#METABOLOMICS WORKBENCH KWhytock_20201026_071615_mwtab.txt DATATRACK_ID:2223 STUDY_ID:ST001515 ANALYSIS_ID:AN002511 PROJECT_ID:PR001022 VERSION 1 CREATED_ON November 3, 2020, 4:46 pm #PROJECT PR:PROJECT_TITLE Effects of glucagon infusion on plasma metabolome in individuals with PR:PROJECT_TITLE overweight/obesity PR:PROJECT_SUMMARY Objective: We sought to identify the circulating metabolites that would serve as PR:PROJECT_SUMMARY markers of glucagon action. Design: In this study, we performed a continuous PR:PROJECT_SUMMARY 72-hour glucagon infusion in healthy individuals with overweight/obesity. PR:PROJECT_SUMMARY Participants were randomized to either glucagon (12.5 ng/kg/min) (GCG 12.5) or PR:PROJECT_SUMMARY glucagon (25 ng/kg/min) GCG 25 or a placebo control were included. A PR:PROJECT_SUMMARY comprehensive metabolomics analysis was then performed from plasma isolated at PR:PROJECT_SUMMARY several time points during the infusion to identify markers of glucagon PR:PROJECT_SUMMARY activity. PR:INSTITUTE Translational Research Institute- AdventHealth Orlando PR:LAST_NAME Whytock PR:FIRST_NAME Katie PR:ADDRESS 301 E Princeton St, FL, USA, 32804 PR:EMAIL Katie.Whytock@adventhealth.com PR:PHONE 3219459982 PR:FUNDING_SOURCE Sanofi #STUDY ST:STUDY_TITLE A Metabolomic Signature of Glucagon Action in Healthy Individuals with ST:STUDY_TITLE Overweight/Obesity Humans ST:STUDY_SUMMARY Objective: We sought to identify the circulating metabolites that would serve as ST:STUDY_SUMMARY markers of glucagon action. Design: In this study, we performed a continuous ST:STUDY_SUMMARY 72-hour glucagon infusion in healthy individuals with overweight/obesity. ST:STUDY_SUMMARY Participants were randomized to either glucagon (12.5 ng/kg/min) (GCG 12.5) or ST:STUDY_SUMMARY glucagon (25 ng/kg/min) GCG 25 or a placebo control were included. A ST:STUDY_SUMMARY comprehensive metabolomics analysis was then performed from plasma isolated at ST:STUDY_SUMMARY several time points during the infusion to identify markers of glucagon ST:STUDY_SUMMARY activity. ST:INSTITUTE Translational Research Institute- AdventHealth Orlando ST:LAST_NAME Whytock ST:FIRST_NAME Katie ST:ADDRESS 301 E Princeton St, Orlando, FL, 32804 ST:EMAIL Katie.Whytock@adventhealth.com ST:PHONE 321-945-9982 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 33 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS HD1 FLHP-00006-01 Group:High-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD1 FLHP-00007-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS HD1 FLHP-00008-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD1 FLHP-00009-01 Group:High-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD1 FLHP-00010-01 Group:High-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD1 FLHP-00011-01 Group:High-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD2 FLHP-00012-01 Group:High-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD2 FLHP-00013-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS HD2 FLHP-00014-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD2 FLHP-00015-01 Group:High-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD2 FLHP-00016-01 Group:High-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo1 FLHP-00017-01 Group:Placebo | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo1 FLHP-00018-01 Group:Placebo | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo1 FLHP-00019-01 Group:Placebo | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS Placebo1 FLHP-00020-01 Group:Placebo | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo1 FLHP-00021-01 Group:Placebo | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo1 FLHP-00022-01 Group:Placebo | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD3 FLHP-00023-01 Group:High-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD3 FLHP-00024-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD3 FLHP-00025-01 Group:High-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD3 FLHP-00026-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS HD3 FLHP-00027-01 Group:High-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD3 FLHP-00028-01 Group:High-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD1 FLHP-00029-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD1 FLHP-00030-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD1 FLHP-00031-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD1 FLHP-00032-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD1 FLHP-00033-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD1 FLHP-00034-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD4 FLHP-00035-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS HD4 FLHP-00036-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD4 FLHP-00037-01 Group:High-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD4 FLHP-00038-01 Group:High-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD4 FLHP-00039-01 Group:High-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD4 FLHP-00040-01 Group:High-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo2 FLHP-00041-01 Group:Placebo | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo2 FLHP-00042-01 Group:Placebo | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS Placebo2 FLHP-00043-01 Group:Placebo | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS Placebo2 FLHP-00044-01 Group:Placebo | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo2 FLHP-00045-01 Group:Placebo | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo2 FLHP-00046-01 Group:Placebo | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo3 FLHP-00047-01 Group:Placebo | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo3 FLHP-00048-01 Group:Placebo | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS Placebo3 FLHP-00049-01 Group:Placebo | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo3 FLHP-00050-01 Group:Placebo | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS Placebo3 FLHP-00051-01 Group:Placebo | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo3 FLHP-00052-01 Group:Placebo | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD5 FLHP-00053-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS HD5 FLHP-00054-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD5 FLHP-00055-01 Group:High-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD5 FLHP-00056-01 Group:High-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD5 FLHP-00057-01 Group:High-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD5 FLHP-00058-01 Group:High-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD6 FLHP-00059-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS HD6 FLHP-00060-01 Group:High-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD6 FLHP-00061-01 Group:High-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD6 FLHP-00062-01 Group:High-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD6 FLHP-00063-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD2 FLHP-00064-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD2 FLHP-00065-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD2 FLHP-00066-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD2 FLHP-00067-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD2 FLHP-00068-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD2 FLHP-00069-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo4 FLHP-00070-01 Group:Placebo | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo4 FLHP-00071-01 Group:Placebo | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo4 FLHP-00072-01 Group:Placebo | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS Placebo4 FLHP-00073-01 Group:Placebo | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo4 FLHP-00074-01 Group:Placebo | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD3 FLHP-00075-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD3 FLHP-00076-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD3 FLHP-00077-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD3 FLHP-00078-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD3 FLHP-00079-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD3 FLHP-00080-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS Placebo5 FLHP-00081-01 Group:Placebo | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo5 FLHP-00082-01 Group:Placebo | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo5 FLHP-00083-01 Group:Placebo | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo5 FLHP-00084-01 Group:Placebo | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS Placebo5 FLHP-00085-01 Group:Placebo | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS HD7 FLHP-00086-01 Group:High-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD7 FLHP-00087-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD7 FLHP-00088-01 Group:High-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD7 FLHP-00089-01 Group:High-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD7 FLHP-00090-01 Group:High-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD7 FLHP-00091-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS Placebo6 FLHP-00092-01 Group:Placebo | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo6 FLHP-00093-01 Group:Placebo | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo6 FLHP-00094-01 Group:Placebo | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo6 FLHP-00095-01 Group:Placebo | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo6 FLHP-00096-01 Group:Placebo | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS Placebo6 FLHP-00097-01 Group:Placebo | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD4 FLHP-00098-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD4 FLHP-00099-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD4 FLHP-00100-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD4 FLHP-00101-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD4 FLHP-00102-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo7 FLHP-00103-01 Group:Placebo | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS Placebo7 FLHP-00104-01 Group:Placebo | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo7 FLHP-00105-01 Group:Placebo | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo7 FLHP-00106-01 Group:Placebo | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo7 FLHP-00107-01 Group:Placebo | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo7 FLHP-00108-01 Group:Placebo | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD8 FLHP-00109-01 Group:High-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD8 FLHP-00110-01 Group:High-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD8 FLHP-00111-01 Group:High-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD8 FLHP-00112-01 Group:High-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD8 FLHP-00113-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD8 FLHP-00114-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD5 FLHP-00115-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD5 FLHP-00116-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD5 FLHP-00117-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD5 FLHP-00118-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD5 FLHP-00119-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD5 FLHP-00120-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD6 FLHP-00121-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD6 FLHP-00122-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD6 FLHP-00123-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD6 FLHP-00124-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo8 FLHP-00125-01 Group:Placebo | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS Placebo8 FLHP-00126-01 Group:Placebo | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo8 FLHP-00127-01 Group:Placebo | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo8 FLHP-00128-01 Group:Placebo | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo8 FLHP-00129-01 Group:Placebo | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD7 FLHP-00130-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD7 FLHP-00131-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD7 FLHP-00132-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD7 FLHP-00133-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD7 FLHP-00134-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD8 FLHP-00135-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD8 FLHP-00136-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD8 FLHP-00137-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD8 FLHP-00138-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD8 FLHP-00139-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD8 FLHP-00140-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD9 FLHP-00141-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD9 FLHP-00142-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD9 FLHP-00143-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD9 FLHP-00144-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD9 FLHP-00145-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD9 FLHP-00146-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD9 FLHP-00147-01 Group:High-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD9 FLHP-00148-01 Group:High-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD9 FLHP-00149-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS HD9 FLHP-00150-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD9 FLHP-00151-01 Group:High-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD9 FLHP-00152-01 Group:High-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD10 FLHP-00153-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD10 FLHP-00154-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD10 FLHP-00155-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD10 FLHP-00156-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD10 FLHP-00157-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD10 FLHP-00158-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS Placebo9 FLHP-00159-01 Group:Placebo | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo9 FLHP-00160-01 Group:Placebo | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS Placebo9 FLHP-00161-01 Group:Placebo | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo9 FLHP-00162-01 Group:Placebo | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo9 FLHP-00163-01 Group:Placebo | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo9 FLHP-00164-01 Group:Placebo | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS Placebo10 FLHP-00165-01 Group:Placebo | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo10 FLHP-00166-01 Group:Placebo | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo10 FLHP-00167-01 Group:Placebo | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo10 FLHP-00168-01 Group:Placebo | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS Placebo10 FLHP-00169-01 Group:Placebo | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS Placebo10 FLHP-00170-01 Group:Placebo | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS HD10 FLHP-00171-01 Group:High-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD10 FLHP-00172-01 Group:High-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD10 FLHP-00173-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD10 FLHP-00174-01 Group:High-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD10 FLHP-00175-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD11 FLHP-00176-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD11 FLHP-00177-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD11 FLHP-00178-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD11 FLHP-00179-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD11 FLHP-00180-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD11 FLHP-00181-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS HD11 FLHP-00182-01 Group:High-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD11 FLHP-00183-01 Group:High-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD11 FLHP-00184-01 Group:High-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS HD11 FLHP-00185-01 Group:High-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS HD11 FLHP-00186-01 Group:High-Dose | TIMEPOINT:+23HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD12 FLHP-00187-01 Group:Low-Dose | TIMEPOINT:BASELINE SUBJECT_SAMPLE_FACTORS LD12 FLHP-00188-01 Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD12 FLHP-00189-01 Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD12 FLHP-00190-01 Group:Low-Dose | TIMEPOINT:-0.5HR SUBJECT_SAMPLE_FACTORS LD12 FLHP-00191-01 Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION SUBJECT_SAMPLE_FACTORS LD12 FLHP-00192-01 Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION #COLLECTION CO:COLLECTION_SUMMARY Samples were homogenized and subjected to methanol extraction then split into CO:COLLECTION_SUMMARY aliquots for analysis CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY Study subjects were admitted to the Clinical Research Unit (CRU) at the TR:TREATMENT_SUMMARY Translational Research Institute (TRI) at AdventHealth for 5 overnight stays. TR:TREATMENT_SUMMARY The first 2 overnight stays were used as baseline. On the 2nd day (Day -1), a TR:TREATMENT_SUMMARY baseline blood draw (-24 hours) was performed. On Day 1, a blood draw was again TR:TREATMENT_SUMMARY taken approximately 30 minutes prior to the start of the glucagon infusion. The TR:TREATMENT_SUMMARY study subjects began a ramped infusion (first 4 hours) of either saline TR:TREATMENT_SUMMARY (Placebo), Low Dose Glucagon (12.5ng/kg/min) or High Dose Glucagon (25ng/kg/min) TR:TREATMENT_SUMMARY for the next 72 hours (Inpatient). The Glucagon (GlucaGen, Novo Nordisk, TR:TREATMENT_SUMMARY Bagsværd Denmark) was administered under an FDA-approved IND (#136634). TR:TREATMENT_SUMMARY Intravenous (IV) bags of the study medication were hung together on an IV pole TR:TREATMENT_SUMMARY and changed out every 24 hours to provide a continuous infusion. With the TR:TREATMENT_SUMMARY exception of the 4-hour time point, all draws were performed in the overnight TR:TREATMENT_SUMMARY fasted state. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Briefly, samples were homogenized and subjected to methanol extraction then SP:SAMPLEPREP_SUMMARY split into aliquots for analysis by ultrahigh performance liquid SP:SAMPLEPREP_SUMMARY chromatography/mass spectrometry (UHPLC/MS) in the positive (two methods) and SP:SAMPLEPREP_SUMMARY negative (two methods) mode. Metabolites were then identified by automated SP:SAMPLEPREP_SUMMARY comparison of ion features to a reference library of chemical standards followed SP:SAMPLEPREP_SUMMARY by visual inspection for quality control. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Proprietary analytical software for integration and peak picking #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS scaled units MS_METABOLITE_DATA_START Samples FLHP-00006-01 FLHP-00007-01 FLHP-00008-01 FLHP-00009-01 FLHP-00010-01 FLHP-00011-01 FLHP-00012-01 FLHP-00013-01 FLHP-00014-01 FLHP-00015-01 FLHP-00016-01 FLHP-00017-01 FLHP-00018-01 FLHP-00019-01 FLHP-00020-01 FLHP-00021-01 FLHP-00022-01 FLHP-00023-01 FLHP-00024-01 FLHP-00025-01 FLHP-00026-01 FLHP-00027-01 FLHP-00028-01 FLHP-00029-01 FLHP-00030-01 FLHP-00031-01 FLHP-00032-01 FLHP-00033-01 FLHP-00034-01 FLHP-00035-01 FLHP-00036-01 FLHP-00037-01 FLHP-00038-01 FLHP-00039-01 FLHP-00040-01 FLHP-00041-01 FLHP-00042-01 FLHP-00043-01 FLHP-00044-01 FLHP-00045-01 FLHP-00046-01 FLHP-00047-01 FLHP-00048-01 FLHP-00049-01 FLHP-00050-01 FLHP-00051-01 FLHP-00052-01 FLHP-00053-01 FLHP-00054-01 FLHP-00055-01 FLHP-00056-01 FLHP-00057-01 FLHP-00058-01 FLHP-00059-01 FLHP-00060-01 FLHP-00061-01 FLHP-00062-01 FLHP-00063-01 FLHP-00064-01 FLHP-00065-01 FLHP-00066-01 FLHP-00067-01 FLHP-00068-01 FLHP-00069-01 FLHP-00070-01 FLHP-00071-01 FLHP-00072-01 FLHP-00073-01 FLHP-00074-01 FLHP-00075-01 FLHP-00076-01 FLHP-00077-01 FLHP-00078-01 FLHP-00079-01 FLHP-00080-01 FLHP-00081-01 FLHP-00082-01 FLHP-00083-01 FLHP-00084-01 FLHP-00085-01 FLHP-00086-01 FLHP-00087-01 FLHP-00088-01 FLHP-00089-01 FLHP-00090-01 FLHP-00091-01 FLHP-00092-01 FLHP-00093-01 FLHP-00094-01 FLHP-00095-01 FLHP-00096-01 FLHP-00097-01 FLHP-00098-01 FLHP-00099-01 FLHP-00100-01 FLHP-00101-01 FLHP-00102-01 FLHP-00103-01 FLHP-00104-01 FLHP-00105-01 FLHP-00106-01 FLHP-00107-01 FLHP-00108-01 FLHP-00109-01 FLHP-00110-01 FLHP-00111-01 FLHP-00112-01 FLHP-00113-01 FLHP-00114-01 FLHP-00115-01 FLHP-00116-01 FLHP-00117-01 FLHP-00118-01 FLHP-00119-01 FLHP-00120-01 FLHP-00121-01 FLHP-00122-01 FLHP-00123-01 FLHP-00124-01 FLHP-00125-01 FLHP-00126-01 FLHP-00127-01 FLHP-00128-01 FLHP-00129-01 FLHP-00130-01 FLHP-00131-01 FLHP-00132-01 FLHP-00133-01 FLHP-00134-01 FLHP-00135-01 FLHP-00136-01 FLHP-00137-01 FLHP-00138-01 FLHP-00139-01 FLHP-00140-01 FLHP-00141-01 FLHP-00142-01 FLHP-00143-01 FLHP-00144-01 FLHP-00145-01 FLHP-00146-01 FLHP-00147-01 FLHP-00148-01 FLHP-00149-01 FLHP-00150-01 FLHP-00151-01 FLHP-00152-01 FLHP-00153-01 FLHP-00154-01 FLHP-00155-01 FLHP-00156-01 FLHP-00157-01 FLHP-00158-01 FLHP-00159-01 FLHP-00160-01 FLHP-00161-01 FLHP-00162-01 FLHP-00163-01 FLHP-00164-01 FLHP-00165-01 FLHP-00166-01 FLHP-00167-01 FLHP-00168-01 FLHP-00169-01 FLHP-00170-01 FLHP-00171-01 FLHP-00172-01 FLHP-00173-01 FLHP-00174-01 FLHP-00175-01 FLHP-00176-01 FLHP-00177-01 FLHP-00178-01 FLHP-00179-01 FLHP-00180-01 FLHP-00181-01 FLHP-00182-01 FLHP-00183-01 FLHP-00184-01 FLHP-00185-01 FLHP-00186-01 FLHP-00187-01 FLHP-00188-01 FLHP-00189-01 FLHP-00190-01 FLHP-00191-01 FLHP-00192-01 Factors Group:High-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:BASELINE Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:+71HR POST INFUSION Group:High-Dose | TIMEPOINT:+47HR POST INFUSION Group:High-Dose | TIMEPOINT:+23HR POST INFUSION Group:High-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:BASELINE Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:+47HR POST INFUSION Group:High-Dose | TIMEPOINT:+23HR POST INFUSION Group:Placebo | TIMEPOINT:+4HR POST INFUSION Group:Placebo | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:BASELINE Group:Placebo | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:+23HR POST INFUSION Group:Placebo | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:+71HR POST INFUSION Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:+23HR POST INFUSION Group:High-Dose | TIMEPOINT:BASELINE Group:High-Dose | TIMEPOINT:+47HR POST INFUSION Group:High-Dose | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:BASELINE Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:+71HR POST INFUSION Group:High-Dose | TIMEPOINT:+23HR POST INFUSION Group:High-Dose | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:+4HR POST INFUSION Group:Placebo | TIMEPOINT:BASELINE Group:Placebo | TIMEPOINT:-0.5HR Group:Placebo | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:+23HR POST INFUSION Group:Placebo | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:BASELINE Group:Placebo | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:-0.5HR Group:Placebo | TIMEPOINT:+23HR POST INFUSION Group:Placebo | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:BASELINE Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:+23HR POST INFUSION Group:High-Dose | TIMEPOINT:+47HR POST INFUSION Group:High-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:+71HR POST INFUSION Group:High-Dose | TIMEPOINT:BASELINE Group:High-Dose | TIMEPOINT:+71HR POST INFUSION Group:High-Dose | TIMEPOINT:+23HR POST INFUSION Group:High-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:-0.5HR Group:Placebo | TIMEPOINT:+4HR POST INFUSION Group:Placebo | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Low-Dose | TIMEPOINT:BASELINE Group:Placebo | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:+4HR POST INFUSION Group:Placebo | TIMEPOINT:-0.5HR Group:Placebo | TIMEPOINT:BASELINE Group:High-Dose | TIMEPOINT:+47HR POST INFUSION Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:+23HR POST INFUSION Group:High-Dose | TIMEPOINT:+71HR POST INFUSION Group:High-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:BASELINE Group:Placebo | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:+23HR POST INFUSION Group:Placebo | TIMEPOINT:+4HR POST INFUSION Group:Placebo | TIMEPOINT:BASELINE Group:Placebo | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Placebo | TIMEPOINT:BASELINE Group:Placebo | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:+4HR POST INFUSION Group:Placebo | TIMEPOINT:+23HR POST INFUSION Group:Placebo | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:+47HR POST INFUSION Group:High-Dose | TIMEPOINT:+23HR POST INFUSION Group:High-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:+71HR POST INFUSION Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:BASELINE Group:Placebo | TIMEPOINT:+23HR POST INFUSION Group:Placebo | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:+4HR POST INFUSION Group:Placebo | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Low-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:+71HR POST INFUSION Group:High-Dose | TIMEPOINT:+23HR POST INFUSION Group:High-Dose | TIMEPOINT:BASELINE Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Low-Dose | TIMEPOINT:BASELINE Group:Placebo | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:BASELINE Group:Placebo | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:+23HR POST INFUSION Group:Placebo | TIMEPOINT:+4HR POST INFUSION Group:Placebo | TIMEPOINT:-0.5HR Group:Placebo | TIMEPOINT:+71HR POST INFUSION Group:Placebo | TIMEPOINT:+4HR POST INFUSION Group:Placebo | TIMEPOINT:+23HR POST INFUSION Group:Placebo | TIMEPOINT:-0.5HR Group:Placebo | TIMEPOINT:+47HR POST INFUSION Group:Placebo | TIMEPOINT:BASELINE Group:High-Dose | TIMEPOINT:+47HR POST INFUSION Group:High-Dose | TIMEPOINT:+71HR POST INFUSION Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:High-Dose | TIMEPOINT:+71HR POST INFUSION Group:High-Dose | TIMEPOINT:+4HR POST INFUSION Group:High-Dose | TIMEPOINT:+47HR POST INFUSION Group:High-Dose | TIMEPOINT:BASELINE Group:High-Dose | TIMEPOINT:+23HR POST INFUSION Group:Low-Dose | TIMEPOINT:BASELINE Group:Low-Dose | TIMEPOINT:+71HR POST INFUSION Group:Low-Dose | TIMEPOINT:+4HR POST INFUSION Group:Low-Dose | TIMEPOINT:-0.5HR Group:Low-Dose | TIMEPOINT:+47HR POST INFUSION Group:Low-Dose | TIMEPOINT:+23HR POST INFUSION (N(1) + N(8))-acetylspermidine 1.0979 0.7645 1.1866 0.9441 0.8366 0.8987 0.8963 0.9432 1.1606 1.0613 0.9711 0.9007 0.9003 0.8798 0.7767 0.7417 0.8021 1.6022 1.6469 1.7103 1.6408 1.9282 1.4959 0.7514 0.9084 0.6450 0.6595 0.8701 0.8434 1.0997 0.9318 0.9996 0.9778 0.9305 1.2139 0.9117 0.9404 0.8715 1.0000 0.9600 1.1733 1.3607 0.8986 1.0244 0.8548 0.9354 0.9142 0.7416 0.7206 0.6062 0.7751 0.6355 0.5948 1.1077 1.1688 0.9269 1.2935 0.8671 0.7356 0.6859 0.7825 0.6839 1.0031 0.9062 0.9801 0.4036 1.1014 0.9405 1.3283 1.4488 2.0099 1.7049 1.6045 2.2961 1.9748 1.3713 1.0727 1.3380 1.0051 1.3859 1.2246 0.9145 1.2069 1.3572 1.2589 1.0711 0.8730 0.9190 1.2140 1.1973 1.3325 1.2109 1.0445 0.8943 1.0131 1.0757 1.0004 0.7467 0.9851 0.8435 0.5789 0.8336 0.7744 1.7315 1.7375 1.4847 1.9173 1.3474 1.5223 0.6587 0.6178 0.8694 0.8610 0.6306 0.9011 0.6771 0.9124 0.6126 0.8488 1.0388 1.1819 0.9857 1.1321 0.9378 1.2498 0.5705 0.8250 0.6820 0.6024 0.9432 0.9305 0.7236 1.0620 0.9317 1.0010 0.7234 1.0243 0.7298 0.9225 0.8316 0.8319 1.1111 1.0744 0.9517 0.8552 1.0336 1.1202 1.1397 1.1300 0.9773 1.2543 1.1508 1.2245 1.5519 1.3377 1.7109 1.7427 1.3286 1.4015 0.9969 0.8755 1.0136 1.0482 1.1411 1.2319 1.3253 1.1666 1.1017 0.8206 1.0476 1.1658 1.0546 1.4426 1.3900 1.2364 1.2143 1.2592 0.9356 1.1956 0.9271 0.9009 1.0544 1.3522 0.8817 1.0487 1.2296 0.9772 (R)-3-hydroxybutyrylcarnitine 0.5167 0.9737 0.4601 3.3141 2.5616 0.3446 0.1712 0.3621 0.1712 0.4388 0.4874 0.6487 0.1712 0.1712 0.1712 0.1712 0.1712 1.7131 0.1712 3.8512 0.1712 2.8509 0.4484 1.3556 0.6614 0.6153 0.1712 3.2290 0.6255 0.1712 0.1712 0.1712 1.6828 0.9077 0.7774 2.7828 0.5074 0.9198 1.0000 0.5319 0.1712 0.1712 0.1712 0.1712 0.1712 0.1712 0.7847 0.1712 0.1712 5.3263 4.9219 0.3845 2.5188 1.0033 6.9934 9.9244 0.1712 0.1712 0.1712 0.6493 0.3560 0.1712 0.1712 0.1712 0.1712 0.1712 0.1712 2.2559 1.4947 1.5428 3.9826 3.3173 1.3479 2.3723 0.1712 0.5384 0.1712 1.1263 0.3923 0.1712 3.4035 0.1712 0.6255 1.5012 0.1712 0.7991 0.9259 0.7263 0.3944 1.6846 0.9592 1.0921 0.6795 1.3524 1.0273 0.1712 0.6145 0.1712 0.1712 0.7721 