836171 639.227263 947.5300295 658.8766216 2138.350707 783.0974455 1366.314918 503.8181919 5111.964094 3087.77131 623.6699875 374.1991317 2004.203096 3056.834248 444.2528775 2692.111467 2048.309984 218.9545496 1274.896668 262.8055261 960.1917986 621.6167775 412.165158 201.1969027 2689.095532 1782.062324 1096.442231 301.7618921 1663.522734 1532.278896 1943.28554 1564.293285 1529.441552 N-Acetyltryptophan 1060809.851 23582.41622 61539.67707 247069.0832 82367.81218 59515.23106 433426.2269 289574.9401 340934.1523 236058.7333 575167.1444 146558.6899 62605.14538 81530.71147 1552.610317 447719.0444 186845.2683 74349.9833 132085.5607 301105.8963 712991.2759 326629.9148 260176.1735 85677.15071 245802.5515 1005886.822 264948.0841 51999.69982 18521.37692 127744.1877 81122.84751 189709.3527 98400.11749 136028.3852 12099.64174 52015.82999 253054.4978 244343.9468 61713.66954 104957.1424 169337.9808 984147.7029 420421.7688 135295.6307 80663.84713 9733.033503 117447.3358 34421.51984 75501.38515 77196.52694 320864.1782 596222.3461 468683.0801 27257.98628 8917.505158 20736.82295 104718.7645 170196.6847 25152.36619 396827.1195 177348.8183 83581.07649 49403.73819 86105.05301 9967.844667 262522.7673 231537.8154 122740.0771 247024.8752 214691.5214 47519.01317 321495.9943 55376.50241 94307.4984 188845.0509 127302.3952 45650.88047 176359.0351 55950.94875 43495.05874 31611.77717 63816.27665 44059.69348 74066.17226 236684.0445 500866.8222 77795.16127 205860.6176 33868.91173 14665.64047 19300.33226 266961.3393 201893.4784 223034.3298 193978.3344 165384.9923 N-Acetyltyrosine 1887.950695 402.1287803 15184.0489 638.0822528 1666.771826 954.9771159 2694.330376 1649.369 1613.187013 2267.80134 3844.480136 6110.242528 1468.632418 607.953237 789.0921061 10666.71445 1662.368741 2262.272746 2810.577056 772.6297309 3060.805891 1367.533636 3008.41188 1191.961137 3144.706448 3049.729851 6100.860762 1788.597046 3465.766379 628.3193778 1448.710194 4786.794034 2021.394077 1404.279832 2167.981857 695.1235812 932.8608174 2499.926452 251.9301938 1870.399689 1887.393954 2639.005249 722.005961 2482.308662 5935.981892 948.8670421 785.9398464 2136.901896 1387.919888 2942.128141 2799.864919 3395.993893 2246.497597 720.2321999 403.2225444 1053.067799 2581.778178 3724.252009 818.8744272 989.5613659 5373.774489 2488.316169 881.3825323 3495.424528 426.5307177 3455.574148 813.5272599 6102.016629 3859.706955 753.4170102 320.5068598 8307.311852 1189.374488 1442.298705 609.0917101 1316.715767 1336.285851 1112.214242 2858.280421 1023.286484 1186.126424 4481.383326 951.1943664 375.6142451 522.0462823 1401.565362 828.3483454 1181.0471 1708.558461 2538.904982 198.6282477 2978.292741 2151.966193 2677.541203 2464.292913 2131.417781 N-Acetylvaline 9629.586692 2254.623881 8815.325635 2388.818339 1640.124679 2683.559464 10137.90941 2674.699748 7151.955573 20115.63234 2285.313893 52741.92912 11237.176 4041.475415 342.3825877 22743.16996 9688.370346 1405.616442 15732.45473 4984.600182 8344.122873 8843.340042 2324.236261 6551.974839 26583.34045 8612.160198 7887.560185 17319.7008 5287.138919 1171.067224 