1.7674 0.1712 0.4499 1.7973 1.0246 0.1712 2.4315 0.1712 0.2481 0.1712 0.1712 0.1712 0.6708 1.4058 1.1665 0.5872 1.8991 1.9029 1.5169 1.6233 0.8101 1.1305 1.9641 1.2825 4.4311 0.7877 0.1712 0.9967 4.8610 0.4736 0.8380 1.2190 0.1712 0.6051 0.7317 0.1712 0.1712 0.1712 0.8307 0.5672 0.1712 1.4386 1.1613 0.1712 0.1712 0.7630 1.2413 0.5384 1.0404 0.4470 0.8995 1.3595 0.8843 0.3809 0.1712 0.4977 0.1712 1.8935 0.1712 0.6611 1.8938 0.1712 0.1712 0.1712 0.5880 3.7800 3.2238 0.1712 0.1712 0.1712 1.0059 0.1712 0.1712 2.2833 0.7413 0.3319 0.7626 0.1712 0.7320 0.4619 2.0164 0.1712 6.1825 0.1712 0.1712 2.0415 1.6930 (S)-3-hydroxybutyrylcarnitine 1.2940 1.1193 0.6648 1.2968 1.4334 0.7665 0.8292 0.9833 0.3477 0.8151 0.6026 1.2777 0.9948 0.8227 1.2462 1.2889 0.9981 1.1074 0.2259 1.5873 0.5626 1.2607 0.7437 0.9159 0.9582 0.9868 0.4731 1.2868 0.9969 1.1492 1.0407 1.0303 1.0556 1.0014 0.9314 4.1919 1.8556 2.3308 2.8366 1.8140 1.4256 0.6373 0.5828 0.4570 0.8096 0.6550 1.0855 1.8764 0.7600 4.4888 2.3417 1.4721 1.4471 1.6206 1.9413 3.2549 1.0477 0.5297 0.6112 1.1608 0.9352 0.8962 0.9639 0.8291 1.0651 1.4929 1.2690 1.9037 1.1412 1.4688 2.0450 1.5171 1.5234 2.1406 1.1690 0.7701 0.7019 1.3626 0.8702 0.3516 2.5976 0.5294 0.8874 1.3472 1.7719 1.8119 1.4046 1.1538 0.8101 1.9932 0.9509 1.2780 0.7582 0.9683 0.6545 0.9986 0.9100 1.0745 0.9419 0.8753 1.4279 0.9835 1.1543 2.6338 2.5788 1.6260 3.6094 0.9983 1.5690 0.6967 0.5399 0.2977 0.5107 0.8280 0.7799 1.0017 1.4333 1.1488 1.2954 1.6975 1.3388 1.4026 2.2983 1.3531 1.8217 1.5119 0.5609 1.5108 1.9029 0.7936 1.2349 1.1021 0.4622 0.8371 0.9658 0.4329 0.2683 0.5278 0.7969 0.6465 0.6011 0.7765 0.5634 0.2259 0.5802 0.9142 0.8283 0.7795 1.0528 1.2151 2.0658 1.2157 1.2695 0.7279 0.7166 0.9296 0.8210 1.4040 0.9523 0.8373 1.1329 0.8667 0.9211 0.6919 1.0579 1.2365 1.8398 0.5297 0.7579 0.7463 0.8947 0.3828 0.9262 1.5286 0.8705 0.9800 1.3062 0.6402 0.8958 1.3343 1.7809 0.6980 2.7903 0.6653 0.8157 1.4716 1.3909 1-methyl-4-imidazoleacetate 0.7228 0.6026 0.7502 0.7150 0.6848 1.0398 0.7581 0.9218 0.8949 0.8463 1.0981 1.2779 0.9487 1.1462 1.3005 1.5607 1.3876 0.6978 0.6710 1.0720 0.7007 0.7084 0.6200 0.7750 0.9888 0.8819 0.9198 0.8438 0.9750 1.4038 1.1507 1.1686 1.1229 1.1710 1.0249 1.0389 1.3559 1.1030 1.1333 1.3350 0.9503 1.6859 1.8290 1.2409 1.4430 1.5528 1.4462 1.5283 1.2795 1.1362 0.9894 1.1739 1.0216 1.5549 1.3705 1.4464 1.2742 1.3249 0.9598 1.2404 1.1283 0.9619 1.1762 1.0506 0.8880 0.9451 1.0358 1.1038 0.9439 0.7840 0.6992 0.9681 0.7560 0.7693 0.8157 0.8280 0.9182 0.7672 0.7903 0.8895 0.8331 1.0888 1.1818 1.0352 1.0593 1.3467 1.1938 0.9518 1.2352 1.5595 1.5904 1.6561 0.9123 0.8413 0.9732 0.8648 0.9114 1.1110 1.0512 1.0480 1.1280 1.2472 1.0959 1.1166 1.0383 1.1460 1.3850 1.3060 1.0412 1.6713 1.8254 1.5384 1.1317 1.2204 1.0379 0.9285 0.9988 0.9614 0.6452 0.9452 0.9718 0.9929 1.0459 0.9252 0.4835 0.7045 0.4947 0.7113 0.5099 0.7941 0.8807 0.7928 0.7666 0.7977 0.8837 0.5512 0.5736 0.6666 0.6090 0.5354 0.5058 0.8979 0.7504 0.6793 0.9587 0.8470 0.9098 0.9866 1.0527 1.2004 1.1392 1.1484 1.2832 0.5099 1.3731 1.1756 1.1473 1.1002 1.1459 1.0531 0.9786 0.9254 0.8704 1.0071 1.0363 1.1034 0.8468 1.0365 1.1559 1.3126 1.1766 1.0012 1.7256 1.0095 1.6590 1.2679 0.8375 0.7757 0.7803 0.9043 0.2372 0.8183 0.2372 0.7564 0.6402 0.5524 0.6738 1-methyl-5-imidazoleacetate 0.4569 0.6857 0.4737 0.7424 0.7768 1.3098 0.5380 1.1592 0.5045 0.5204 1.6124 1.2054 1.1413 1.2484 1.3003 1.2485 1.4454 1.0947 0.4185 1.1275 0.7593 0.6972 0.3983 0.9197 0.6494 1.0190 0.4092 0.5370 0.4691 1.6002 1.4153 1.4163 1.8834 1.6476 1.2953 0.6196 1.3065 0.7482 0.7732 0.6662 0.5814 1.5856 1.7896 0.9713 1.1785 1.2444 1.0594 1.2375 0.7985 1.3144 0.7444 0.6834 0.5213 2.0447 2.4989 1.9203 1.0001 0.9535 1.1212 1.8044 1.2502 1.1285 1.4928 2.0196 0.2045 0.2497 0.4806 0.4551 0.4792 0.2252 0.2308 0.6723 0.2879 0.5479 0.1160 0.6452 0.3042 0.5127 0.6570 1.0525 0.7520 0.6062 1.0287 1.1370 0.5077 1.0970 2.1569 1.3777 2.0673 2.0174 2.9421 2.3509 1.9917 0.4662 1.2729 0.9272 0.6596 1.4619 0.8989 0.5917 0.8810 0.5803 0.9999 1.4085 1.3426 1.0460 2.0026 1.1920 1.2283 1.3351 1.7861 1.5424 2.2798 1.4988 1.3973 0.3471 0.8845 0.5087 0.6740 0.8455 0.7001 0.6420 0.4853 0.6762 0.5231 0.7716 0.5834 0.2275 0.9154 1.0792 1.3413 1.4465 0.7785 0.8014 1.7103 0.8480 0.3635 0.7781 0.5564 0.4787 0.4730 1.3712 1.2121 1.0956 0.8662 0.9285 1.0570 1.2243 0.8030 0.8283 0.8028 1.1655 1.2948 0.7479 0.8419 1.0962 1.4014 0.3901 1.2174 0.9826 0.7778 1.0589 0.9153 0.7920 1.5333 1.4725 1.3922 1.8072 1.7899 2.2254 1.3218 1.2411 2.7306 1.2217 2.7785 1.3461 1.0433 0.5910 0.7827 1.0634 1.4100 0.0769 0.0769 0.0769 0.0769 0.0769 0.0769 1-methylhistidine 1.0190 0.1922 0.7865 0.6112 0.8540 0.8253 1.0459 0.9861 0.7456 0.5707 0.8809 1.7481 1.5260 0.1922 1.6476 1.6553 1.8468 0.7706 0.8983 0.7325 1.0442 0.9228 1.6226 0.9027 0.8373 0.7847 0.6715 0.7043 0.7968 0.5969 1.0259 1.0773 0.8206 1.1102 1.0415 1.0133 0.8915 1.2013 1.0248 1.3228 0.1922 1.7617 1.0726 1.1994 1.1301 1.6431 1.3386 0.7885 0.2707 0.6277 0.3256 1.1406 0.5511 1.0155 0.8066 0.8607 1.3372 0.8843 0.8812 1.1479 1.4694 1.2808 1.3343 0.8924 0.7928 0.8650 1.0000 1.0630 0.8844 0.2970 0.1922 0.7209 0.7877 0.6956 0.1922 1.3694 1.2027 1.4041 1.4695 0.1922 0.8147 0.8404 0.8831 0.8955 1.4573 1.4255 1.3445 1.3101 0.5941 1.7091 0.1922 1.3816 1.1532 0.7848 0.1922 1.2330 0.9897 1.5263 1.7786 0.6828 1.4588 1.6092 0.5213 1.0810 0.1922 1.4043 1.1021 1.2042 1.7320 1.8291 1.9159 1.5452 0.1922 1.0548 1.2971 1.0283 0.7623 0.8741 0.1922 1.0922 0.9467 0.8719 0.7982 0.8871 0.1922 0.7400 0.6298 0.9079 0.7115 0.8831 1.4119 0.8738 1.1502 1.0549 0.9362 0.6529 0.5472 0.8895 0.6790 0.6435 0.9404 0.1922 0.8538 0.1922 0.9347 1.2030 0.9326 1.1950 1.2152 1.4862 1.6569 1.3914 1.4842 1.0313 1.1097 1.1323 1.4873 1.2741 1.0996 1.9717 1.9080 2.0021 1.5122 2.2152 2.1977 0.8505 0.7824 0.7923 0.9928 1.6183 0.6797 0.1922 1.8094 1.0589 0.9867 1.3049 0.5751 0.6744 0.6486 1.2256 0.6572 0.7657 0.8377 0.7118 0.8301 0.5695 0.6115 1-methylnicotinamide 1.3879 0.9779 1.0797 0.9692 0.8821 1.1077 1.6088 1.4871 1.4300 1.2572 1.1747 0.4821 0.6214 0.5713 0.5762 0.6554 0.6343 0.4728 0.6131 0.4816 0.3901 0.3121 0.5167 1.1168 0.6032 0.9734 0.8093 1.0147 1.2211 0.6735 0.8703 1.2877 1.3310 0.8417 1.5138 0.7371 0.6988 0.8394 0.6541 0.9090 1.1026 1.4492 1.8273 1.6780 1.3686 1.0052 0.6764 1.1299 1.2719 0.8223 0.6313 1.0906 0.4236 0.8787 0.9413 0.9945 0.9684 0.8612 0.3819 1.1189 1.3516 1.0093 2.0881 1.0055 0.5502 0.6253 0.6732 0.5500 0.8422 0.7175 1.0901 1.2994 1.1661 1.0270 3.9041 1.2806 0.9823 0.8759 0.8482 1.4868 0.7978 0.7653 0.8383 0.9591 1.2379 0.8949 0.8059 1.2328 4.7751 1.5897 3.1130 2.1549 1.8707 1.4268 1.7819 1.5783 1.5774 1.1579 0.8798 0.9481 0.8384 0.8979 0.9752 0.4154 0.8391 1.1878 0.5568 1.2052 0.8694 1.2065 0.9439 0.7725 0.6948 0.2862 0.6160 0.9627 1.0000 0.7925 1.0930 0.3464 0.4337 0.3862 0.5827 0.4207 1.3323 1.0227 1.4004 1.2550 1.0356 0.8641 0.4831 0.5119 0.5025 0.5573 0.6867 0.5421 0.9449 0.5519 0.8386 0.8705 0.6565 0.4840 0.9105 1.1439 0.6937 1.1388 1.0058 1.7265 1.4927 1.3645 1.5933 1.6193 1.8293 1.1810 1.1010 1.7645 1.6057 1.0703 1.4799 1.1691 1.5261 1.6438 1.6057 1.5863 1.5018 0.8351 0.6795 1.1296 1.4932 1.1115 1.1094 1.1784 2.2452 1.2013 1.1959 1.9320 0.9782 0.9417 0.6749 1.0940 0.8934 1.2094 1.2809 1.0763 1.3695 1.1253 1.0647 1-ribosyl-imidazoleacetate* 0.6552 0.6844 0.5943 0.5402 0.6197 0.8307 0.8170 0.9649 0.8484 0.8126 1.2010 1.5618 1.8221 1.6009 1.7318 2.3767 1.6819 0.5026 0.5050 0.6970 0.6167 0.5152 0.4623 0.7545 0.6948 0.8923 0.5567 0.6670 0.6977 1.7441 1.5895 1.5415 1.2796 1.5441 1.1393 0.9197 1.0728 1.0731 0.9215 1.0482 0.9485 1.6569 1.6750 1.5382 1.5613 1.8022 1.5780 1.1366 0.8040 0.9264 0.7420 0.9616 0.7749 1.7540 1.1562 1.4592 1.5265 1.2060 1.0020 1.2417 1.2757 0.8687 1.1457 1.1008 0.8580 0.7137 0.7178 0.7315 0.6292 0.7755 0.7707 1.0968 0.9515 1.1167 0.9906 0.6428 0.8864 0.6402 0.7462 0.7750 0.8528 0.9108 1.1773 0.8574 0.9532 1.1877 1.4734 1.2972 1.6240 1.5499 1.6519 1.7526 0.9428 0.7650 0.8301 0.8978 0.8618 1.2132 1.1326 1.0957 1.0992 1.5264 1.2344 1.2851 1.5727 1.3876 1.7122 1.6304 1.4853 1.9007 2.7536 1.7387 1.9337 1.5681 1.4817 0.7826 0.7332 0.7707 0.6662 0.9229 1.2841 1.0704 1.0220 0.9980 0.4730 0.7092 0.6481 0.7046 0.6554 0.9691 0.8606 0.8306 0.7334 0.7748 1.0451 0.7951 0.6445 0.8664 0.7051 0.6848 0.8321 1.0000 1.1963 1.0242 1.1142 1.2404 0.9109 1.2609 1.0344 1.3046 1.4484 1.1114 1.7105 1.1027 1.3160 1.1627 1.2682 0.9595 1.2380 0.9049 0.7726 1.1098 0.9638 0.9763 1.0731 0.8582 0.9753 1.1727 1.3605 1.4875 1.0711 0.9246 1.4040 1.0211 1.1356 1.3182 0.7630 0.7457 0.6771 0.7335 0.7141 1.1184 1.0346 0.9870 1.1414 0.8463 0.9216 2-aminobutyrate 1.8482 1.7175 1.0771 0.8439 0.5227 0.5435 1.5091 1.2699 0.8567 0.5410 0.7466 1.7433 1.6359 1.6481 1.4110 1.9220 1.6229 0.3724 0.5457 0.5615 0.9070 0.4334 1.0814 1.1010 1.0854 0.4270 0.6636 0.9038 1.2497 1.0194 0.7706 1.1538 0.5202 0.6117 0.5003 1.5269 1.1604 1.2692 1.2456 1.0460 1.0829 1.6811 1.3463 1.7967 1.5581 1.6964 1.7701 1.3476 0.6537 0.4347 0.5376 1.3305 0.5297 1.2194 0.6046 0.5757 1.2756 0.5294 0.7787 0.8106 1.3156 0.8503 1.1178 0.6832 1.1312 1.2804 1.3125 1.2660 1.6761 1.3429 0.7996 0.6630 1.3613 1.0862 1.0207 1.2010 1.1319 1.1950 1.2495 1.2418 0.8237 0.7963 0.5281 0.7733 1.4282 1.2152 1.1749 0.9590 0.9893 1.1942 0.8756 1.0779 1.2218 1.0399 0.8532 1.3780 1.1855 1.3015 1.4850 1.4375 1.5196 1.5085 1.3650 0.5422 0.7301 1.0729 0.5846 0.7998 0.8683 1.1459 1.0483 0.7057 0.3663 0.3949 0.6149 2.0731 0.8961 0.9754 0.8910 0.7999 0.7840 0.9021 0.7504 0.6870 0.6868 1.0213 0.8661 1.1597 0.8375 0.7428 1.3580 0.7223 1.0835 1.4615 0.8927 0.7045 1.0000 1.1337 0.9437 0.7472 1.2922 0.6382 0.8167 1.0256 0.7690 1.3053 0.6117 0.6550 0.7550 1.1733 1.4816 0.8186 1.4430 0.9570 0.9705 1.0107 0.9880 1.2111 1.0373 1.2425 1.2254 1.4112 1.2219 1.2370 1.4166 0.5503 0.4855 0.4976 0.9426 0.9559 0.5210 0.6346 1.2381 0.8538 0.4936 1.4869 0.4238 0.5473 0.3704 1.0541 0.4400 0.8949 1.5511 0.7381 0.9908 0.8572 0.6074 2-aminoheptanoate 0.9352 1.0535 0.8229 0.1990 0.1990 0.6182 0.8645 0.9603 0.4520 0.1990 0.2521 1.3166 1.0735 1.8304 1.2444 1.8033 1.2366 0.1990 0.5506 0.4786 0.7694 0.1990 0.6343 1.0084 0.1990 0.3756 0.7562 0.1990 0.6552 1.3906 1.1385 1.3409 0.1990 0.4478 0.1990 1.1207 1.8021 1.2947 1.1698 1.2453 0.9930 1.7863 1.5676 1.5185 1.2354 1.2377 1.4074 1.5982 0.8411 0.1990 0.1990 0.9707 0.1990 1.1036 0.1990 0.1990 0.7420 0.7974 0.4659 0.1990 0.8810 0.1990 1.2560 0.1990 1.0267 1.0207 1.4842 1.0073 1.4634 1.3019 0.5121 1.0070 1.2806 0.8475 1.6653 1.0239 0.1990 0.4834 0.4976 0.9206 0.1990 0.8564 0.1990 0.1990 0.8593 1.4399 1.0798 0.9898 1.8377 0.8644 1.4520 1.0892 0.8396 0.1990 0.7772 0.1990 0.7641 1.3424 1.1299 1.0000 1.3253 0.9271 1.1500 0.1990 0.4880 1.0286 0.1990 0.6645 1.0119 0.9482 0.9906 0.5913 0.1990 0.1990 0.1990 1.3266 0.1990 0.1990 0.1990 1.7947 2.0421 1.2016 1.3701 1.3659 0.1990 0.8475 0.1990 1.1250 0.4969 0.1990 1.0031 0.9364 0.8142 0.7876 0.8398 0.7105 0.7151 1.4288 0.3152 0.4707 0.7512 0.1990 0.5180 1.6061 0.1990 1.4661 0.1990 0.8408 0.2328 1.1131 1.2691 0.7209 1.6063 1.1905 1.6895 1.0663 0.6953 0.9599 0.8227 0.8992 0.9710 1.1245 0.8102 0.6705 1.2737 0.3308 0.1990 0.5203 1.1656 1.0037 0.1990 0.8378 1.1521 0.5426 0.1990 0.9691 0.1990 0.8632 0.1990 1.4930 0.1990 1.0421 0.1990 0.1990 0.8747 0.1990 0.1990 2-methylbutyrylcarnitine (C5) 1.0806 1.0259 0.6732 0.8447 0.8945 0.9218 0.9473 1.2231 0.4636 0.7049 0.9957 1.0512 1.3681 1.2520 1.1890 1.3418 1.6416 0.7947 0.7003 0.9065 0.8817 0.7371 0.9345 0.7976 0.6118 0.6582 0.5771 0.9949 0.6737 1.8542 1.1390 1.8423 1.1632 1.5445 1.1900 1.1478 1.2681 1.0619 1.3411 1.2808 1.0168 1.4750 1.2711 1.3241 1.3757 1.4795 1.1751 0.7399 0.4026 0.5723 0.4783 0.5824 0.3751 1.5083 1.1440 1.4731 1.5701 1.0049 1.2016 1.6686 1.6232 1.7917 1.8598 1.3265 1.0468 1.0416 0.7722 0.9729 1.1180 0.6352 0.9892 0.7331 0.7241 0.9604 0.9091 0.7395 0.7719 0.5267 0.6294 0.7616 0.9298 0.6091 1.3115 0.6943 0.9407 0.9605 1.4835 1.5817 1.7285 1.5898 1.7827 1.9389 1.0213 0.8522 0.9977 0.9958 0.8877 0.8521 0.8806 0.8090 0.5268 1.2907 0.8716 1.1271 1.0711 1.1541 1.0809 0.7069 1.1812 1.1716 1.1197 0.9284 1.0809 0.9307 0.9614 1.2574 1.2178 1.1886 1.4305 0.8683 0.8442 0.7887 0.6954 0.8323 0.7722 1.1187 0.6753 0.9218 1.0584 0.7579 1.1685 0.7933 0.3751 0.9476 1.0000 0.9113 0.8404 1.1823 1.3034 1.1195 1.1036 1.2063 1.0234 1.1842 0.9194 1.4232 1.3652 1.1555 1.0705 0.7793 1.1556 1.3684 1.2192 1.1377 1.4382 1.3287 1.4867 1.1917 1.6296 0.8317 0.8983 1.2850 0.8378 0.8488 1.4686 0.9462 0.7968 0.7622 1.0952 1.3771 0.9729 0.6589 1.3838 1.0043 0.8814 1.5533 0.6701 0.5013 0.3751 0.9850 0.8910 0.6208 0.8657 0.5921 0.6549 0.4714 0.5493 2-methylbutyrylglycine (C5) 1.7366 0.1749 1.2372 0.1749 1.4858 0.8687 1.7660 0.1749 0.7841 2.9105 0.1749 1.4588 2.0628 0.1749 0.1749 0.8156 2.1165 0.5359 0.7461 0.5309 0.2588 1.9247 0.9130 0.1749 0.5688 0.1749 0.1749 0.6000 0.9967 0.1749 0.1749 0.1749 0.1749 0.1749 0.9512 0.8145 0.1749 1.1727 0.1749 0.1749 1.9972 0.9099 0.1749 1.3863 0.1749 0.1749 0.1749 0.1749 0.1749 0.1749 1.5520 0.1749 0.2592 0.6103 0.1749 0.2999 0.1749 0.1749 0.1749 0.1749 1.0033 0.1749 0.1749 0.1749 0.1749 1.2384 1.6729 0.7293 0.1749 0.1749 0.1749 0.1749 1.0083 0.1749 0.1749 0.3187 0.5094 0.9934 1.2241 0.1749 0.9975 1.5334 0.4737 0.1749 1.2351 0.1749 0.1749 1.4389 0.1749 1.1574 0.1749 1.5403 0.1749 1.0215 0.3885 1.3895 0.6889 0.1749 0.1749 1.7766 2.1459 0.1749 2.4878 1.2947 0.3864 1.2332 0.1749 0.8937 0.2238 2.6714 0.1749 1.9762 0.9244 0.3282 3.6648 1.3137 0.1749 0.4416 1.3759 0.7660 0.1749 0.5270 0.7810 1.2086 0.1749 0.1749 0.8067 0.1749 0.3918 1.7337 0.3085 0.2062 0.1749 1.0587 0.1749 0.1749 0.9729 0.3288 0.3691 0.1749 0.1749 0.3889 0.3459 0.1749 1.3151 1.8854 0.1749 0.1749 1.6752 1.0000 1.4983 0.1749 0.4805 0.1749 0.5294 1.3103 0.1749 1.2413 1.2876 1.0846 1.7684 0.9275 2.4819 2.1527 0.8612 0.1749 0.1749 1.0150 1.6685 0.1749 0.3075 0.1749 0.1749 1.2626 0.1749 0.9239 0.1749 0.8377 0.1749 0.1749 0.1749 0.5940 0.1749 0.9840 0.1749 1.4702 0.1749 2-methylserine 1.6256 0.0543 0.0543 0.4058 0.1044 0.0543 0.7695 1.8574 0.9001 0.0543 0.5413 0.8709 1.2087 0.0543 0.0543 0.0543 0.0543 0.6623 0.0656 0.6414 0.3410 0.2563 0.0568 0.6275 1.2401 0.0543 1.0000 1.1342 0.8130 0.0543 0.7811 0.9708 0.4642 0.8013 0.8482 0.0543 0.0543 0.0543 1.7541 0.1576 2.3528 0.0543 0.0543 0.0543 0.0543 0.0543 0.0543 0.0543 0.4101 0.2054 0.5687 2.0431 0.5474 0.5692 0.0543 0.5574 0.5863 0.0543 0.7375 0.4929 1.2475 0.8858 0.1633 0.6973 0.6006 2.8736 2.0589 0.6578 0.0543 1.4630 0.0543 0.3400 0.0543 0.0543 0.0543 2.2157 2.1727 0.0543 0.0543 0.0543 0.5256 0.7671 0.3337 0.4729 1.8180 0.0543 1.2408 0.3878 1.4553 0.0543 1.4229 1.0243 3.0036 0.5000 1.0195 0.0543 0.0543 2.2450 1.8464 1.7602 0.0543 2.0358 0.0543 0.8958 1.3308 2.7965 1.1849 2.2161 2.6969 0.0543 0.0543 0.2726 0.0543 0.4692 0.7954 0.0543 0.6567 0.8224 1.1998 0.2525 2.0615 1.1448 0.1355 2.6303 0.7097 0.0543 1.3490 0.0543 0.8517 0.7835 2.4733 1.2329 1.9938 1.9926 2.3196 1.0560 0.5883 0.9963 1.5308 0.3741 0.0543 1.4639 0.8571 0.0543 1.5413 1.4521 1.5235 1.0037 1.0697 1.9973 2.2791 1.1878 0.2397 1.4880 1.6748 0.4914 2.0590 0.0543 1.4911 1.1771 0.1256 1.5695 0.6031 1.1865 2.1300 0.6735 1.0968 0.7521 1.9433 2.3682 0.7118 1.1285 0.0543 1.0895 0.7607 1.6855 0.8671 0.7809 0.0543 0.0543 0.3449 2.3454 1.1584 0.0543 1.5300 0.4909 1.0448 2'-O-methylcytidine 1.4451 1.2445 1.2362 1.4057 1.0156 1.3617 0.8322 1.0371 0.9023 0.6610 0.8321 1.3554 1.0026 0.4491 1.3567 1.2254 1.2010 0.9243 0.6128 1.1238 1.0916 1.3447 1.0665 0.8976 1.0029 0.7025 0.9509 0.9964 1.0166 0.8185 0.7918 0.9868 0.7109 0.4491 0.7916 1.0630 1.3847 1.6238 1.7075 1.4897 1.9783 1.4823 1.1669 1.1768 0.9905 1.4715 1.1306 1.1630 0.8910 0.5586 0.4491 1.2294 0.9185 1.0106 1.0287 0.7696 1.2569 0.8882 0.4972 0.8594 0.9207 0.7620 0.7779 0.7573 1.0385 0.8790 1.1963 1.1614 0.7292 1.1990 1.0805 0.5890 0.8765 1.2183 1.2565 1.6519 1.0524 1.1222 1.2015 1.7097 0.9839 0.9959 1.1457 1.2069 0.9357 1.1458 1.1086 1.1702 0.7720 1.1386 0.9441 1.1082 0.9971 0.9820 0.9254 1.1520 0.8584 1.4038 1.0315 1.2798 1.3412 1.3287 1.0418 1.6424 1.4323 1.7575 1.6077 1.0563 1.8971 1.0000 1.3017 0.9678 0.6960 0.9973 0.9831 0.7206 0.4491 0.6212 0.8122 0.9255 1.2171 1.0143 1.2437 1.0500 0.4491 0.7260 0.8914 0.7622 0.5526 1.1368 0.8793 0.6837 0.6817 1.1024 0.8785 0.7674 0.8960 0.6571 0.8313 0.6377 0.9570 0.6074 0.9217 0.9387 0.8110 1.0905 0.9135 0.8120 0.8496 0.7987 0.9689 0.8683 0.8256 1.0811 1.2060 1.2011 0.9266 1.2356 0.8270 1.2702 1.2165 1.1610 1.2361 1.2253 1.2331 0.7387 0.5167 0.6441 1.1301 1.0428 0.6443 0.5976 0.8399 0.7591 0.9696 1.1622 0.9732 0.8055 1.0793 0.9048 0.9770 1.3068 1.5927 0.8015 0.9819 1.1244 0.7994 2-oxoarginine* 0.9524 0.6381 1.5481 0.4623 1.1780 2.0216 1.5844 1.3705 1.7605 0.8819 2.2608 0.8391 1.5768 1.6089 1.2459 1.6341 1.5503 0.5232 1.3992 1.3018 1.2191 0.8284 1.0805 0.6410 0.2847 0.8322 0.5325 0.3876 0.7148 1.8620 1.7216 1.7950 0.5494 1.4070 0.9086 0.8959 1.8897 1.3133 1.4937 2.1772 1.4753 1.2004 1.2127 1.2717 1.0197 1.3735 0.5743 1.1752 1.4737 1.3757 0.5039 0.8910 0.4123 1.3852 0.5165 1.2861 1.1179 2.1551 1.5345 1.7097 1.5090 1.2934 1.5102 0.9079 0.7552 0.6499 0.5193 0.4365 0.4379 0.2583 0.2247 0.5097 0.2863 0.3783 0.4440 0.4824 0.8267 0.3946 0.4813 0.5720 0.7214 2.0040 1.7018 0.6155 0.9301 0.7121 1.7945 1.9533 2.2902 1.2513 1.8274 2.1116 1.0753 0.7225 0.8481 1.3540 0.8309 0.7653 0.6538 0.6800 0.4623 1.0001 0.6897 1.7553 1.9183 1.6945 1.2255 2.4683 1.7504 0.8972 1.2289 1.5425 1.2747 0.5243 0.6630 0.5210 0.4127 0.6908 0.3836 0.1677 0.4308 0.3602 0.1541 0.2502 0.2249 0.5572 0.9999 0.7893 0.4638 1.3884 1.1201 1.7675 1.6158 1.3310 0.8924 0.6680 0.8859 0.8327 0.5679 0.4442 0.8508 1.1622 2.1247 1.8927 1.9776 2.1587 1.4767 1.8796 1.0000 1.3182 1.4714 0.9059 1.1635 1.2326 2.2393 1.5644 1.9356 1.0265 1.6813 0.7765 0.5677 1.0091 0.7353 0.8202 1.0292 0.7609 0.5009 1.9838 1.0675 1.4143 0.4398 1.1517 1.6429 0.5832 0.8415 1.0842 0.7546 2.5555 0.8190 0.6933 1.9385 0.8235 0.3863 0.9399 0.7180 0.4599 0.7707 2-piperidinone 0.9881 0.6713 0.7689 0.4032 1.0119 0.7560 0.5991 0.8152 0.5841 0.4008 0.4675 1.9880 3.0321 5.2591 3.3599 1.5408 1.6944 1.6482 5.3162 4.2396 3.7211 2.8029 5.7989 2.2962 2.7236 6.2205 5.3064 1.7017 4.0096 0.5533 0.3792 0.5424 1.3318 0.6345 0.3076 1.7378 8.1372 3.2921 6.6924 1.8481 3.2354 3.1470 1.6639 1.2199 1.1486 0.4995 1.1167 1.2560 0.4873 0.3593 0.4585 0.2882 0.9536 0.5026 0.4131 0.4881 0.5425 0.5416 1.2195 0.7501 1.4851 0.8631 0.9369 0.8680 1.0875 0.9560 0.4607 0.5860 0.4769 1.2677 0.5122 0.5670 1.2919 1.4640 3.7923 3.3970 1.3269 1.8897 1.4229 1.5127 0.3769 0.7796 1.0473 1.8310 1.7842 1.1889 1.4525 1.3372 0.6026 0.5637 2.2780 0.6068 1.0440 0.3410 0.4219 0.9140 0.5815 0.4344 1.2081 1.9884 1.5988 0.5704 2.6152 1.0888 0.6788 2.1689 0.3964 1.1802 1.1616 0.4913 1.2505 0.7759 0.0950 0.5731 0.3619 2.2414 0.7267 0.2372 0.3282 1.1426 2.3603 3.2457 2.4414 2.3010 0.4154 0.5850 0.6182 0.5836 0.4059 0.5728 1.2298 1.2468 0.9325 1.5173 0.5003 0.2461 0.5531 0.8054 0.4192 0.3874 0.7172 0.2560 0.2089 0.0950 0.3507 0.9633 0.1717 7.0384 5.0458 7.4459 8.9573 8.5726 7.9083 3.0918 1.2218 1.2941 0.7861 0.7260 0.7577 7.5953 11.8286 9.1345 10.9956 11.0275 9.8920 0.4000 0.0950 0.5829 0.7077 1.5021 0.6442 3.9586 1.7667 0.3875 0.4929 5.3951 1.0326 0.8140 0.6216 0.8203 0.5660 1.3807 0.3944 0.3821 1.2831 0.0950 0.2529 2-pyrrolidinone 0.7673 0.2226 0.8727 0.6798 0.7747 0.8828 0.8533 0.8814 0.9059 0.7507 1.1946 0.9400 0.9304 0.2226 0.2226 1.0475 0.2226 0.7657 0.7840 0.8780 1.0303 0.7561 1.2950 0.2226 1.7630 0.2226 1.3091 1.0360 0.9142 0.2226 0.9021 0.9376 1.0394 1.4762 0.8366 1.7385 1.3036 1.2586 1.5030 1.0585 0.2226 2.1223 1.0797 1.4273 1.1932 1.2984 1.3055 0.6733 0.8570 1.3323 0.2226 1.3062 0.7365 0.9624 0.5817 0.8320 0.6435 1.0112 0.7438 1.2463 1.1005 0.8228 0.7830 0.7155 1.2703 1.7934 1.0298 0.9888 1.4122 0.7460 0.2226 1.0731 1.0032 1.1913 0.2226 1.1272 1.2110 1.1333 0.8245 0.2226 0.6765 0.9968 1.5575 1.1058 0.5068 1.0249 1.1094 0.8558 0.7849 0.7381 0.2226 0.6577 1.0489 0.7803 0.2226 1.0511 0.9385 0.8369 1.1320 0.2226 1.2435 1.4148 1.2081 1.1170 0.9479 1.3050 0.2226 1.3198 0.8434 1.1431 1.3014 0.7412 0.2226 0.5243 1.2182 1.0147 1.0279 0.6174 0.2226 1.9316 1.4910 1.7029 1.6643 1.5033 0.2226 0.5978 1.3216 1.2414 0.2226 1.2184 1.2694 0.8023 1.1719 0.7547 1.1427 0.7799 0.6136 0.6100 0.6738 0.5168 0.8320 0.2226 0.9436 0.3299 1.2337 1.0072 0.5911 1.1330 0.9051 0.8662 1.1526 0.8805 0.9101 1.0594 0.7630 0.9236 0.7949 1.0984 1.1338 1.0356 0.8980 0.9337 0.9616 1.7283 0.7836 0.7779 0.8056 0.9062 1.2140 0.8851 0.7296 0.6319 1.3644 1.1117 0.2226 1.5013 0.7278 0.9517 0.5591 0.8622 1.1636 1.1985 0.2226 1.2596 1.0887 0.2226 1.2282 3-(cystein-S-yl)acetaminophen* 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.6731 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 1.6604 0.0659 0.5351 0.0659 2.9718 2.4295 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.9688 0.0659 0.0659 0.2482 0.0659 0.0659 0.0659 1.0312 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 1.0000 1.1991 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 0.0659 3-amino-2-piperidone 1.7222 1.9842 1.3274 0.3468 0.2320 0.9709 0.7394 0.6306 0.2886 0.2320 0.2320 0.6360 0.6057 0.6440 0.6528 0.6525 0.8285 0.2320 0.5560 0.2320 0.9090 0.3344 1.0555 0.9037 0.5939 0.2320 0.5975 0.3794 1.0159 1.7785 1.2480 1.3462 0.2320 0.4945 0.4169 1.1380 1.0247 0.9645 0.9803 0.6957 0.9790 1.4758 1.2112 1.4438 1.3294 1.3791 1.2038 1.2248 0.7597 0.2320 0.2320 1.0089 0.2320 1.0429 0.2320 0.2320 0.9086 0.4390 0.5347 0.3290 1.0311 0.2320 1.0922 0.2320 1.0506 1.3008 1.2405 0.9222 0.9422 0.8835 0.2320 0.8980 1.2440 0.2320 1.5340 0.9545 0.8981 0.7311 0.7706 1.0380 0.2320 1.5686 0.2320 0.2320 1.2875 1.5811 0.8570 0.9724 1.2407 1.0187 1.0284 1.0521 0.7567 0.3219 0.2320 0.8393 0.6334 1.4581 1.3108 1.1908 1.0016 1.8691 1.2899 0.2320 0.5074 1.0485 0.2320 1.1502 1.3054 1.2161 1.2971 0.9637 0.2320 0.2320 0.2320 1.0662 0.2320 0.2320 0.2320 1.6454 1.4608 1.2895 1.3128 1.4038 0.2320 1.2245 0.8425 0.8913 0.3247 0.2633 1.1402 0.2320 0.6551 0.7961 0.2320 0.3828 0.8838 1.1688 0.2320 0.2320 0.9911 0.2320 0.4902 1.0898 0.6558 1.0392 0.2320 0.6998 0.5196 1.2692 1.3035 0.3559 1.4081 0.7721 1.0514 0.9984 0.9501 0.8970 0.8582 1.3924 0.9912 0.9980 1.1208 1.1374 1.1873 0.2320 0.2320 0.8791 1.0561 1.0860 0.2320 0.5765 1.4334 0.2320 0.2320 1.1168 0.2320 0.5297 0.2320 1.0981 0.2320 1.2009 0.2320 0.6417 1.0994 0.2320 0.2320 3-aminoisobutyrate 0.3177 0.4631 0.2520 0.3639 0.3684 0.4624 0.5338 0.5166 0.3127 0.7217 0.6929 1.0155 0.6806 0.7802 0.7056 0.7425 0.8226 1.0157 0.8826 1.3905 1.2625 1.3171 1.2243 0.9669 1.3116 1.1481 0.7543 1.4026 1.1889 0.5321 0.4466 0.5706 0.9903 0.7691 0.9153 1.5179 1.0705 1.2038 1.2033 0.8772 0.9551 2.0897 1.7232 1.6313 1.9231 1.7722 2.1989 1.4389 1.1679 1.5983 1.6775 1.4363 1.2507 0.6392 0.8546 0.9486 0.5912 0.4213 1.2998 1.6622 1.7426 1.8296 1.6643 1.6805 0.8480 0.9827 0.9540 1.2407 1.3319 1.7167 1.8934 1.3735 1.6476 1.8285 1.2695 0.8039 0.6570 1.0849 0.8847 0.7681 1.4234 0.3859 1.2911 0.9928 0.9845 1.1866 1.1616 0.8687 0.8410 1.5663 0.8068 1.0256 0.3448 0.7079 0.4467 0.4194 0.4692 0.8276 1.1852 0.9727 1.3603 1.2257 1.0941 1.1508 1.1344 0.8455 1.2308 0.5493 0.5905 1.0275 1.2434 0.7521 1.1436 0.9526 1.3091 0.9869 0.7811 1.0706 0.9521 2.5910 2.0446 2.1867 2.2058 2.2135 1.2404 0.9939 0.7124 1.1658 1.3964 0.9830 1.1472 0.9458 0.4740 0.9103 0.9192 0.7662 0.3445 0.4261 1.0570 0.7904 0.7141 0.5663 0.8025 0.4818 0.4022 0.5571 0.9105 1.1862 1.3707 0.7733 1.0746 1.2780 1.0278 1.0503 1.0562 1.0061 0.9277 1.3645 0.9621 0.8261 0.9413 0.6507 0.6295 0.6996 0.5892 2.0192 1.5991 1.4752 2.0650 1.7249 1.0857 0.4738 1.0295 1.3287 1.0000 1.0397 0.1387 0.1706 0.1780 0.1684 0.1628 1.1725 1.4300 1.1624 1.3236 1.1805 1.2316 3-formylindole 0.4547 0.5473 0.7348 0.8459 0.7541 1.1560 0.6984 0.6084 1.1062 1.1961 1.2980 1.0564 1.4097 1.2986 1.2462 1.2723 1.3366 1.3740 1.1525 1.4871 1.2078 1.6156 0.8606 0.5446 0.5890 0.9503 0.8088 0.5484 0.7109 1.2812 1.3385 1.3904 1.8674 1.8843 1.8886 0.4717 0.7592 0.6026 0.7925 1.1609 0.5894 0.8419 0.7025 0.7586 0.6848 0.7883 0.6894 0.9095 1.1571 1.9955 1.1353 0.8628 1.0085 0.6481 0.9501 0.8607 0.5057 0.7630 1.2022 1.6260 0.9689 1.2365 1.1210 1.5684 0.7704 0.6559 0.5917 0.4669 0.6647 0.4769 0.9437 1.1375 0.6762 0.9899 0.6499 0.6618 0.7537 1.0079 0.8398 0.8610 1.3116 1.2073 1.4669 1.0158 0.7612 0.6755 0.9387 1.0141 1.1148 0.7577 0.9859 1.1077 1.1849 1.5362 1.5856 1.1909 1.4959 0.8910 0.7403 0.9193 0.7839 0.8423 0.8198 0.9768 1.0082 0.6747 0.9696 0.8785 0.7189 1.1231 1.1259 1.3356 1.6505 1.6566 1.2085 0.5218 0.9578 1.2188 0.8848 0.4382 0.6336 0.5989 0.7051 0.4415 1.0983 0.7268 0.7429 0.7459 1.0921 2.2463 1.2961 2.4626 1.6576 1.2559 1.5893 0.8706 0.7540 0.5840 0.7760 0.8731 0.6330 1.8345 2.0197 1.5464 1.4510 1.3024 1.7824 1.7310 1.2671 1.1029 0.8438 1.1456 0.8910 1.0600 1.0733 1.0416 1.1500 0.8369 1.1793 0.8246 0.4826 0.7531 0.7096 0.7390 0.9095 1.7535 2.0595 1.7019 1.4421 1.3664 1.0524 1.0000 1.1193 1.0873 1.3749 0.7680 1.0133 0.6244 0.9357 0.5639 1.0157 1.0724 1.2407 1.4290 1.0284 1.2167 1.8429 3-hydroxyhexanoylcarnitine (1) 1.6031 1.8094 1.0937 1.5690 1.3579 0.4732 0.6660 0.7327 0.7489 0.6044 0.8032 1.4577 0.8580 0.9561 0.8412 1.0158 1.1145 0.8325 0.5566 1.4460 0.8598 0.8177 1.0322 0.9990 0.6076 0.6206 0.2958 0.9661 0.2958 0.6726 1.0000 1.1755 1.0630 0.8298 0.7418 3.6157 1.2979 1.9099 2.6972 1.5422 1.1294 1.0596 0.8581 0.4813 0.8892 1.1480 1.0957 0.9886 0.7156 2.2619 1.9457 0.9596 1.1959 1.2743 1.7194 2.3877 1.0374 0.7554 0.7988 0.9392 0.8219 1.0316 0.8148 0.8556 1.0041 1.3322 1.3249 1.7652 0.9075 1.5700 1.9365 1.3694 1.5286 1.9248 1.6472 0.9567 0.7852 1.3580 0.9879 0.7154 2.0624 0.6853 0.5694 1.2563 1.6128 1.8138 1.3848 0.8737 0.9033 1.5225 1.3085 1.5918 0.2958 0.6401 0.5142 0.4636 0.9166 0.6740 1.0351 0.8021 1.2910 0.7574 0.2958 2.0642 2.3312 1.4761 3.0804 1.1611 1.3599 0.3221 0.2958 0.6085 0.3366 0.7071 0.5470 1.3598 1.4253 0.9873 0.9133 2.0398 1.5855 1.4301 2.2358 1.7093 2.1548 1.5125 0.9347 1.4675 1.6261 0.2958 1.1259 1.1588 0.2958 1.4676 1.4331 0.2958 0.4559 0.7157 0.7724 0.6764 0.2958 0.7015 0.2958 0.5893 0.7544 0.8921 0.8130 0.9297 0.7976 1.2925 1.8398 1.1554 1.3930 0.7929 0.2958 0.8360 0.9496 1.0830 1.0099 1.0922 1.3175 0.5661 0.7401 0.7634 0.7910 1.1713 1.0979 0.6891 0.5913 0.2958 0.9131 0.7944 0.4577 0.9960 0.8959 0.8398 1.3647 0.7144 0.7893 1.7032 1.5052 0.7872 2.9568 1.0000 1.1968 0.9944 1.1889 3-hydroxystachydrine* 0.8345 1.8565 0.7728 0.6519 0.4466 0.3247 1.4179 2.2543 1.0938 0.6656 0.3138 1.0573 1.0000 2.1611 2.9768 0.4735 1.3563 0.9958 0.4443 0.1738 1.3432 0.3833 0.9083 1.0709 1.8846 0.2496 0.5703 0.5005 0.9745 2.2109 1.1819 1.4752 0.3301 0.3624 0.6004 0.8231 2.1362 1.2684 1.8994 0.3327 0.9881 3.2310 2.2287 0.9885 1.0075 0.3083 0.7281 1.4730 0.8867 0.2682 0.4839 1.3810 2.8336 1.7527 0.7735 0.2592 1.2896 0.6263 0.4744 0.2457 0.8023 0.4694 1.2300 1.8253 4.7609 0.8103 1.0167 0.6544 1.0042 0.7853 0.8767 0.2919 1.0171 2.7345 1.6209 2.0076 0.9970 0.9713 1.2321 2.4190 0.5653 0.6745 0.2715 0.5889 1.3325 1.8942 5.2552 1.3364 0.5924 1.8867 2.9954 2.0395 1.1646 0.3929 0.2330 0.8072 0.5688 1.8990 4.4713 1.1412 1.0948 0.5967 1.6448 0.4964 0.3250 1.1519 1.7514 0.8710 2.5693 1.5345 2.8204 0.8913 0.3635 1.9646 0.7826 1.8078 1.6149 0.3393 0.6634 2.6248 0.5287 3.2280 0.9575 1.4466 2.1216 1.9186 0.6761 1.0111 0.2368 0.6879 1.5568 0.4482 0.7996 0.9729 2.2409 0.1554 0.6214 1.4185 0.5326 1.0669 1.0262 2.3114 0.2410 1.4662 0.6340 1.0262 0.5400 0.3239 0.8745 1.0851 1.8746 3.2643 2.5699 3.2892 1.7512 0.8038 0.1953 0.6813 0.9072 3.8043 1.3635 0.5871 1.5177 1.2679 2.5530 0.5817 3.1305 0.9253 1.3336 2.0182 3.0367 1.6400 4.4062 0.9334 0.3459 2.8281 0.4724 0.6986 0.3961 1.2204 0.3612 3.2126 0.6652 1.6849 2.4415 0.9782 0.3991 3-methoxytyrosine 2.2922 2.1561 2.1768 0.7161 0.5838 0.8613 0.7148 0.8946 0.7051 0.3060 0.3218 0.9650 0.9923 1.3655 0.9318 1.1526 1.1502 0.1991 0.8316 0.1991 0.9814 0.1991 1.4167 1.0304 0.7936 0.3769 1.0813 0.7086 1.1979 0.9367 0.7282 0.6617 0.2039 0.1991 0.1991 1.5639 1.1019 1.1645 1.4446 1.5091 1.4460 1.4689 1.1866 1.3661 1.2076 1.1926 1.1523 0.7816 0.6506 0.1991 0.1991 0.9046 0.1991 0.9043 0.1991 0.5102 1.1121 0.9654 0.7522 0.4961 1.1505 0.5813 1.3746 0.3924 0.8699 0.7706 0.7623 1.0372 1.3251 2.2894 0.8469 0.9320 1.6251 0.7801 2.0431 1.4710 1.4083 1.7606 1.5830 2.1113 0.3410 1.0077 0.1991 0.1991 0.9514 1.0242 1.1488 1.1129 1.3962 1.1868 1.3513 1.3129 1.1206 0.3643 0.6031 0.8252 0.8693 1.0791 1.6009 1.3362 1.4397 1.1453 1.1687 0.3761 0.7005 1.4425 0.3345 1.1577 1.5175 1.4174 1.1241 1.5120 0.5652 0.4756 0.1991 1.4952 0.4359 0.4437 0.1991 2.8919 2.9291 1.8136 2.5078 2.9696 0.9073 1.6097 