5802.742463 4527.759596 6144.203591 10106.88323 801.6728429 2410.194979 3999.968253 22038.19467 2071.300043 9337.323781 6858.895014 14418.9319 3167.471303 8135.34208 3180.28252 2235.473011 7765.361311 2879.91857 1044.522553 7796.153787 15480.308 10456.23728 7925.653507 2300.966341 1329.76661 3260.866654 3101.017771 4294.387195 1805.352655 3081.85409 14893.4192 8428.11135 2950.132194 8184.940523 1697.363436 10186.90873 4247.94699 8174.412687 7442.831292 5666.160815 1486.583203 10024.5017 3319.942088 7652.345173 7215.906196 3762.299895 5056.193122 3806.746554 12461.86852 4095.910855 1343.277156 5776.211089 4298.810047 1316.539301 2988.741315 5263.676522 1119.656079 6433.547037 3237.379774 3179.255119 966.5797488 6070.632798 5567.123055 6682.405382 5816.616536 5307.321899 N-Acetymethionine(NAM) 83.97465995 9.521215757 63.12809997 103.8429662 16.66515236 84.8675528 52.45163295 25.44184158 11.26794027 134.3478569 44.35907322 40.57597385 33.15270992 21.83770534 26.23508695 193.1096485 34.03405329 31.64790067 50.51343312 31.68533345 228.4025535 29.99907143 62.42259409 23.94116313 367.740647 45.44738507 107.8891809 35.60447887 40.7340536 12.51730143 23.91507009 36.75691614 16.90719877 26.02743249 15.3285999 10.7795779 19.19824956 53.04054549 9.767200263 36.02165983 19.36996897 40.36572175 17.32265194 23.54944775 30.32896871 11.35946501 27.18212308 19.0274733 39.27451053 32.34586624 45.51216344 38.61948822 22.03071404 20.03209621 16.59770118 47.53926356 423.2373003 61.53676197 16.93252213 25.92172135 36.98828244 40.40479875 20.61314719 67.91980395 13.28613478 34.51174086 18.04754281 48.80609496 36.62599732 17.39401153 12.2512199 29.61223884 30.87238035 28.44016464 14.2051403 43.65990133 22.02586727 21.78883668 30.22653206 18.26650366 14.75506166 43.31306722 14.65599265 9.699210082 24.17411475 20.97949929 12.90330394 31.2983907 19.85932449 21.85633521 12.0866933 41.83398371 43.46796752 41.63191099 26.35055558 45.56126582 N-Alpha-acetyllysine 1423.649832 971.8283335 1722.995213 1804.475331 330.605263 387.3355176 1104.340031 464.0567262 3706.948203 4303.041954 713.938411 749.847985 5777.070483 783.3386262 681.8147765 2029.347078 753.4353258 385.1033359 2912.616116 206.7349592 1902.891556 3246.882038 282.0966123 2596.301217 4667.011832 4702.98072 384.8461522 5095.44533 1337.497271 286.0199316 2355.588125 425.8968938 2913.868816 3201.702665 118.9665239 1148.300908 1214.745841 8243.539683 1185.566693 8246.402662 1287.769168 4087.791539 350.7517971 2503.150082 2388.418612 1289.073721 5434.118422 1448.432621 179.8978035 4400.746515 5382.283857 280.8606766 2797.656901 536.206194 1078.483727 483.8506427 286.1923425 727.0239066 1275.664258 2609.37026 7025.621471 1950.446298 448.9931427 2373.246815 570.2802488 6585.588741 1763.689914 2588.19096 2866.249568 4447.307084 605.4378966 9213.250003 1843.45573 3586.557586 2901.522094 1276.116231 1784.482706 1555.103755 4631.249076 2564.699199 628.9027551 10164.65349 2970.543311 686.9105947 1806.978643 2980.378846 795.6154341 1930.873376 1623.370443 675.1237771 582.3196993 1677.973447 1592.716666 1732.053129 1759.06939 