1.0640 1.3482 0.7263 0.6656 1.1398 0.3299 1.3457 1.3301 0.6197 0.4020 0.8377 1.1230 0.4062 0.5301 1.1104 0.6264 0.4997 1.2238 0.8825 1.4353 0.4406 0.5070 0.1991 1.4317 0.9583 0.1991 1.2084 0.6946 1.0186 0.9779 0.9099 0.9515 0.6986 1.3663 0.9173 0.9756 1.0977 1.0851 1.0413 0.1991 0.1991 0.6222 0.6800 0.8021 0.4244 1.1295 1.1318 0.7316 0.4423 1.1328 0.4744 1.2350 0.5382 1.4443 0.3219 1.0262 0.6024 0.7941 0.8891 0.1991 0.4630 3-methylglutarylcarnitine (2) 0.1997 0.5412 0.1997 0.1997 0.4879 0.7408 0.7693 1.1158 1.1799 0.8724 1.4203 1.0000 1.0680 1.0208 0.8357 1.1505 0.9056 0.1997 0.7372 0.4566 0.5557 0.2477 0.7742 1.6304 1.1877 1.7941 1.8363 1.4775 1.5334 1.3746 1.2518 0.9697 0.9799 1.0373 1.1559 0.7079 0.5652 0.9272 0.8987 0.9322 0.8632 2.3006 2.1353 2.2951 1.8001 1.7043 2.1100 1.9348 2.0159 1.5856 0.9247 1.6989 0.6604 0.3370 0.1997 0.5717 0.4801 0.1997 1.3349 0.7194 1.2911 0.9896 1.2855 0.8412 0.5613 0.1997 0.1997 0.5067 0.4361 0.6151 0.1997 0.5953 0.8171 0.2776 0.8107 3.1322 3.1121 2.9120 2.8877 3.5505 0.2396 1.1453 0.8010 0.1997 0.7847 0.4087 0.7119 0.5214 0.4213 0.5184 0.3964 0.4379 1.7006 0.9759 1.2070 1.7162 1.8153 1.6507 1.8266 1.5674 1.5142 1.8752 1.5335 0.5737 0.9777 1.3004 0.5352 1.1210 1.1291 1.9341 1.7886 1.8913 1.5626 1.2771 1.3452 0.6751 0.4415 0.6359 0.1997 1.0028 0.9277 1.0623 0.5495 0.7736 0.4882 1.0917 0.8456 0.7060 0.5339 0.1997 0.3090 0.1997 0.4630 0.3542 0.1997 0.8050 0.8859 0.8709 0.6898 0.5750 0.4876 0.3012 0.4872 0.1997 0.6458 0.7136 0.4291 1.1613 1.1071 1.3788 1.4191 0.9401 1.3742 1.3541 1.1857 0.7908 1.0553 1.0038 0.9891 1.3325 1.3052 1.2733 1.6549 1.2235 2.2002 0.3507 0.1997 0.9972 1.0318 1.1728 1.6579 3.2363 4.0135 2.3804 3.3616 4.2274 0.2867 0.7794 0.1997 0.5175 0.1997 1.6041 0.1997 1.6870 2.0608 0.5329 1.0130 3-methylhistidine 1.3996 2.4534 0.8849 0.5560 0.5228 1.0691 0.9771 2.3725 0.6020 0.2112 1.2736 1.3203 1.1176 3.0940 1.8132 1.6272 1.8482 0.3845 0.5601 0.8818 2.0332 0.4874 0.7197 1.9677 1.1269 0.9134 0.6259 0.4787 0.9391 2.6942 0.8977 1.2496 0.8264 1.4129 0.8394 0.7183 2.0560 1.1176 1.5038 1.8170 1.3639 2.4311 2.3907 1.4226 1.2529 2.1366 1.3384 2.1238 0.8766 0.7607 0.4573 1.5434 0.2002 1.9189 0.6926 0.7593 1.1195 0.4870 0.6458 1.3500 0.9446 0.8965 1.7997 0.8485 0.9785 0.7835 0.7662 0.6186 0.5645 0.6518 0.4206 0.3319 0.8274 0.3874 0.5352 1.8517 1.0173 1.0058 1.4806 2.9890 0.5572 0.5412 0.8582 0.5676 1.4006 2.4048 1.5147 1.1209 1.8675 1.3818 2.4707 1.4643 1.9402 0.4489 1.0373 0.8380 0.2838 2.5244 1.8978 1.3932 1.4430 1.9624 1.7258 0.6575 1.3987 1.6583 0.9095 0.7500 2.5824 1.6521 3.2786 1.5552 0.0985 0.4675 0.9569 1.0000 0.4356 0.7773 0.5014 1.7021 1.3000 0.8449 0.6886 1.0128 0.3863 1.1370 0.5087 0.6592 0.8696 0.4954 2.2009 0.8592 0.8179 0.9872 0.9064 0.8179 0.4031 1.1352 0.4682 0.1857 0.5245 0.8631 0.9102 2.1359 0.7584 1.1991 0.6945 1.4206 1.0209 0.8940 1.8444 1.1150 3.1413 1.2236 2.1796 1.0424 2.1631 0.8666 1.0484 2.3376 1.6692 2.3735 1.6648 1.6501 3.0599 0.4416 0.2063 0.6903 1.2681 3.0274 0.7519 0.9422 3.3286 1.0071 1.5078 1.4872 0.5374 0.4864 0.4929 1.8909 1.0252 0.4509 0.3072 0.1284 0.3189 0.1646 0.0144 3-phosphoglycerate 0.5160 1.2184 0.5145 0.7002 0.9554 0.4549 2.2354 2.0272 1.6441 1.9927 0.8759 1.6909 1.2772 1.6511 1.1064 0.6317 1.9662 0.8229 1.0768 1.3065 2.1516 1.3179 5.2573 1.5333 0.4095 0.7189 0.6252 0.4483 8.2603 1.6173 1.0000 1.9292 0.3763 1.0204 2.0870 1.0729 1.1514 2.0697 0.8901 0.4901 0.8279 1.0633 1.0921 1.2566 1.1924 1.1070 0.4543 0.8790 2.1265 0.6397 0.6420 1.1061 0.3244 1.0099 0.7133 0.8598 0.5659 0.7919 0.7454 0.5845 1.0575 0.3092 0.7923 0.4998 0.9038 1.1420 2.0855 0.2480 0.6076 0.8214 1.4092 0.6802 1.4621 0.9503 1.6357 0.2480 0.4526 0.4683 0.8439 1.2797 1.1569 1.1877 0.6489 0.9853 1.2593 1.0998 0.6046 1.0809 1.8253 10.7451 2.0966 1.6911 0.8750 0.9281 0.2480 1.8330 0.6686 1.0222 0.9160 0.2480 0.3379 0.9592 0.6269 0.5039 0.7062 0.7222 0.5904 0.6229 0.8807 0.9403 2.3411 0.5271 0.8208 0.6564 0.2480 9.4487 0.6098 0.6765 0.2480 0.5710 1.0827 5.1103 0.4057 1.1978 2.4987 0.4277 0.3491 0.6141 0.2480 0.2480 1.2753 0.8710 0.6961 0.9430 0.7952 0.7555 1.1447 1.2802 1.0354 1.0000 0.7706 0.5183 1.0206 1.1141 0.7313 1.0803 0.6761 0.9949 0.9810 0.9355 2.6509 0.7879 2.5735 2.5622 1.2327 1.9817 0.9367 0.4683 1.3135 1.0643 0.8498 1.1209 1.4457 0.8506 7.0391 0.8087 1.0946 1.0578 1.1812 1.0774 1.1307 1.1220 5.3495 1.1602 1.2684 0.9166 1.2144 0.7041 0.6774 1.0913 1.4918 1.3270 1.0037 10.5872 1.4724 0.9315 0.6850 4-acetamidophenol 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.5623 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.6130 0.2188 0.9244 0.6767 0.2188 0.2188 0.7044 0.8392 0.5863 0.2188 0.4303 0.2188 0.2188 137.6620 4.4645 0.2188 0.2188 0.2188 0.2188 0.5676 0.2188 0.2188 2.9470 0.7855 1.0533 0.8321 0.9467 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.7486 1.3298 0.2188 0.2188 1.1556 1.0375 0.6490 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.3399 0.2188 0.2188 0.2188 0.2188 0.4919 0.7853 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.4982 0.2188 512.3040 0.2188 212.7113 1309.0529 980.6641 773.3713 1.0668 0.2188 0.2188 0.2188 0.7603 0.9625 1.1150 1.0668 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 3.3284 54.8391 566.8012 0.7889 0.2188 81.5203 0.5211 41.7810 0.2188 1059.6621 0.2188 2.7516 0.2188 0.2188 0.8037 0.8502 0.2188 2.8866 0.2188 0.2188 0.2188 0.2188 0.2188 0.5166 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 227.9360 271.0081 319.6362 1.1357 2.4580 0.2188 0.2188 0.2188 0.2188 0.4839 0.2188 0.2188 0.7978 0.2188 5.7167 0.4755 0.2188 0.2188 0.2188 0.2188 0.2188 0.2188 4-guanidinobutanoate 0.8468 0.3659 0.3659 0.3659 0.5110 1.3468 0.8222 0.6751 0.6505 0.3659 1.7505 1.0121 0.8204 0.3659 0.5865 1.3274 0.6833 0.6602 0.3659 0.8360 0.6627 0.3659 1.2170 0.6030 0.9963 1.4474 0.3659 0.3659 0.7382 3.0586 1.4726 1.7919 1.0619 4.8490 1.3219 0.3659 0.7406 1.1115 0.6608 0.9813 0.3659 3.4153 2.3892 2.4510 2.0574 4.1461 1.4878 0.3659 0.5647 0.6258 0.3659 0.3659 0.3659 0.3659 0.3659 1.6807 0.3659 0.5074 0.8256 1.3544 1.1332 0.8477 1.5184 0.8429 0.9999 1.0001 0.3659 2.1546 0.3659 0.3659 0.3659 0.3659 0.4306 0.3659 0.3659 0.5683 0.3659 0.3659 0.3659 0.3659 0.3659 0.5462 0.8237 0.3659 0.3659 0.3659 1.8084 1.6512 2.8119 1.1589 1.8986 2.1509 0.3659 0.3659 0.3659 0.3659 0.3659 1.5621 1.1920 0.6139 0.4501 2.6530 0.9150 1.4753 2.7074 1.7741 2.0641 2.3692 2.2276 1.0123 1.3161 0.7579 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.3659 0.5004 0.7113 0.7622 0.3659 0.3659 0.3659 0.6070 0.5233 0.8294 0.6951 0.3659 0.7480 0.6960 0.6117 0.6934 0.8642 0.3659 0.5003 0.3659 0.3659 0.3659 0.3659 1.0563 1.8259 1.1820 1.1685 1.3018 0.6510 0.8694 0.3659 0.5971 0.3659 0.3659 1.0000 1.9596 2.0727 1.8243 3.1588 1.2459 1.5629 0.9873 0.3659 1.6783 0.6998 0.3659 1.2336 0.5218 0.3659 0.3659 0.8356 0.8364 0.3659 0.3659 1.6709 0.4820 1.0057 1.0971 0.3659 0.7237 0.3659 0.3659 0.7334 0.6087 0.3659 0.3659 0.3659 0.3659 0.3659 5-(galactosylhydroxy)-L-lysine 1.0774 0.3700 0.9902 0.5600 0.8914 1.0000 1.2066 0.2424 1.0509 1.2738 0.8419 0.9836 0.2424 0.2424 0.2424 0.4370 0.2424 0.9538 0.2424 0.2424 0.2424 0.2424 0.8194 0.2424 0.2424 0.6129 0.2424 1.1550 1.0185 1.2342 2.8848 1.7983 0.8103 1.1907 0.8528 1.6258 1.4665 1.7708 1.0842 0.9345 0.5772 0.2424 1.5152 0.8800 1.4529 0.7665 1.1226 1.4004 0.4971 0.2424 0.8410 0.7100 0.7495 0.2424 0.5203 1.5669 0.9606 1.7001 0.9663 0.5687 1.4814 0.2424 1.5865 0.2424 0.2424 0.9577 0.8370 0.8387 0.2424 1.1387 0.6764 1.9554 0.9445 2.0478 0.8678 1.0133 0.7564 0.2424 0.6059 0.7227 1.0584 0.2424 0.9776 0.2424 0.2424 0.2424 0.2424 0.7149 1.4655 0.2424 0.7509 1.0977 0.2424 0.2424 0.2424 0.2424 1.0319 0.7626 0.2424 0.2424 0.2424 1.6536 0.3961 0.9954 0.4205 0.6070 1.2261 1.3895 0.2424 2.5897 1.2970 0.2424 0.2424 1.8862 0.7686 0.8991 1.2674 1.3847 0.2424 0.2424 0.9350 0.2424 1.0846 0.3860 0.2424 1.2633 1.1535 1.6039 0.6516 0.2424 0.2424 0.2424 0.2424 0.2424 0.7280 1.1980 1.3639 2.1955 1.9629 1.7246 2.1788 0.2424 0.2424 0.2424 0.2424 0.5230 0.4815 0.8041 0.2424 2.0671 1.6208 0.2424 2.2257 1.0514 1.2749 0.2424 1.0455 2.0915 0.9413 0.2424 1.2653 0.2424 1.1679 0.2424 0.2424 0.6214 0.2424 0.2424 0.8023 0.9815 0.7645 0.2424 1.5348 1.0425 0.2424 1.5799 0.6503 0.7296 0.2424 1.8148 0.5287 0.9525 0.2424 0.2424 0.7790 0.6221 1.4132 5-methylthioadenosine (MTA) 0.9056 0.6637 0.8263 0.7279 0.9552 0.7966 0.9786 1.0183 0.7396 0.8808 1.1356 0.7120 0.8957 0.7115 0.8785 0.8433 0.7874 0.9383 0.8157 0.9414 0.8160 1.1472 0.7010 0.7253 0.6810 0.7255 0.8531 0.9300 0.6782 1.2703 1.1901 1.2410 0.9776 1.1963 0.8676 1.4182 1.4794 1.5515 1.5403 0.9208 1.4406 1.1989 1.1132 1.0707 1.1071 1.1533 1.1520 0.7950 0.6343 0.9388 0.8826 0.8794 0.8656 1.2197 1.1773 1.3001 1.1320 1.0912 0.7003 1.0483 0.8353 0.8674 0.9388 0.8767 0.8906 0.8733 0.9426 0.9902 0.8303 0.8701 0.8517 0.7033 0.9918 1.1268 0.9829 0.8323 0.7224 0.6885 0.8105 0.8132 1.0805 1.0886 1.2662 0.8089 1.3243 1.1508 1.3479 1.2588 1.3503 0.9544 1.1763 1.3152 0.9692 0.9029 0.9291 0.9092 0.9605 0.9340 0.9446 0.8408 0.9910 1.0153 1.0750 1.2736 0.9473 0.9468 1.1130 0.9549 0.7791 1.0083 1.0638 1.0114 1.1068 0.8214 1.0698 0.4852 0.7377 0.8151 0.6836 0.8352 0.8816 0.6807 0.6041 0.7882 0.6617 1.1567 0.9607 1.2343 1.2406 1.3952 1.2407 1.1937 1.2884 1.1843 1.2477 1.0148 0.7841 1.0284 1.0082 0.9705 1.1683 1.0262 0.8537 0.8293 1.0111 1.1359 0.8995 1.0784 1.0280 1.1988 1.3510 1.2105 1.0807 1.1460 1.2677 1.1364 1.1582 1.2078 1.2866 1.1928 1.0090 1.2698 1.2482 1.2731 1.0923 1.1073 0.8749 0.9769 1.1134 1.2322 1.0775 0.9670 1.2056 1.2787 1.2359 1.5961 1.0757 1.1889 1.0383 0.9898 1.1946 1.1167 1.0307 0.4852 1.2466 0.7261 0.8383 7-methylguanine 1.1029 0.8835 0.9233 1.0663 0.9713 1.0007 0.9669 0.9865 0.9891 0.9940 1.0830 0.9066 0.9415 0.9274 0.8663 0.8803 1.0380 0.7414 0.5846 0.6778 0.7006 0.7182 0.8119 0.7237 0.9640 0.8221 0.8180 0.9450 1.0059 1.0657 1.0575 1.0919 0.7033 0.9295 0.9476 1.1133 1.0896 1.0693 0.9971 0.9460 1.0944 1.0527 1.2321 1.1429 0.9188 1.0599 0.9111 0.8350 0.7483 0.9447 0.7429 0.7436 0.7250 0.7900 0.8172 1.0114 0.7943 0.7334 0.9665 1.0551 1.0205 1.0413 1.0375 0.9704 1.0851 1.0208 1.0389 1.0951 1.1691 1.0345 1.0804 1.0271 1.1302 1.2299 0.9518 1.0228 1.0112 1.0614 0.9511 0.8983 1.2658 1.2948 1.1921 1.1593 1.3462 1.3742 1.0345 1.0407 1.0079 1.0510 1.0727 1.1668 0.9305 0.8644 0.6788 0.8503 0.9662 1.1252 1.0113 0.9930 1.0820 1.1866 1.0901 0.8965 0.9702 0.8277 1.0537 0.9965 0.8421 1.0719 0.9863 1.0021 0.9619 0.9117 0.8614 1.0034 0.9164 1.0000 0.8936 0.9396 1.1165 1.0357 1.1302 0.9294 0.7381 0.9991 1.1242 1.1002 0.9464 0.8807 0.8434 0.8389 0.8357 0.7102 0.9239 0.7261 0.9415 1.0694 0.9895 0.8499 1.0466 0.7339 1.0270 0.7005 0.8144 0.9770 0.9120 1.3101 1.0742 1.3898 1.3562 1.2287 1.2078 1.0283 1.0360 1.0597 0.8532 1.1645 1.0628 1.2298 0.9574 1.0442 0.9276 0.9303 0.9844 1.1772 1.0009 1.1211 1.3082 1.2047 0.8356 0.9512 1.0015 1.0392 1.0190 1.1197 0.9953 1.1997 1.0234 1.0266 1.0886 1.0532 1.0006 0.9582 0.8220 0.9058 1.1703 acetylcarnitine (C2) 1.1936 1.1446 0.6494 1.2556 1.4258 1.0179 0.8207 0.7449 0.4977 0.7506 1.0000 0.9026 0.7427 0.7273 0.8294 0.8419 0.8863 1.0590 0.4054 1.5669 0.7250 1.2211 0.9637 1.1449 0.7591 1.1621 0.5992 1.4156 1.1239 0.7668 0.7718 0.8718 1.1018 1.2091 1.0009 1.3139 0.8421 0.9687 1.0644 1.0642 0.7939 0.9208 0.8309 0.7436 0.8873 0.8949 1.6277 0.6628 0.3843 1.6815 1.1975 0.8717 0.8072 1.0431 1.3630 1.8458 0.9272 0.5757 0.6631 1.0973 0.9689 1.0981 0.9398 1.0381 1.0744 1.1446 1.0950 1.5443 1.0540 1.2503 1.4291 1.3064 1.2656 1.1911 1.2313 1.1273 0.8962 1.6728 1.2869 0.9405 1.3807 0.5285 1.1955 1.2145 1.2748 1.2489 0.9751 0.9228 0.8670 1.4258 0.8282 1.1031 0.8428 1.0691 1.1577 0.9831 0.8674 0.7417 0.7717 0.6562 1.1852 0.6718 0.9780 1.2113 1.3263 0.9464 1.3270 0.5698 0.8026 0.9792 0.7584 0.6123 1.2287 1.0862 1.0778 1.2026 1.3804 1.5288 1.4149 1.3328 1.2553 1.3259 1.3918 1.2071 1.3486 0.7936 0.4403 0.8238 1.3240 0.9765 1.2412 1.4268 0.5008 1.0084 1.1741 0.7181 0.3759 0.5536 0.7911 0.6922 0.5756 1.2275 1.2256 0.8117 0.6339 1.1178 1.1234 0.9509 1.0327 0.7596 1.2847 1.1684 1.0559 0.9372 0.7779 0.7758 0.7474 1.4298 0.9994 0.8823 1.2913 0.7742 0.9847 0.8270 1.0006 1.1563 1.2431 0.4270 0.9540 0.7117 1.3556 0.6249 1.1356 1.7427 1.3605 1.1782 0.8483 0.4211 0.6933 0.8175 1.4521 0.7391 1.3763 0.7704 0.9196 0.9148 1.1164 adenine 0.9032 1.1962 1.2957 1.4927 0.9264 1.2269 1.2929 0.5818 1.8620 1.2230 0.8859 1.5771 1.3685 0.2692 0.2692 0.2692 0.7628 0.7059 1.2714 1.0104 0.7143 0.9956 1.1759 0.7313 0.9617 0.8262 0.7202 1.1289 0.7129 1.2775 1.3560 1.3398 0.6701 1.5639 0.9360 0.7234 1.6136 1.1426 0.9461 0.9353 0.9248 0.7893 1.1883 0.8409 1.5257 0.8671 1.5073 1.2292 0.8958 0.9441 0.8959 0.6904 1.6193 1.0044 1.2497 0.9482 1.7083 0.8105 0.8114 0.2692 0.7032 1.0643 0.7885 0.7098 1.0974 1.0602 1.2250 1.0876 0.9404 0.2692 1.2570 0.4620 0.8506 1.2673 1.3312 0.2692 1.2626 0.7555 0.2692 1.0889 0.9755 0.7491 1.3573 0.5048 1.1251 1.0942 1.1528 1.0974 0.9355 0.9319 1.1370 0.8010 0.9111 0.8134 0.7609 0.9540 1.0718 0.7238 0.9203 1.3712 0.7801 1.1179 1.0555 0.9530 0.2692 0.7150 1.6162 0.8836 0.7252 1.2896 1.0000 0.7006 0.9975 0.6925 1.3997 0.7935 0.9124 0.8774 1.0528 0.8784 0.6560 0.7774 0.2692 0.8045 0.2692 0.8563 1.0445 0.9805 1.0424 1.2393 1.1419 0.9729 1.0470 0.9556 1.5826 0.9632 0.2692 0.8432 1.4953 0.9280 0.7578 1.0443 1.6960 0.9319 0.9668 1.2433 0.8854 0.8873 0.2692 1.0473 0.9876 1.2512 0.9974 1.0553 1.2565 1.2390 0.6437 0.9924 0.9106 1.4532 1.6679 1.3915 1.2433 1.3205 1.1326 1.4702 0.6539 0.8904 1.1842 1.1644 1.1592 1.5111 0.2692 0.2692 1.8493 1.1700 0.7754 1.8772 0.8103 1.0456 1.0670 1.8005 1.6166 1.5187 0.9442 1.0052 0.2692 adenosine 0.4960 0.3950 0.3950 1.2929 1.5151 0.7899 0.3950 0.6233 0.8593 0.3950 0.9466 1.2048 1.0559 0.3950 0.3950 0.3950 0.3950 0.3950 1.1605 0.3950 0.3950 1.1591 1.1781 0.3950 0.3950 0.3950 0.3950 0.3950 1.9732 0.3950 1.2241 0.3950 0.3950 0.3950 0.3950 1.0991 1.9653 1.3594 0.8462 0.3950 0.3950 1.0390 1.0818 0.9868 0.8915 0.6406 0.9608 1.1286 0.3950 0.3950 0.3950 0.3950 0.3950 0.9084 0.9455 0.8978 0.3950 1.2174 0.3950 0.3950 0.3950 0.3950 0.3950 0.3950 0.3950 0.8083 1.9128 0.3950 0.3950 0.3950 0.3950 1.1447 0.9625 0.7279 0.3950 0.3950 0.3950 1.5800 0.3950 0.3950 1.2494 1.4452 1.3617 0.6350 0.3950 0.7547 0.3950 1.1646 0.3950 1.7699 0.3950 0.3950 0.3950 0.9015 0.3950 0.9945 1.2697 0.3950 0.3950 0.3950 0.3950 0.3950 0.3950 0.9214 0.3950 0.3950 0.3950 0.8706 0.3950 0.9790 0.5982 0.3950 0.3950 0.6348 1.0833 5.7101 0.3950 2.0117 0.3950 0.3950 0.3950 0.3950 0.5237 0.3950 0.3950 0.7919 0.3950 0.8995 0.3950 0.8723 1.4657 0.3950 0.3950 0.9322 0.3950 0.6308 0.5516 1.2616 1.1305 1.1240 0.9164 0.3950 0.7132 0.3950 0.3950 0.3950 0.5979 0.6840 1.1599 2.1890 1.6461 1.0077 1.7348 0.3950 0.6580 1.1721 0.3950 0.3950 1.0158 0.7405 0.6147 1.2581 1.5707 1.0055 0.3950 0.8545 0.3950 0.3950 0.6337 0.3950 0.4372 0.3950 0.7032 0.3950 0.9923 1.1032 1.0112 1.5214 0.3950 0.9198 0.8546 1.7174 0.7353 4.4942 1.4548 0.7508 1.5846 AMP 0.6695 1.0005 0.6631 1.1562 0.8764 0.8811 1.2075 1.1400 1.1062 1.0744 1.1147 1.0205 1.1527 1.0290 1.2590 0.7681 1.0603 1.2527 1.8365 1.4341 0.4485 2.0851 2.0346 0.5058 0.7356 0.6961 0.5102 0.9553 4.1194 1.3839 1.3377 1.7487 0.3176 1.1654 1.1131 1.4129 1.7613 1.7358 0.5592 0.2508 1.3512 0.8076 0.6889 0.5786 0.7322 0.7472 0.4559 1.1272 1.3504 0.6931 0.9231 1.0000 1.0969 1.2933 1.3389 1.4374 1.5380 1.4855 0.5578 0.8096 0.7603 0.6417 1.0565 0.5325 0.8468 1.6170 1.9567 0.8644 1.1191 0.5001 1.1038 0.7652 1.3280 0.8914 1.1479 0.5990 0.5142 2.3425 0.4894 0.8732 1.2524 1.0077 0.9520 1.0117 0.9607 0.8444 0.6992 0.8939 0.9994 5.5921 0.9817 0.9862 1.6450 1.2120 1.1228 1.4197 2.2776 0.4687 0.8275 0.9249 0.6211 1.1538 0.4465 0.6917 0.8113 0.6667 0.6551 0.7357 0.6410 0.5685 0.8994 0.9051 1.1302 0.3861 0.9050 8.1295 0.9789 1.6256 1.1206 0.5178 0.8245 2.0885 1.5208 0.7328 0.7039 0.8523 0.6675 0.7945 0.6059 0.8920 1.0006 0.9378 1.0637 0.8612 0.8377 0.9486 0.8941 1.0581 1.2339 0.7419 0.9013 0.6949 0.9680 0.8942 1.2293 0.9755 0.8613 1.5432 1.6082 1.5986 2.6701 1.4651 2.2943 0.9742 1.0093 1.2621 0.9044 0.7806 0.9232 1.3838 1.5364 1.5963 1.3428 1.1423 2.4511 1.1768 0.6245 1.2686 0.9660 1.2029 0.9946 0.8906 1.3531 0.9849 1.0480 0.8365 1.2007 1.3539 1.0812 1.3256 0.9799 1.2544 1.2746 7.8873 1.7315 1.1746 1.1363 adipoylcarnitine (C6-DC) 1.7885 2.7260 1.9629 2.4629 1.8917 1.2299 0.7486 0.9737 1.0928 1.0585 1.3764 1.1867 1.3003 1.2523 1.0815 1.7507 1.1096 0.7905 0.5731 1.0121 0.7474 1.0693 0.7800 1.2284 1.1106 1.0713 1.3153 1.7124 1.0248 1.1599 1.5991 1.4608 1.2257 0.8483 0.9606 1.8192 0.8024 0.9738 1.1602 0.5982 0.7422 0.6373 0.9983 1.0762 0.9727 1.0017 0.8882 0.8471 1.0056 1.2737 1.8832 1.1632 1.1073 1.5151 1.8353 2.4818 1.9110 1.3667 0.8695 1.1278 0.8485 0.7093 0.9759 0.6545 1.2395 1.6160 1.3312 1.4163 1.9749 1.0902 1.0858 1.0409 1.3326 1.0260 1.2284 0.9910 0.6232 0.9944 0.9517 0.8864 1.7359 1.2055 0.9452 1.1227 0.9133 0.8944 1.0000 0.8011 1.0579 0.9932 0.8225 0.9178 0.7551 0.6371 0.6982 0.6592 0.8156 0.9864 1.6348 1.3109 1.8893 1.5085 1.5577 1.2041 0.8530 0.8387 1.2454 0.8581 0.8705 0.4719 0.5072 0.6181 0.6697 1.0153 0.7934 1.5253 1.1990 1.1899 1.5126 1.9538 0.9391 0.9897 1.5932 1.4096 1.2615 0.9017 0.4719 0.6810 1.2621 0.4719 0.7671 0.5096 0.5617 0.7722 0.6319 0.6498 0.8732 0.5792 0.6824 0.6765 0.7298 0.8523 0.8204 0.7264 0.7881 0.9155 0.7500 1.5277 1.5350 2.2355 1.8457 1.4519 1.8417 0.9830 1.0235 0.9961 1.0473 1.1643 1.0732 1.0079 0.9959 0.5535 0.8581 0.7623 0.8686 1.9747 1.5399 0.6204 0.6553 0.8089 0.6964 0.9776 0.8493 1.1738 0.8180 1.0956 0.7633 0.6653 0.5964 1.0687 0.7368 0.6662 3.5647 0.8165 0.9246 1.5911 0.9378 alanine 1.6215 1.2078 0.9578 0.6222 0.4942 0.6603 1.7312 1.4608 1.0000 0.5511 0.8825 1.2878 2.0757 2.1941 1.5776 2.3737 1.8721 0.4671 0.4955 0.4695 0.8183 0.3894 0.8824 0.7671 0.9175 0.5145 0.6574 0.8064 1.1948 1.5290 1.1591 1.5159 0.7045 0.4660 0.5370 1.2827 1.5340 1.5445 1.5726 1.1485 1.4804 1.9269 1.5574 1.7553 1.1940 1.3004 0.8794 1.3410 0.9902 0.4366 0.5324 1.2427 0.4765 1.2967 0.5593 0.3987 1.1113 0.8166 0.9853 0.8713 1.6511 0.8135 1.2727 0.8463 1.9996 1.8205 1.1011 1.1889 1.0973 0.6262 0.4364 0.3647 0.9155 0.6699 1.0877 1.1433 1.3633 0.8080 0.7031 1.0977 0.4749 0.8944 0.4739 0.5442 1.4122 1.1020 1.3989 0.9211 1.4510 0.8213 0.8941 1.2767 1.3870 0.8019 0.6212 1.4564 0.7050 1.5044 1.1746 1.5616 1.0711 1.4219 1.4204 1.0236 0.9967 1.3253 1.1911 1.4137 1.9189 1.3250 1.9224 0.9011 0.3971 0.4018 0.5464 1.3726 0.5329 0.4902 0.5973 0.7063 1.0983 0.6047 1.0432 1.1685 0.6326 1.4597 1.1350 1.3234 0.5633 0.7039 1.0072 0.4885 0.6115 0.9928 0.7407 0.6315 0.8670 1.2630 1.0258 0.7644 1.5017 0.6779 0.7498 1.1961 0.8317 1.6485 0.7132 1.0133 0.6740 1.0218 1.5021 0.9075 1.2692 0.8752 1.1375 1.3001 1.0645 0.9099 1.1839 1.0704 0.9154 1.3679 1.4725 1.3601 1.5990 0.4704 0.4120 0.7155 1.2992 1.1914 0.5335 0.9061 1.7758 0.7798 0.4948 1.8839 0.4363 0.7072 0.4055 1.2026 0.3374 1.4186 0.9011 0.8010 1.2262 0.5679 0.5557 alliin 0.1209 0.8516 0.1209 0.1209 0.1209 0.1209 0.1209 1.6474 0.1209 0.1209 0.1209 0.1715 0.1209 1.4111 2.1997 0.1209 0.1209 0.1209 0.1209 0.1209 0.4213 0.1209 0.1209 1.5354 2.3966 0.1209 0.1209 0.1209 0.1209 3.9249 0.3581 0.8686 1.4499 0.4706 0.1209 0.1209 3.1603 0.3521 3.8837 1.2216 0.1209 5.1045 1.2700 0.1209 0.2069 0.7965 0.1209 0.3612 0.1209 0.1209 0.1209 0.1209 0.1209 0.5793 0.4384 0.1209 0.1209 0.1209 0.1209 0.1209 0.2223 0.1209 1.6005 1.0759 0.1209 0.1209 0.1209 0.1209 0.1209 0.1209 0.1209 0.1209 0.1209 0.6152 0.9918 1.1646 0.1209 0.1209 0.1209 1.1088 0.1209 0.1209 0.1209 0.1209 0.1209 0.6908 2.5707 0.1209 1.0000 1.1128 4.9198 1.4144 4.6761 0.1209 0.5074 1.0648 0.5931 4.0159 2.7027 0.1209 0.5528 0.8310 0.9788 0.1209 0.1209 0.5216 0.1209 0.3149 1.6796 1.0574 4.7868 0.6555 0.1209 0.9872 0.1209 0.1209 0.3265 0.1209 0.1209 3.6656 0.5541 2.5193 0.6050 0.7975 0.1209 1.5389 0.1209 0.1209 0.1209 0.1209 0.4832 0.1209 0.1209 0.1209 0.1209 0.1209 0.1209 0.8735 0.1209 0.5887 0.1209 1.5585 0.1964 3.1295 0.3625 1.0000 0.1209 0.1209 0.1209 0.6104 1.1969 3.7812 4.1193 2.6077 4.4090 0.3638 0.7807 0.9406 0.8957 1.3069 0.1209 0.5017 0.1209 0.1209 3.0986 0.1209 0.1209 0.1209 0.4969 3.7694 1.3680 0.1209 3.9206 0.1209 0.1209 0.7041 0.6694 0.1209 0.1209 2.1238 0.1209 1.4761 0.1209 0.1209 0.1209 0.1209 0.1209 argininate* 1.1988 0.7421 0.7003 0.4966 1.2640 1.8399 1.3715 1.3958 0.9897 0.9304 1.9526 0.6847 0.6387 0.7120 0.8325 0.7119 0.8460 0.4834 0.6414 1.3765 1.1889 0.7741 1.3421 0.6152 0.4179 0.8799 0.3700 0.5697 0.7731 1.1315 1.0626 0.9556 0.6659 1.5632 1.0042 1.1671 1.6403 1.5289 1.6772 1.7295 1.2903 1.4862 1.1564 1.1256 1.1748 1.4437 0.8907 1.6969 1.3984 1.4847 0.9498 1.6745 0.6043 1.9585 0.7182 2.1716 1.3435 1.1010 1.0464 1.5998 1.4477 1.2264 1.1728 0.8596 0.3700 0.4446 0.3181 0.3343 0.1987 0.1942 0.1942 0.6020 0.3129 0.2712 0.3239 0.7032 0.9139 0.6387 0.6723 0.8252 0.8592 1.0003 2.5360 0.5090 1.3973 0.9487 1.4485 1.3352 1.9395 1.0787 1.3274 1.6856 0.8794 0.8259 1.1732 1.3105 0.8625 0.1942 0.4450 0.5324 0.3688 0.5674 0.4325 1.3356 2.1021 1.3073 1.0000 1.0297 1.2403 1.3659 1.1719 0.7508 1.5249 0.7009 0.7802 0.1942 0.3465 0.7170 0.1942 0.2809 0.6177 0.5661 0.2216 0.1942 0.1942 0.6867 0.7776 0.8875 0.8504 1.9886 1.4489 2.1142 1.1830 1.5954 1.0682 0.7066 0.4646 0.8298 0.7065 0.6575 0.8421 2.3481 3.0510 2.8755 2.2744 2.8600 2.6524 2.1683 1.4679 1.2199 1.7777 1.3474 1.5419 1.1767 1.3001 1.2063 1.2235 0.9497 1.3238 1.0532 0.7901 1.0362 1.0224 0.8305 1.1609 1.0257 0.3941 0.9519 0.9958 1.3267 0.5392 0.7593 1.5555 0.6266 1.0834 1.4415 0.4852 0.6304 0.7323 0.7275 1.4416 0.6348 0.5658 0.5549 0.4947 0.3935 1.0332 arginine 1.3897 1.5052 0.9418 0.7486 0.4965 0.6443 1.4710 1.5141 0.9028 0.5875 0.7174 1.4923 1.4530 1.8209 1.6216 1.4554 1.6263 0.4619 0.6366 0.5264 1.2187 0.4849 1.1508 1.0275 0.9880 0.4722 0.6630 0.6799 1.0110 1.3015 0.6956 1.2693 0.4526 0.4882 0.5794 1.3735 1.4573 1.3500 1.5623 1.5673 1.3665 1.8710 1.5592 1.6947 1.5776 1.4845 1.5179 1.5393 0.8257 0.4242 0.4793 1.4902 0.3842 0.9993 0.4616 0.3984 1.0830 0.5290 0.7017 0.6160 1.3172 0.8237 1.3047 0.6714 1.1802 1.3180 1.2092 1.2283 1.2650 1.3989 0.6118 0.5390 1.6639 0.6689 2.0258 1.5762 1.3527 1.2537 1.4183 1.8515 0.6117 0.6078 0.5144 0.5157 1.4775 1.5257 1.2173 1.1413 1.0826 1.1469 1.2308 1.1365 1.0782 0.6743 0.7527 1.0841 0.8362 0.9768 1.2077 1.0757 1.0502 0.9518 1.0899 0.7887 0.7675 1.3241 0.8701 0.8765 1.5924 1.7036 1.6783 0.9181 0.4852 0.4027 0.6418 1.2056 0.6369 0.5095 0.6306 1.1161 0.8730 0.8391 0.9828 1.0007 0.5608 1.0678 0.7313 1.0985 0.5270 0.6805 1.1148 0.4969 0.8983 1.1692 0.7281 0.7194 0.8995 1.3491 0.8008 0.7056 1.2773 0.8234 0.6770 1.5530 1.0000 1.4767 0.7838 0.7981 0.8715 1.1606 1.5781 0.8127 1.6786 1.0491 0.9852 1.0197 1.0834 1.0223 0.9703 1.2842 1.1890 1.2872 1.0657 1.2293 1.2386 0.3752 0.3399 0.4568 0.9880 0.9123 0.5718 0.7222 1.4069 0.7706 0.5804 1.4347 0.4220 0.6838 0.4921 1.2708 0.4677 1.5959 0.8935 0.7037 1.3727 0.6645 0.6060 asparagine 1.1905 1.0749 0.5636 0.7143 0.5325 0.4729 1.2422 1.1952 0.5906 0.6823 0.7282 1.1963 1.3515 1.4944 1.3499 1.3278 1.3706 0.5608 0.4523 0.5764 0.9536 0.5695 1.0552 0.8165 0.9845 0.4692 0.4915 0.9779 1.0336 1.1510 0.6483 1.1022 0.6055 0.5646 0.7899 0.9918 1.0773 1.1328 0.9601 0.9121 1.0000 1.8061 1.6486 1.7582 1.5914 1.6723 1.4726 1.1698 0.5363 0.3963 0.5819 1.2097 0.5062 1.0044 0.6082 0.5276 1.0502 0.4769 0.5946 0.6563 1.3120 0.9354 1.1954 0.7954 1.0746 1.0721 1.0916 1.0014 0.9986 1.3746 0.8179 0.6064 1.6637 1.0159 1.7137 1.4915 1.3906 0.9597 1.2259 1.4294 0.7050 0.5364 0.5725 0.6768 1.3370 1.2814 1.1083 1.0199 1.0614 1.1808 1.0764 1.1292 1.1069 0.9640 0.9175 1.2293 0.9323 0.8852 1.0201 0.9835 0.8822 1.1170 0.9527 0.8984 0.8933 1.4691 1.1223 1.0273 1.4359 1.3512 1.3592 0.6370 0.4024 0.4948 0.8762 1.5174 0.8596 0.7258 0.8672 1.0881 1.0257 0.8652 0.8012 1.0358 0.5370 1.0148 0.5974 0.9723 0.5434 0.8055 1.0859 0.5428 0.7112 1.0757 0.8450 0.7589 0.7646 1.2434 1.0259 0.8212 1.2611 0.7585 0.6477 1.2371 0.7103 1.2267 0.7856 0.6863 0.8440 0.7761 1.2573 0.9974 1.2346 1.0651 1.0383 1.1208 1.1259 1.0504 1.0518 1.1352 1.0608 1.2277 1.1025 1.2339 1.2645 0.6165 0.5065 0.4860 1.2542 1.2818 0.8913 0.5839 1.3401 1.1593 0.7725 1.5142 0.4602 0.4707 0.4674 1.0080 0.4394 1.2478 1.0953 0.6872 1.3027 0.8068 0.7081 aspartate 0.8394 1.3051 1.3648 0.7906 0.5631 1.0566 1.3146 1.4986 3.2285 1.0275 2.0703 0.9945 0.9454 0.9190 0.9688 0.7247 0.7546 0.7164 1.6202 0.6135 0.7212 0.9519 1.1366 0.7403 0.9209 0.4773 0.7424 0.6247 1.4452 2.3653 2.6250 2.3169 0.5541 1.5549 1.0259 1.5990 2.0592 1.9689 1.0044 0.7083 1.5938 0.7234 0.8565 0.5415 0.7411 0.7851 0.9268 1.0456 3.1074 0.6066 0.8162 1.8714 0.6818 2.5397 1.0507 1.1192 2.6759 2.9669 0.8528 0.5811 0.7556 0.7000 0.7443 0.5466 1.1171 1.8606 2.2154 1.2970 1.5443 1.9849 1.2664 1.1365 2.5604 1.1235 2.0400 0.5117 0.4433 0.5022 0.7196 0.4294 0.8720 1.9043 0.8326 0.7938 1.2455 1.1548 0.8381 0.7749 0.9059 2.9037 0.9268 0.9203 1.2193 0.7238 0.7677 0.9422 1.7035 0.7660 1.4783 1.2229 1.1495 1.2967 1.1471 0.3978 0.3562 0.8001 0.3844 0.5830 0.6412 0.8990 1.0923 1.9479 0.7519 0.3998 0.9342 1.9107 0.4813 0.7573 0.5166 0.8050 1.0923 1.2301 0.5052 0.8669 0.7081 1.3911 1.5430 1.6876 0.9854 0.6527 0.9810 0.5884 1.3490 1.0146 0.6867 1.2654 1.9520 1.4540 1.3169 0.8852 1.2399 0.9325 1.0450 1.2224 1.9182 1.1445 0.7161 1.0998 0.9832 1.7983 1.8254 0.8923 1.4067 0.8260 0.9047 0.7874 0.8151 0.9149 0.9620 1.2489 1.3564 1.6116 1.6121 1.3883 1.1806 0.8952 0.4778 2.6153 1.5238 2.1320 0.8223 1.9448 1.3762 0.9272 1.1785 1.0977 0.6731 1.3325 0.7486 1.3248 0.5829 1.3860 1.0000 3.9754 2.5028 0.9662 1.0167 beta-alanine 1.1464 1.1437 0.9091 1.1773 0.9638 1.3680 1.1356 1.0648 0.8075 0.9335 1.1870 1.1573 1.1345 1.2909 0.9376 1.1021 1.2894 0.9740 0.8038 1.1641 1.1180 1.1914 1.2164 1.2561 0.7970 0.6822 0.4932 0.6578 0.8966 1.7975 0.9706 1.6485 0.9080 1.1508 1.2074 0.9342 1.2472 1.3624 0.8950 0.6533 1.2438 1.0366 1.3401 1.1792 1.3615 1.2531 0.9833 1.1376 0.9213 0.7001 0.8992 0.9039 0.6122 1.1985 0.9439 0.7981 1.0778 0.8045 0.8829 1.1874 1.2578 0.9230 0.4930 1.2013 1.3176 1.3551 1.5120 1.1185 1.5405 0.8961 0.6402 0.8535 0.8352 0.8630 0.9228 1.0504 1.0710 1.1453 0.8873 1.1945 0.6971 0.6441 0.8778 0.6553 1.0844 0.8863 1.3048 1.1850 1.2449 1.2895 1.4063 1.1903 1.3266 0.9593 0.8924 0.9036 1.0016 1.0455 0.7481 0.9804 0.8231 1.2277 0.8944 1.5733 1.5915 1.3320 1.5739 1.5173 1.3620 0.8073 1.1775 0.8443 0.6857 0.5704 0.7807 0.8252 0.8279 0.9301 0.9098 0.9919 1.0143 0.9276 0.7460 0.9708 0.7769 1.0367 0.6834 0.9776 0.8127 0.8615 0.9842 0.8872 0.8096 1.0000 0.6872 1.1341 1.0237 1.1354 0.9627 0.8154 0.8204 1.0381 1.2259 1.2568 0.9360 1.1942 1.0338 1.4434 1.1623 1.2355 1.6205 1.0052 1.7900 0.8921 0.9852 1.2615 1.3602 0.9145 1.1365 1.0970 0.8251 1.3285 1.2011 1.1895 1.0995 0.9868 0.9944 0.7720 1.1898 1.3413 0.8114 0.6256 2.0886 0.8583 1.1920 1.1153 0.7244 0.9267 0.7717 1.0557 1.0000 0.4930 0.6802 0.9554 0.8075 0.5490 0.7492 betaine 1.1982 1.3683 0.8870 1.0235 0.9696 0.9186 0.8028 1.0408 0.5312 0.6418 0.7922 0.8826 0.8817 1.0518 0.9524 0.9674 0.9609 0.9149 0.8086 0.9498 1.2695 0.9111 0.9998 1.1021 0.9652 0.8060 0.7759 0.9066 0.9814 1.0057 0.8555 0.9587 0.8783 1.0568 0.9262 1.0419 1.1105 0.9752 0.9546 0.8879 0.8671 1.0819 1.1963 0.9820 1.0548 0.9269 1.0272 1.0934 0.6412 0.7959 0.7925 0.9195 0.8269 1.6172 1.2602 1.1676 1.3615 1.0051 0.8814 0.9987 1.1609 1.0702 1.3360 1.0002 1.2081 1.0919 1.1598 1.1429 1.2109 1.0000 1.1065 0.8921 1.0637 1.0499 1.4866 1.1451 1.0258 1.0169 1.0377 1.2420 1.0869 0.9100 1.0586 1.0508 1.3400 1.5341 1.0259 0.8839 1.0984 1.1747 1.3636 1.0128 1.0478 0.8243 0.9172 0.9582 0.8775 0.9409 0.9192 0.8188 0.8327 0.8294 0.8691 1.0022 1.1268 1.2710 1.1290 1.0087 1.3890 0.7919 0.9746 0.6622 0.8066 0.5969 0.7817 1.1964 1.0225 0.9818 0.9216 1.1241 1.0278 1.0497 0.9018 0.8458 0.9981 1.2771 0.9240 1.1355 1.0153 1.3608 1.6689 1.3196 1.3362 1.5633 1.4337 0.8762 0.8534 1.1896 0.9055 0.8028 1.0063 1.1096 1.0967 1.5109 1.0021 1.2858 1.0283 0.7698 0.8048 0.8451 0.9648 0.8736 1.0449 1.0648 1.1866 0.9660 1.0462 1.0840 1.0373 0.9466 0.9522 0.9445 0.8146 0.9254 1.2246 0.6302 0.6080 0.5381 0.6774 0.9037 0.9515 0.8201 1.3404 1.0727 0.9072 1.1444 0.7813 0.7004 0.7490 1.0889 0.9173 1.2080 1.0405 0.8988 1.1510 0.8449 1.0136 butyrylcarnitine (C4) 1.5139 1.3376 1.1050 0.8240 0.6050 0.6389 1.3427 1.5080 1.0595 0.4741 0.6205 1.5388 1.6047 1.3370 1.1707 1.2938 1.6621 0.5894 0.9009 0.6922 1.0175 0.6924 1.2225 1.3827 1.1469 0.8008 1.0396 0.9683 1.3427 1.7789 1.4762 1.9414 1.1524 1.0601 0.9580 1.9119 2.3570 2.1261 2.3403 2.3550 1.9599 1.3587 1.3693 1.2066 1.2299 1.4458 1.7643 0.9751 0.5327 0.5218 0.5872 0.8469 0.2909 1.9875 0.8719 1.1226 1.6575 1.0410 2.2193 2.2995 3.4158 2.9981 3.8739 2.3907 1.3060 