1849.533684 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Class 3-Amino-2-piperidone Amino Acids N-Formyl-L-methionine Amino Acids Niacinamide Amino Acids O-Acetylserine Amino Acids Ornithine Amino Acids Orotic acid Amino Acids Pantothenic acid Amino Acids Phenylacetylglutamine Amino Acids Phenylalanine Amino Acids Pipecolic acid Amino Acids 3-Aminobutanoic acid Amino Acids Pseudouridine Amino Acids Pyroglutamic acid Amino Acids S-Adenosylhomocysteine Amino Acids Sarcosine Amino Acids Serine Amino Acids Serotonin Amino Acids Symmetric dimethylarginine Amino Acids Taurine Amino Acids Threonine Amino Acids Thymidine Amino Acids Trigonelline Amino Acids Trimethylamine Amino Acids Trimethylamine N-oxide Amino Acids Tryptamine Amino Acids Tryptophan Amino Acids Tryptophan betaine Amino Acids Tyrosine Amino Acids Uracil Amino Acids Uric acid Amino Acids 3-Methoxytyrosine Amino Acids Uridine Amino Acids Valine Amino Acids Xanthine Amino Acids 3-Methylhistidine Amino Acids 4-Acetamidobutanoic acid Amino Acids 4-Guanidinobutanoic acid Amino Acids 4-Pyridoxic acid Amino Acids 5,6-Dihydrouridine Amino Acids 1-Methylguanosine Amino Acids 5-Methyluridine Amino Acids 7-Methylguanine Amino Acids Adenosine Amino Acids Alanine Amino Acids alpha-Aminobutyric acid Amino Acids Aminoadipic acid Amino Acids Anserine Amino Acids Arginine Amino Acids Asparagine Amino Acids 1-Methylhistidine Amino Acids Aspartic acid Amino Acids Beta-Alanine Amino Acids Betaine Amino Acids Carnitine Amino Acids Carnosine Amino Acids Choline Amino Acids Citrulline Amino Acids Creatine Amino Acids Creatinine Amino Acids 1-Methylinosine Amino Acids Cystine Amino Acids Cytidine Amino Acids Dihydrothymine Amino Acids DL-Norvaline Amino Acids Ergothineine Amino Acids Ethanolamine Amino Acids gamma-Aminobutyric acid Amino Acids 1-Methylnicotinamide Amino Acids Glutamic acid Amino Acids Glutamine Amino Acids Glycine Amino Acids Guanidoacetic acid Amino Acids Histamine Amino Acids Histidine Amino Acids Homo-L-Arg Amino Acids Hydroxyproline Amino Acids Hypoxanthine Amino Acids Indoleacetic Acid Amino Acids Isoleucine Amino Acids Kynurenine Amino Acids Leucine Amino Acids Leucyl-glycine Amino Acids 2'-O-Methyluridine Amino Acids L-Proline Amino Acids Lysine Amino Acids Melatonin Amino Acids Methionine Amino Acids Methionine sulfoxide Amino Acids N,N-Dimethylglycine Amino Acids N1-Acetylspermidine Amino Acids N1-Methyl-2-pyridone-5-carboxamide Amino Acids 2-Oxoarginine Amino Acids N2,N2-Dimethylguanosine Amino Acids N2-Methylguanine Amino Acids N6-Acetyl-L-lysine Amino Acids N-a-Acetyl-L-arginine Amino Acids N-Acetyglutamic acid Amino Acids N-Acetyglutamine Amino Acids N-Acetyl-beta-alanine Amino Acids N-Acetylhistidine Amino Acids 2-Pyrrolidinone Amino Acids N-Acetyl-L-alanine Amino Acids N-Acetylleucine Amino Acids N-Acetyl-L-phenylalanine Amino Acids N-Acetylornithine Amino Acids N-Acetylthreonine Amino Acids N-Acetyltryptophan Amino Acids N-Acetyltyrosine Amino Acids N-Acetylvaline Amino Acids N-Acetymethionine(NAM) Amino Acids N-Alpha-acetyllysine Amino Acids METABOLITES_END #END