1.6238 1.2992 0.9911 0.9130 0.8735 0.6569 0.7639 1.1843 0.7462 1.0004 0.8780 1.0500 0.9458 1.0981 0.8171 0.6019 1.0310 0.7093 0.7692 1.5310 1.3964 1.1445 1.1316 1.0221 1.0123 1.1927 1.3030 0.8826 0.4521 0.8440 0.8920 0.6967 0.6242 0.6988 0.5564 0.5008 0.6295 0.5596 0.7770 0.8303 1.0742 0.9945 0.7886 0.8212 0.9681 1.7433 1.3868 0.9623 0.7128 0.8592 0.8069 0.3360 0.5254 0.6783 0.9385 0.8662 0.8058 0.7618 1.0089 0.8631 1.1994 1.1120 1.2818 0.8383 0.4693 0.8006 0.4966 0.8065 0.9395 0.7089 0.5496 0.7753 0.8804 0.5977 0.5673 0.9405 2.8798 2.5696 3.7473 2.7634 5.1694 2.6725 1.3871 1.6294 1.9964 3.3350 1.6757 2.3818 1.3935 1.5124 1.4501 1.6609 1.3472 1.7349 0.9548 1.0736 0.9586 1.2001 0.7425 0.9630 0.4676 0.4903 0.5548 0.8423 0.9568 0.8636 1.8223 2.6366 1.6936 1.1523 3.1834 0.5219 0.8247 0.6661 1.0000 0.5251 0.8428 0.6308 0.5597 0.8840 0.3598 0.4092 caffeine 2.7096 2.6102 1.4835 0.6484 1.3407 2.9562 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.7277 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 1.9705 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.5866 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.6593 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 1.5076 0.1791 0.1791 0.1791 0.2972 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.2239 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.6970 0.1791 1.0000 0.1791 7.9066 0.1791 0.1791 0.1791 0.1791 1.2456 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.1791 0.4823 0.1791 0.1791 0.1791 0.1791 0.1791 carboxyethyl-GABA 0.6098 0.7398 1.2512 0.3556 0.3556 0.6499 0.3556 1.1224 1.1750 1.4539 0.3556 0.9441 1.3919 0.3556 0.3556 0.6127 0.3556 0.8938 0.3556 0.3556 0.3556 0.9668 0.3556 0.3556 0.3556 0.3556 1.8203 0.9289 1.4371 0.7584 0.6960 0.3556 0.3556 0.3556 0.3556 0.7691 1.0214 0.3556 0.3556 0.3556 0.3556 0.9645 1.2670 1.0091 1.3641 1.0672 1.1233 0.3556 0.4486 1.2586 0.7182 0.3556 0.9502 0.9759 0.3556 1.1462 1.5270 0.3556 1.3993 1.5477 1.3319 0.3556 0.8083 0.6260 0.3556 1.0930 0.7060 0.7079 0.3556 0.3556 0.3556 0.3556 0.3556 0.3556 1.1619 0.5637 1.2483 1.2989 1.2214 0.3556 1.2783 0.9584 0.5225 1.6555 0.8014 0.3556 0.9721 0.7797 0.3556 0.3556 0.3556 1.4810 0.3556 0.3556 1.1330 1.2090 0.3556 0.8409 1.0149 1.1899 0.5615 0.9953 0.3556 0.3556 0.6323 1.2976 1.3489 0.8871 0.5241 1.3919 0.3556 1.4440 0.4963 1.5189 1.2419 0.8722 0.5911 0.8010 0.3556 1.0502 0.3556 0.3556 0.3556 0.9120 0.3556 0.8610 0.3556 0.3556 0.3556 1.6517 1.4552 0.3556 0.3556 1.0103 0.3556 0.6500 0.9909 0.3556 0.8373 0.4054 0.7877 0.5632 1.3277 0.3556 0.7895 1.1864 1.0220 0.3556 1.1418 1.4614 1.0098 0.9388 1.0320 0.8623 1.0809 0.5744 1.0255 0.6793 0.6240 0.3556 1.3048 1.3709 1.1589 0.3556 1.0000 0.6722 0.3556 0.3556 0.7187 1.3958 0.3556 1.1583 0.6838 0.3556 1.0472 1.0508 0.3556 0.3723 0.6296 1.2381 0.6825 0.9221 1.0329 0.6780 1.1395 0.3556 0.4203 carnitine 1.4840 1.4764 1.3646 0.9372 0.9650 1.0522 0.9187 1.0000 0.9242 0.6317 0.8162 1.1411 1.0537 0.9636 1.1263 1.1379 1.0365 0.6783 0.8993 0.7712 1.0896 0.7329 0.9777 1.0115 0.9341 0.7243 0.9901 0.9129 1.0859 1.0784 1.0505 1.1712 0.8041 1.0076 0.8102 0.9263 1.0556 0.9991 1.0255 0.9771 1.0407 1.2502 1.0932 1.0042 1.1105 1.1100 1.0594 1.0095 0.9161 0.6477 0.6406 0.9797 0.5431 1.2359 0.7450 0.9027 1.2210 0.9160 1.1853 0.9924 1.2092 1.1858 1.3419 0.9913 1.2449 1.2124 1.0951 1.2661 1.0682 1.0729 0.6678 0.7611 1.0606 0.6710 1.0881 1.4138 1.3588 1.2422 1.3051 1.3961 0.8159 1.1723 0.9945 0.7803 1.4235 1.2759 1.0771 1.0199 1.0211 0.9578 0.8955 0.8907 1.0592 0.8353 0.8414 1.0987 0.9659 0.7507 0.9230 0.9211 0.8106 0.9255 0.9263 0.8523 0.9037 1.1225 0.8556 1.0188 1.1969 1.1255 1.2050 1.1371 0.8205 0.7294 0.8705 1.1614 0.7319 0.8375 0.7510 1.0362 1.0216 0.9732 0.9203 1.0199 0.6775 0.9475 0.9915 1.0574 0.8098 0.8068 1.0689 0.7937 1.0392 1.0908 0.8461 0.7385 0.9280 1.0428 0.6746 0.7070 0.8892 0.8881 0.8382 1.2649 1.1502 1.2654 0.9173 0.7719 0.7737 0.9950 1.0575 0.7968 1.0093 1.2672 1.1095 1.2432 1.2230 1.1355 1.2473 1.1114 1.0595 1.0928 1.0642 1.0078 1.1624 0.6015 0.5078 0.7198 0.8261 0.9102 0.9115 1.2955 1.4529 1.0908 1.0167 1.3419 0.7224 1.1540 0.7516 1.2757 0.7911 1.0391 0.7218 0.9669 0.9304 0.6404 0.7413 choline 0.7917 1.0062 0.6438 0.8095 0.8901 0.8591 1.1313 1.4492 0.8888 0.9410 1.1511 0.9066 0.8644 1.1170 0.9646 0.9965 0.9766 0.6809 0.9460 0.8130 1.0900 0.8253 1.0629 0.8606 0.8968 0.7896 0.7834 0.8869 0.8964 1.2684 1.1401 1.2631 1.1844 1.2896 1.1641 1.3864 1.2617 1.3635 1.0962 1.1885 1.0404 1.1827 1.2393 0.9811 1.1660 1.2716 1.1281 1.0287 0.6434 0.7502 0.6068 0.7639 0.6561 1.1343 0.9234 0.9111 1.1474 0.8523 0.6550 0.9530 0.8228 0.8938 1.0220 0.7747 0.8926 0.8951 0.8889 0.8866 0.8871 0.7479 1.2389 0.9542 0.9484 1.1784 1.4257 0.9929 0.9075 1.1414 0.9638 0.9953 1.0029 0.8496 1.0862 0.9219 1.1826 1.2056 1.3421 1.2294 1.6170 1.5465 1.5892 1.5968 1.2366 0.8994 0.9890 1.1551 1.0877 1.3945 1.1404 1.0130 1.2721 1.0717 1.2417 0.8368 1.1707 1.0124 0.8517 1.0043 0.9815 1.0000 0.8224 0.7524 0.8258 0.5731 0.6476 1.1374 0.9224 1.0571 1.0267 0.8516 0.9479 0.9872 1.0676 0.8127 0.9009 1.1021 0.9383 0.9346 1.0540 1.3676 1.4480 1.4080 1.2411 1.3779 1.3702 0.9586 1.1024 1.1439 1.0362 0.9824 1.1529 0.5914 0.7476 0.8808 0.6590 0.9680 0.6752 0.9647 1.1112 1.0118 1.1847 1.0069 1.2164 0.9715 1.0110 0.8344 0.9184 1.0956 0.9059 1.0316 1.0802 0.9375 0.9366 0.9593 1.3077 0.8708 0.7786 0.9271 1.0614 1.1096 1.0821 0.8631 1.4236 1.1840 0.9855 1.3186 0.8788 1.0069 0.8380 1.1550 1.0709 1.4387 0.9324 1.1454 1.2933 0.8422 1.0306 phosphocholine 0.9970 0.7076 0.8399 1.1085 1.0242 1.3457 1.5053 1.2926 1.6590 1.7835 1.8708 0.9604 1.1566 0.6417 1.2369 0.8002 1.0753 1.7697 2.1706 1.8120 0.8548 2.2399 2.6380 0.4299 0.6082 0.7741 0.5792 0.7742 0.6894 1.0940 1.3869 1.4829 0.5710 1.0911 1.0123 1.2035 1.3229 1.4235 0.6329 0.2666 0.6690 0.9313 0.8227 0.7273 0.7615 0.7421 0.5987 0.8024 1.0711 0.7758 0.7974 0.8984 0.9147 1.5435 1.3886 1.5308 1.4503 1.7512 0.9660 1.2208 1.1836 1.0241 1.3935 1.0515 0.8647 1.0277 1.3029 0.6812 1.0064 0.4182 0.5298 0.7689 0.7077 0.7673 0.5104 0.7032 0.6820 0.4046 0.4915 0.3843 1.0000 1.1650 1.1065 1.1345 0.7407 0.7066 1.0809 0.9069 1.1561 1.1850 0.9314 1.1238 1.3646 1.1825 0.6045 1.1700 1.5938 0.4991 0.6539 0.5691 0.6012 0.7733 0.5229 1.3047 1.0171 0.9298 1.0945 1.3100 1.0720 0.9939 0.8564 1.1550 0.5154 0.4664 1.0149 0.7406 0.7441 1.0084 0.6403 0.4518 0.6968 0.6326 0.3012 0.5640 0.2061 0.8568 0.7439 0.8995 0.7062 0.9633 0.9456 0.8647 1.0299 0.8104 0.8214 1.0882 1.1841 1.0580 1.3690 1.0398 0.9925 0.6838 1.1322 0.5959 1.0833 0.9284 0.9244 1.4183 1.2814 1.4048 1.7116 1.1177 1.2158 0.7195 1.0011 1.0397 0.7960 0.8160 1.0160 1.1358 1.0927 1.4329 1.4340 1.1366 1.1118 0.9330 0.6809 1.0862 0.8927 0.9989 1.0636 0.7432 1.0130 1.0009 1.3275 0.8827 1.4464 1.3222 1.2230 1.3904 1.0022 0.9846 0.8704 1.4298 1.2615 0.7948 1.0455 citrulline 1.2004 1.3085 0.7989 0.6364 0.7776 0.9833 1.1689 1.1816 0.5638 0.5479 0.7094 1.1296 1.3330 1.2627 1.1733 1.3664 1.2806 0.4356 0.5307 0.6151 0.9669 0.4761 0.8846 0.9459 0.9151 0.7864 0.6324 0.9308 1.0292 1.0832 0.7408 1.0430 0.6126 0.8062 0.7060 0.9233 1.1795 1.0539 1.0559 1.0087 0.8456 1.6409 1.6331 1.5597 1.4495 1.7198 1.3785 1.1168 0.6373 0.5142 0.5431 1.1843 0.4553 1.2094 0.4484 0.6882 1.0847 0.5760 0.8018 0.9508 1.1514 1.0846 1.1763 0.7391 1.0002 0.8496 0.9556 1.0045 0.9715 1.2348 0.7146 0.7118 1.4060 0.7467 1.4627 1.2192 1.3424 1.1691 1.2948 1.2361 0.5032 0.6647 0.8543 0.5489 1.1365 1.2711 1.4193 1.3577 1.3498 1.1724 1.2773 1.4429 1.0042 0.7840 0.7423 0.9978 0.7777 1.0414 1.2983 1.1204 1.1404 1.3663 1.1932 0.6817 0.8500 1.3966 0.7100 0.7980 1.3868 1.4623 1.5037 0.8548 0.7339 0.7492 0.8990 1.0143 0.5278 0.5604 0.4873 1.2728 1.2559 1.2468 0.9812 1.2218 0.4166 0.9642 0.6107 1.0374 0.6921 0.8461 1.2878 0.8575 0.8826 1.3414 0.8623 0.8799 0.6904 1.1487 1.0690 0.7466 1.1915 0.6571 0.7877 1.0016 0.6808 1.0743 0.7797 1.0498 1.0466 0.9836 1.5002 1.0529 1.2415 1.1036 1.1283 1.0405 1.0735 1.0552 1.1073 1.5237 1.1896 1.1944 1.3124 1.2859 1.3216 0.6301 0.4531 0.5597 0.9572 0.9998 0.7314 0.7036 1.2591 1.0000 0.8255 1.2667 0.3490 0.5713 0.3354 0.9867 0.4937 1.4851 0.9665 0.8286 1.4898 0.6523 0.7802 cotinine 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.1295 0.9464 0.8013 2.5801 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.5271 2.7127 1.4729 0.2379 3.7809 13.7251 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 2.8310 1.0000 1.1613 0.4442 0.9074 5.0267 1.4093 2.6163 2.7207 0.5415 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.2197 0.0672 0.4345 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 0.0672 creatine 1.2885 1.2681 1.4599 0.4433 0.8181 0.9078 1.7208 1.4709 1.7426 0.8441 1.4040 0.6406 0.5964 0.6069 0.5320 0.5779 0.5524 0.7108 1.9406 1.4616 1.8788 0.9334 2.3409 1.4268 1.1072 1.3315 1.4688 0.9828 1.7583 0.5945 0.7275 0.7578 0.7220 0.8092 0.5287 1.3483 1.1054 1.1300 1.0101 1.0369 1.0705 1.6869 1.5840 1.6082 1.6656 1.7054 1.9884 2.0152 1.8928 1.5856 1.0000 2.0122 0.7029 1.4763 0.6225 1.1356 1.6659 1.2233 0.8907 0.6428 0.7218 0.5304 0.7329 0.4997 0.8079 0.8635 0.9248 1.0550 0.8775 1.1214 0.7454 0.9820 1.2795 0.7279 0.9677 1.4700 1.6514 1.6552 1.8409 1.3523 0.9070 1.4814 1.3736 0.7679 1.6444 1.4298 1.0359 1.0552 0.9972 1.4428 0.9646 1.1701 1.5217 1.0209 1.1964 1.6772 1.5207 1.0528 1.0772 0.9646 1.1212 1.0101 1.1241 0.4558 0.4661 0.6368 0.3466 0.5028 0.5520 1.2079 0.9017 1.2841 0.7966 0.5319 0.6234 1.2168 0.5051 0.8779 0.5497 1.0088 0.9891 1.1402 1.0028 1.0339 0.4099 0.7047 0.7224 0.8926 0.6012 1.0039 1.1913 1.2467 1.5346 1.4092 0.8564 0.9113 0.9715 1.1891 0.7994 0.7623 1.1828 0.4064 0.7962 0.6348 0.7942 0.7790 0.5940 0.9742 0.8984 1.0801 1.2350 0.6716 0.9951 0.8123 0.9508 0.9069 0.8579 0.9415 0.9761 0.9328 1.1641 1.2381 1.4479 1.3765 1.3015 0.5066 0.3771 0.8224 0.8195 0.6964 0.8975 1.6582 1.8573 0.9139 1.2855 1.8164 0.6915 1.2269 0.8616 1.2327 0.9494 1.4774 0.7306 2.0870 1.5944 0.6953 1.0716 creatinine 1.1763 1.1526 1.1080 1.0458 0.9988 1.1738 1.0032 0.9454 0.8823 0.8290 1.0192 1.4448 1.2370 1.3605 1.2109 1.3750 1.4642 0.9026 0.8738 0.9054 1.0197 1.0009 0.9483 0.7288 0.6794 0.7008 0.6935 0.6679 0.7276 1.1771 1.0109 1.0438 1.0149 0.9079 0.9565 0.9706 0.9608 1.0758 1.0222 1.0011 0.9269 1.4654 1.1400 1.3931 1.1267 1.3193 1.2985 0.8522 0.9463 0.8012 0.8574 0.8983 0.8527 0.8347 0.8209 0.7699 0.9628 0.8480 0.9912 1.1621 1.0886 1.2155 1.1909 1.0284 0.9312 0.9991 0.9117 0.9709 0.9041 0.8299 0.8781 0.6913 0.8161 0.8329 0.9009 1.0571 1.1229 0.9599 1.1812 1.2565 0.8258 0.8496 0.8670 0.7629 0.9014 0.8614 1.4318 1.2525 1.3488 1.3248 1.2863 1.4137 0.8560 0.8226 0.8763 0.8983 0.8621 0.9351 1.0358 0.9914 0.9952 0.9809 0.9903 1.2366 1.3299 1.3908 1.3452 1.2694 1.3754 1.1788 1.1866 1.2047 1.1184 1.1258 1.1229 0.8813 0.8088 0.8597 0.9346 1.2010 1.0409 1.1538 0.9706 1.0272 0.8094 0.7885 0.7770 0.7513 0.8020 1.1281 1.2738 1.0013 1.1405 1.1624 1.2182 0.7755 0.9506 0.8986 0.9313 0.7908 0.9640 1.1042 1.0495 1.1258 1.0605 1.1200 0.9886 0.9607 0.9688 1.0151 1.1201 0.9236 1.0994 1.2579 1.1073 1.1822 1.1052 1.1229 1.2194 1.0256 1.1143 1.1340 0.9694 1.1225 1.0446 1.0130 0.8932 0.9119 1.0926 1.0295 0.8089 0.9477 1.0398 0.9618 0.9310 1.1411 0.9286 1.0000 1.0618 1.0433 1.0130 0.9187 0.9147 0.7772 0.7942 0.7616 0.7481 cys-gly, oxidized 0.9377 0.8091 0.5877 1.2781 0.8128 1.0033 0.9723 0.7730 0.7116 0.9328 1.0581 1.0227 1.5322 1.6533 1.9815 2.1737 1.8081 1.2330 0.7045 0.9752 0.6867 1.0668 1.0922 0.6183 0.6398 0.7666 0.5761 0.9185 1.7389 1.8720 1.6101 1.7855 1.5409 1.7434 2.2888 1.2640 1.1794 1.4994 0.9343 0.8722 1.0463 0.9696 1.1042 1.0694 1.0309 1.0348 0.8195 1.0836 0.7663 0.7098 0.7261 0.4289 0.8422 0.7102 0.8968 0.8665 0.7934 0.6251 0.8276 1.4977 1.3617 0.9501 1.2812 1.0886 1.0000 1.0900 1.0461 0.9232 1.1517 0.4289 0.5322 0.5047 0.4423 0.5736 0.6028 0.7102 0.6711 0.5959 0.5649 0.8218 1.1329 1.8953 1.5873 1.7305 1.7806 1.8699 1.1039 1.0002 1.9951 2.9781 1.6453 1.7173 0.8397 0.7063 0.6703 0.9487 1.0116 0.4289 0.5839 0.8303 0.6688 0.8601 0.9114 0.9952 1.1210 0.6241 1.1993 0.8563 0.7778 0.9352 0.8782 0.6335 0.9192 1.0153 0.8055 2.7073 1.4988 1.0103 1.5217 0.4620 0.5819 0.8250 0.4813 0.5622 1.1246 0.8337 0.9877 0.7378 1.0260 1.4293 1.2057 0.9818 0.8698 0.9247 1.3621 0.9925 0.9967 0.9384 1.0777 0.9584 1.0045 1.1440 1.1264 0.9707 0.7883 1.1199 1.1577 1.4935 1.4110 0.8034 1.8667 1.4726 1.1325 0.9926 1.0303 1.0076 1.0366 0.8654 1.2267 0.9429 1.0800 1.0949 1.1163 1.0928 1.6727 1.1588 1.2120 0.7710 1.0642 0.8124 0.8698 0.6373 0.9554 0.8434 0.7622 0.9837 1.2156 0.7348 1.1343 1.0567 1.3146 0.9857 1.7944 2.1719 1.1922 2.4363 2.0751 cystathionine 0.9650 0.6924 0.8628 0.3806 0.6438 0.3806 0.9676 0.8504 1.0166 0.6976 1.0724 1.0446 1.6331 1.6425 0.3806 1.4567 1.6767 0.4086 0.3806 0.4979 0.5942 0.3806 0.3806 0.3806 0.3806 0.3806 0.3806 0.3806 0.8486 1.6915 1.9937 1.4944 0.3806 0.3806 0.3806 0.8162 1.2702 0.3806 1.0919 0.3806 0.9963 0.9506 1.0000 1.1478 0.7405 0.4957 0.5314 2.0117 1.3563 0.7770 0.8857 1.5318 0.9591 0.8470 0.3806 0.6549 0.3806 0.3806 0.9030 0.5031 0.3806 0.3806 1.2630 0.3806 0.6872 0.6092 0.7128 0.3806 0.3806 0.3806 1.0523 0.8505 1.0957 1.1127 0.9239 0.3806 0.8616 0.3806 0.9293 0.9118 0.7358 0.6093 1.4616 0.9606 1.6831 1.5410 1.0515 1.3953 1.6753 1.0644 1.3069 1.2058 0.3806 0.3806 0.3806 0.5228 0.3806 1.8290 1.7732 1.3931 0.3806 1.0000 1.9417 1.1432 0.5365 0.5506 0.6210 0.5035 0.7927 1.3208 1.1262 1.2278 0.7049 0.5338 0.3806 0.9338 0.3806 0.3806 0.3806 0.3806 1.9015 0.9649 0.3806 1.2844 0.3806 0.3806 0.6024 0.3806 0.3806 0.7188 0.3806 0.3806 0.3806 0.3806 0.5830 0.3806 0.9713 0.8867 0.6518 0.3806 1.4134 0.3806 0.7634 1.4401 1.2470 1.4940 0.3806 1.0933 1.2662 1.3919 1.8205 0.3806 1.7607 0.3806 1.7771 1.2306 1.5742 0.8371 0.9455 0.3806 0.3806 1.2209 0.3806 0.6109 0.7631 0.3806 0.3806 0.3806 0.5057 1.1119 0.3806 0.3806 1.2916 0.3806 0.3806 1.0675 1.0617 1.1225 1.1117 0.7539 0.3806 1.2091 0.8019 1.4932 0.3806 0.3806 0.3806 cysteine 1.0185 1.2035 1.1334 0.8346 0.6327 1.0344 1.0068 0.9725 1.0359 0.9865 0.9609 1.5100 1.4929 1.8305 1.5068 1.5626 1.4613 0.4214 0.8115 0.6545 1.0108 0.6182 0.8580 0.8227 0.9004 0.7925 1.0182 0.8148 0.7113 1.3972 1.2455 1.3728 0.9180 0.8675 0.8713 1.0962 0.9742 0.8990 1.1928 2.2072 1.3108 0.8491 0.7883 0.7204 0.6720 0.8789 0.7917 1.2133 1.0936 0.8680 0.8393 1.1437 0.7320 0.7717 0.6246 0.5488 0.8453 0.7971 0.9938 0.9615 1.0372 0.9728 1.1715 0.8681 1.3299 1.6571 1.3759 1.3613 1.2367 0.8724 0.9172 1.0790 0.8257 0.8235 0.8831 1.1959 1.3206 2.0702 1.1811 1.0751 0.8497 0.9859 0.6328 0.7691 0.8713 0.7301 0.9547 0.9079 0.8921 0.7099 1.0977 1.2261 1.0845 0.9815 1.2362 1.1912 1.3115 1.1416 1.1294 1.0204 1.2449 1.0121 1.2274 0.8804 0.8828 1.0622 0.8344 0.9849 0.9531 1.5821 1.1010 1.1575 0.9474 1.5424 0.9629 1.0159 1.2047 1.0375 0.8239 0.8119 0.9515 0.6524 1.0007 0.8519 0.7752 1.0638 0.9594 1.1532 0.7122 1.1147 0.9420 0.9004 1.1560 1.0442 0.9738 0.7274 0.9443 1.0762 0.6966 1.0750 0.6834 1.0145 0.9884 1.3644 1.0572 1.1433 1.1322 1.6238 1.2308 1.5237 1.3349 0.9904 1.2463 0.8877 1.0171 1.2159 1.1299 0.9993 1.0182 1.5068 1.3536 1.5552 1.3380 1.3024 0.9518 0.9314 0.6363 1.0715 1.2678 1.0921 1.0000 0.8982 0.9170 0.9365 1.2359 0.9685 1.1449 1.1878 1.3012 1.2661 1.0598 0.7220 0.9406 0.6988 0.7370 0.8095 0.7136 cysteine s-sulfate 1.2685 1.5553 0.7668 1.0669 1.2435 0.5598 1.4630 1.8709 1.2944 1.0000 1.0423 0.9654 0.8509 1.2474 0.8361 0.9294 1.0671 1.0069 0.9548 0.5226 1.6143 0.6689 1.8402 1.2265 1.0866 0.8934 0.9229 1.0188 0.9594 1.2818 0.9931 1.2222 0.6616 0.8171 1.1359 1.6403 1.2699 1.3538 0.8591 0.8021 1.4633 1.5745 1.4389 2.1237 2.0378 2.1275 1.4905 0.8253 0.8558 0.6493 0.8079 1.0532 0.8251 1.3841 0.9790 1.0977 1.1789 1.1401 1.1439 0.8024 1.4412 0.5699 0.9488 0.8456 0.8728 0.6177 1.4613 0.9190 0.7441 0.9798 0.6944 0.4819 1.1277 0.7681 1.5074 1.1995 1.1663 0.3261 1.4919 1.9184 1.2899 1.4387 0.7785 0.8828 2.0638 1.9557 0.7812 1.1653 1.2770 1.0304 1.7917 1.4559 1.2513 0.6297 0.8821 1.2836 0.6078 1.1951 0.9846 0.9265 0.8705 1.3478 1.1474 0.6521 0.7822 1.1752 0.6590 1.3617 1.6124 0.9028 0.8169 0.7787 0.7848 0.8083 0.5111 1.0117 0.2967 0.9507 0.6374 1.4663 0.8963 1.4866 0.8710 1.4089 2.6912 1.0144 1.0592 1.0447 1.3110 1.2066 1.0720 0.6253 0.9463 1.6841 0.7933 0.9788 0.8754 1.1870 0.8161 0.7894 1.2663 0.4580 0.6873 1.0183 0.7193 1.2829 0.5310 0.4546 0.3674 0.5744 1.3845 1.0456 1.1645 0.9510 1.0169 0.7419 0.8370 0.7139 1.1300 1.1558 0.9204 0.5539 1.0340 0.7403 0.9222 0.4536 0.7955 0.7017 1.0111 0.8736 1.4267 1.0667 1.7881 0.9242 0.9507 1.0552 0.3902 0.4602 0.3903 0.6544 0.3789 1.5246 1.2672 1.0655 2.1161 0.8894 1.0761 cysteine sulfinic acid 1.6092 1.4145 0.8571 0.8648 0.5915 0.6529 1.5017 1.3002 0.8335 0.5271 0.4958 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.9813 0.3932 0.3932 0.3932 0.3932 0.3932 0.5767 1.3006 1.0807 1.0049 0.6890 0.3932 1.0955 1.4545 1.0569 0.3932 0.5884 1.5130 0.9956 0.3932 1.0044 0.3932 0.6925 0.3932 0.3932 0.8015 0.3932 0.3932 1.2891 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.9837 0.3932 0.3932 0.9828 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 1.1195 0.8584 0.3932 1.1256 1.5035 0.3932 1.1486 0.9627 0.8383 1.3050 1.9322 1.0229 0.8518 1.0877 2.7835 1.4977 0.9533 0.3932 0.3932 0.3932 1.0000 0.3932 0.3932 0.3932 1.0000 0.3932 1.4935 0.3932 0.3932 0.4433 1.0392 0.3932 0.7554 1.0659 0.8347 1.4418 1.3075 0.3932 0.3932 0.8657 1.5201 0.3932 0.9205 0.3932 0.6439 0.3932 0.3932 0.3932 0.3932 0.3932 0.9001 1.1632 0.9402 0.3932 0.3932 1.1771 0.3932 1.6418 0.9523 0.3932 0.3932 0.3969 0.3932 0.8057 0.3932 0.4371 0.3932 0.3932 0.3932 0.4536 0.3932 0.3932 0.3932 0.9582 0.8259 1.2646 0.3932 1.2804 0.5014 1.1978 0.3932 0.9292 0.3932 0.7489 1.2544 1.5235 1.2027 0.3932 1.1583 2.1236 0.3932 0.3932 0.8340 0.3932 1.2576 0.3932 0.3932 1.5216 0.7656 0.7404 0.3932 0.3932 0.7108 0.3932 0.8305 0.3932 1.5661 1.6286 2.4870 1.4696 0.3932 0.3932 cysteine-glutathione disulfide 0.7918 0.8422 0.5326 0.6607 0.1058 0.3173 1.2236 1.3792 1.4132 0.8807 1.0008 1.6370 1.6184 1.6272 1.8474 1.7169 2.0161 0.9638 1.7437 1.3190 1.2448 1.6064 2.9147 0.7526 1.0093 0.5835 0.7628 0.9976 6.3926 1.2520 0.9031 1.2287 0.1058 0.3305 0.6916 0.8305 1.0238 1.2628 0.2521 0.4690 1.0201 1.2861 1.2382 1.3027 1.1925 1.2036 1.0692 0.8966 0.9216 0.3382 0.4649 1.1640 0.6119 1.8862 1.3482 1.3531 2.2796 1.9917 0.2002 0.2199 0.4644 0.2251 0.5811 0.1530 1.7549 2.1777 2.1788 1.5352 1.7701 1.3510 1.1895 1.0270 1.7874 0.9757 2.1065 0.8451 0.8394 0.8505 0.5947 1.0010 0.8714 1.1236 0.6593 0.6098 1.6406 1.5892 0.8298 0.8883 1.5445 10.5042 0.9736 0.8437 1.0538 0.6125 0.4442 0.8469 0.9817 0.5863 1.0832 1.0962 0.8651 1.1251 0.6324 1.1693 1.2797 1.5060 1.2930 1.7966 1.5772 1.1843 1.0530 0.9992 0.9040 0.3897 0.8193 10.8461 0.3984 0.6730 0.5535 1.2131 1.3207 3.3726 0.8938 1.1941 0.9056 1.0734 1.0288 1.0024 0.7212 0.6496 0.8514 0.3614 0.7193 0.7429 0.5293 0.8652 1.4083 1.4306 1.3553 0.8171 1.5116 0.5707 0.7823 0.8419 0.9302 0.9243 0.7417 0.5148 0.3842 0.6793 1.2988 0.3172 1.0703 1.0745 0.8051 0.9156 0.9366 0.9856 0.8931 1.2826 1.2552 1.4428 1.3581 1.4993 3.4539 0.7314 0.3526 1.0323 1.2276 1.2198 0.5430 0.7797 1.1703 0.8475 0.8348 0.8735 0.7780 1.0335 0.6237 1.3796 0.6997 1.1998 1.0461 14.8544 1.5459 0.9423 0.8082 cysteinylglycine 1.3227 1.1815 1.0185 1.1516 0.6518 1.3637 1.3011 0.9013 1.1961 1.3670 1.6305 1.8198 1.9445 2.1218 1.6957 2.0933 1.9723 0.5379 0.8937 1.1300 0.8317 1.0679 0.9264 0.4158 0.6439 0.7127 0.7609 0.9196 0.6040 2.0783 1.9420 2.0506 1.4586 1.7530 1.8456 1.2768 1.1032 1.1584 0.9904 2.0592 1.3706 0.7757 0.7842 0.8476 0.6725 0.8927 0.6661 0.9036 1.1714 1.0455 0.8171 0.8139 0.9132 0.6133 1.0475 0.4992 0.6548 0.9885 1.0693 1.7262 1.2653 1.1673 1.0247 1.2517 1.4407 1.3626 1.2167 1.0066 1.2248 0.5028 0.7000 0.8812 0.5465 0.5271 0.4857 0.6773 0.7684 0.9438 0.7134 0.6852 1.0911 0.9618 0.6360 0.9462 0.7152 0.5490 0.8791 0.9138 1.3292 0.8827 0.5867 1.3541 1.1251 0.8084 1.2086 1.0975 0.8969 0.7681 0.7918 0.9359 0.8727 0.7769 0.8192 1.0360 1.3898 0.6590 1.0000 0.9410 0.6079 1.3354 0.8079 0.8708 0.9436 1.6895 0.9520 1.3737 1.1833 1.0663 1.0543 0.5606 0.9060 0.6142 0.5614 0.7478 0.9713 1.0166 1.0034 0.8902 1.0483 1.5362 0.6982 0.7019 0.8347 0.9659 1.1450 0.7809 1.0751 1.0244 0.7473 1.3741 0.6507 1.2697 1.7407 1.5360 0.9605 1.4035 1.4180 2.1970 1.2429 1.0782 0.9445 1.0595 1.0300 0.6703 1.1883 0.9966 1.3091 0.8750 1.0521 1.5229 1.4573 1.2633 1.5315 1.3523 0.9693 1.4839 0.9186 1.2008 1.2651 1.0826 0.8261 0.6512 0.6678 0.7504 0.9783 0.8419 2.4106 1.4991 2.2154 1.5647 1.8744 0.7792 0.9416 0.9129 0.8161 1.0402 1.1408 cysteinylglycine disulfide* 1.0388 1.0163 0.8385 0.9613 0.7296 0.7770 1.0759 1.0226 0.9906 0.7786 0.8063 1.0728 1.0069 1.2098 0.9991 1.0000 1.2236 0.7728 0.8661 0.7098 0.7632 0.8423 1.1499 0.8464 0.9087 0.7702 0.9006 0.8902 1.5013 1.3769 1.2408 1.4295 0.9836 1.0161 1.3245 1.1207 1.1422 1.3857 0.9902 0.7958 1.2455 1.0868 1.1452 1.1125 1.1242 1.0618 1.1072 0.7759 0.9496 0.5416 0.6684 0.7904 0.6410 0.9569 0.8614 0.7898 1.0773 0.8124 0.8356 0.9339 1.0654 0.9375 1.0164 0.8205 0.9829 1.1357 1.2571 1.0334 1.0341 0.7280 0.7036 0.5600 0.7748 0.7390 1.0392 1.0816 0.9567 0.7943 0.8565 1.1820 0.9225 1.0510 0.9885 0.8873 1.3898 1.3802 1.0790 1.1004 1.5676 2.1235 1.3695 1.3436 1.0144 0.7003 0.7678 1.0595 1.0258 0.9823 0.9466 0.9573 0.9825 1.0245 0.9518 0.7994 0.9254 0.8694 1.0086 0.9504 0.9681 1.0328 1.2335 1.0675 0.9876 0.8248 0.9065 1.4705 0.8552 0.8764 0.9830 0.7634 0.7244 0.9211 0.6335 0.7358 1.0495 1.0723 1.0808 0.9821 0.9168 1.1089 1.1961 0.7828 1.1908 0.9924 0.9158 0.8504 1.0409 1.1253 1.0569 0.8507 1.1974 0.9383 0.8635 1.0764 0.9922 1.0936 1.0711 1.0931 0.9979 1.1297 1.3187 1.0042 1.2087 1.0997 1.0076 1.0769 1.1667 0.9771 1.0707 1.2085 1.1810 1.2032 1.2075 1.3349 1.5363 0.8335 0.7717 0.8292 1.0206 0.9900 0.8830 1.0704 1.3845 0.9615 0.9105 1.2235 0.8119 0.7595 0.7962 1.0205 0.7126 1.1768 1.2388 1.6660 1.3416 1.1487 1.1451 cystine 1.0340 1.4880 0.9238 0.6948 0.5716 0.5010 1.0124 1.3656 1.1750 0.4153 0.4337 1.4335 0.7990 1.6660 1.0723 0.9218 0.9864 0.4254 0.8077 0.5480 0.8634 0.4784 0.7277 1.1485 1.1685 0.5147 1.2137 0.6999 0.9537 1.1944 0.9788 0.8992 0.6341 0.6209 0.6032 0.9748 0.9648 1.0588 0.9569 0.9059 1.7497 1.1956 1.1207 1.2041 1.0000 1.1667 1.4565 0.7922 1.0874 0.3809 0.6602 1.3212 0.5163 1.1000 0.5244 0.4904 1.5204 0.9066 0.7196 0.5033 0.7811 0.7197 0.7027 0.5256 0.9482 1.3456 1.2972 1.0050 0.8212 1.5423 1.0465 0.4900 1.3658 0.5636 2.2475 1.7184 1.1210 0.8306 1.2968 2.6686 0.9136 1.1573 0.7162 0.6131 2.4454 1.6095 1.0673 1.3884 1.3351 1.4888 1.7660 1.1930 1.0621 0.6163 1.2813 0.9950 0.7170 1.6952 1.5595 2.0045 1.5489 1.1953 1.5505 0.5189 0.7552 1.2415 0.5873 0.8208 1.2280 0.9129 2.3427 1.2919 0.9796 0.4389 0.7896 1.0543 0.4125 0.6772 0.8101 1.2491 0.9260 1.0074 0.7384 0.9667 0.8301 1.1711 1.0683 1.1109 0.8079 0.6531 0.9760 0.7202 1.1707 1.1433 0.7137 0.8977 1.5758 1.0436 0.7910 0.5576 1.1963 0.7883 0.5434 1.8626 1.0088 0.8985 0.6756 0.8049 0.8766 1.1458 1.6826 0.6950 2.0602 1.2255 0.9832 1.0641 1.2039 1.0627 0.9009 1.5718 1.1468 1.4719 1.0947 1.3297 1.5587 0.4369 0.4621 0.7395 1.1764 1.0750 1.0648 1.8281 2.1877 1.2089 0.8151 1.4627 0.4001 0.7343 0.4334 0.6960 0.3990 1.4218 1.4586 1.0644 1.5227 1.0609 0.5699 deoxycarnitine 1.1672 0.9825 0.7772 0.7731 0.6652 0.9759 1.0092 0.9499 0.8565 0.6928 0.8685 1.7148 1.5845 1.7536 1.5813 1.8235 1.7632 0.6848 0.7089 0.7778 0.9043 0.7613 0.9959 0.7441 0.7717 0.6658 0.6795 0.7939 1.0752 1.1829 0.9628 1.1747 0.7426 0.9320 0.8920 1.0661 1.0777 1.1833 1.2278 1.1151 1.1417 1.4508 1.2155 1.2982 1.2734 1.3306 1.2051 0.9878 0.9687 0.7152 0.7113 1.1755 0.6054 1.2707 0.9415 1.0087 1.2978 1.0014 1.0707 1.2090 1.4825 1.3035 1.4365 1.1515 0.9789 1.1134 0.9986 0.9624 0.8847 0.8508 0.6876 0.6336 0.9203 0.6450 0.9682 1.3873 1.2416 1.0659 1.0640 1.3558 0.7730 0.8157 0.8131 0.6636 1.2169 1.0942 1.4806 1.4704 1.5236 1.5800 1.3263 1.3997 0.8531 0.7161 0.6919 1.0345 0.8083 0.9758 1.0069 1.0268 0.8959 0.9767 0.9018 1.3333 1.4489 1.6701 1.3249 1.3444 1.5644 1.1476 1.1108 0.8169 0.7802 0.6091 0.7859 1.1340 0.7025 0.6782 0.6825 0.9867 1.0035 0.9901 0.8925 1.0028 0.7664 0.9405 0.9148 0.9564 0.9076 1.2680 1.5815 1.1612 1.1869 1.4160 1.3112 0.8015 1.0134 1.1632 0.9030 0.8742 1.1039 1.1209 0.9483 1.3905 1.0000 1.3623 1.0797 0.9661 0.8709 0.9681 1.2069 1.0000 1.1876 1.3049 1.1854 1.2581 1.2585 1.1480 1.2851 1.0553 0.8857 1.0092 0.8719 1.0294 1.0339 0.7679 0.6263 0.7441 1.1507 0.9973 0.8619 0.9294 1.3236 1.0456 0.8705 1.3031 0.7444 0.8395 0.7815 1.0961 0.8518 0.9251 0.7453 1.1869 0.9030 0.6311 0.7649 dimethylarginine (ADMA + SDMA) 1.0345 1.0815 0.7860 0.8286 0.7253 0.6767 1.0364 1.1455 0.6497 0.6690 0.7426 1.0519 0.9144 1.0565 0.9801 1.0218 1.0121 0.6107 0.6422 0.7234 1.0591 0.7081 1.0913 0.9089 0.9113 0.5824 0.6752 0.8942 1.0058 1.0772 0.7597 1.0152 0.7349 0.7515 0.7544 1.1284 1.1520 1.1350 1.1765 1.0801 1.0871 1.4146 1.2697 1.2644 1.2797 1.1541 1.4059 1.2101 0.6385 0.6341 0.7457 1.1105 0.6513 1.0620 0.6169 0.6206 1.0394 0.5428 0.7922 0.8901 1.1847 0.9942 1.2054 0.8989 1.0264 1.0224 0.9656 0.9753 0.9768 1.0911 0.8578 0.7202 1.1471 1.0000 1.3349 1.2019 1.1408 1.1639 1.1029 1.2754 0.9147 0.7964 0.7617 0.8142 1.4294 1.4686 1.2289 1.1587 1.0645 1.3558 1.2738 1.3218 1.0279 0.7302 0.7866 1.0231 0.8451 1.0631 1.0216 0.9646 0.9879 0.9813 1.0511 0.9025 0.9108 1.2485 0.9821 0.9627 1.1822 1.2412 1.3285 0.9446 0.7181 0.8055 0.9421 1.0527 0.7492 0.6806 0.7650 1.0774 0.9495 1.0190 1.0077 0.9937 0.7577 1.1294 0.8078 1.1358 0.7564 0.7830 1.0646 0.6371 0.8224 0.9783 0.7765 0.6456 0.6925 1.0304 0.8476 0.7160 1.0181 0.7593 0.8150 1.0854 0.7756 1.1471 0.8173 0.8627 0.9761 0.9631 1.3770 1.0168 1.3809 1.0825 1.1768 1.1329 1.0734 1.2718 1.2017 1.0757 1.0417 1.0141 1.0508 1.0148 1.1760 0.7048 0.6078 0.6128 1.0603 1.1456 0.7962 0.7927 1.5433 1.1028 0.8602 1.5274 0.5909 0.6969 0.6295 1.0832 0.6227 1.3078 1.1676 0.7997 1.1635 0.7431 0.7269 dimethylglycine 1.1288 1.0858 1.0000 0.7302 0.8222 0.9187 0.8033 0.9280 0.7639 0.4662 0.6653 0.8952 0.7959 1.0858 1.0351 0.9157 0.9052 0.4824 0.9177 0.7281 0.7550 0.6361 0.8272 0.9101 1.0688 0.7954 1.0355 0.8032 0.8650 0.9341 0.9956 0.9273 0.6732 0.8610 0.7047 1.4701 1.7430 1.5171 1.7530 1.4561 1.6073 0.9815 0.7587 0.7455 0.9735 1.0063 0.9425 1.3515 1.3127 1.0782 0.8154 1.3257 0.6067 0.7765 0.5093 0.6238 0.7514 0.7617 1.2555 1.0561 1.3736 1.1113 1.2361 1.0336 0.9958 0.9001 1.0406 1.0530 1.0640 1.7817 1.8471 1.3968 2.0835 1.8330 2.4111 0.7594 0.6844 0.6446 0.7515 0.8839 0.7405 1.2692 1.2397 0.6757 1.1930 1.1585 2.0828 1.5695 1.7475 2.1438 2.3827 1.8049 1.1166 0.7771 0.9783 1.0820 0.9691 1.0323 1.1074 0.9212 0.9526 0.9309 1.0025 0.8587 1.0546 1.2650 0.8960 1.2606 1.1981 1.0794 1.4000 1.3980 1.1601 0.7153 0.9438 0.8723 0.5477 0.7668 0.6793 1.0230 0.8708 0.8924 0.8187 0.8908 0.8839 1.2595 1.0193 0.9474 0.9950 1.3022 1.3317 1.0515 1.7643 1.5838 1.1211 1.1248 1.3818 1.4579 1.1307 1.0513 1.3903 0.9571 0.9827 1.2304 1.2165 0.9914 0.9016 0.6532 0.7823 0.8466 0.8494 0.8039 0.9615 1.2209 1.3783 1.0026 1.3110 1.0444 1.2947 1.2491 1.0104 0.9540 0.9426 1.0233 1.5492 0.6538 0.5066 1.0867 0.7400 0.9975 0.7886 1.2646 1.3604 0.7957 0.7826 1.0634 0.8337 1.4878 0.8446 1.3964 1.0474 1.1626 0.9454 1.3098 1.2942 0.8383 1.1040 ectoine 0.7565 0.7038 0.2712 0.7978 1.1531 2.1646 1.2291 1.1011 0.8462 0.4535 1.5529 1.3390 1.5729 0.8848 1.9132 1.2667 1.4315 0.5897 0.5299 0.7093 0.2712 0.2712 0.6769 0.7173 1.3220 0.9562 0.7372 0.8291 0.5707 0.8075 1.0618 1.3144 1.0761 2.5839 1.0657 0.7144 0.6639 0.8701 1.7137 1.7154 1.1077 1.8166 0.6043 0.8677 0.8428 1.7019 0.5595 0.5414 0.2712 0.9974 0.6806 1.1647 0.2758 0.5104 0.7724 1.3323 0.7992 0.6238 0.9673 1.4874 1.3573 1.0849 1.6495 1.2605 1.2387 0.8907 0.4143 0.6935 0.5342 0.8669 0.2712 0.5663 0.7569 0.2712 0.2712 1.9636 1.1574 0.8488 0.7796 0.6656 0.9117 0.9833 1.3561 0.8311 0.9498 1.1239 2.2611 1.6848 2.1327 1.3102 1.5871 1.6273 0.7902 0.6256 1.3236 0.9287 0.8858 1.1442 0.9531 1.7074 1.0000 1.9936 1.3709 1.0536 2.2487 1.2571 1.4392 1.1763 1.1352 1.8504 1.3701 1.3825 2.4953 0.6750 1.2806 0.7959 0.5029 1.3814 0.7727 1.0329 1.9051 0.9003 1.2013 0.9041 0.2712 0.8825 0.8512 1.1766 0.9306 0.8665 0.2712 0.9680 0.6237 1.1013 0.5333 0.9635 0.7750 0.8915 0.8717 0.5787 0.9697 0.9004 1.6037 1.5865 1.1758 1.3569 0.7928 1.5725 1.2187 1.1187 1.2207 0.9800 0.6200 0.9717 1.2891 1.5865 2.4008 0.8845 0.8947 0.8671 1.0416 1.2808 1.2526 1.5891 1.5613 0.9228 0.2712 0.9922 1.5199 1.6813 0.5877 0.5442 1.4790 1.0325 1.9943 1.0791 0.2712 0.7334 0.4067 1.6979 1.0026 0.2712 0.2712 0.2712 0.2712 0.2712 0.2712 ergothioneine 1.3358 1.4638 1.0342 1.1329 1.0876 1.4117 1.0251 0.8631 0.8697 0.7883 1.0772 0.6680 0.4295 0.6703 0.5616 0.5225 0.6231 1.2393 1.5005 1.6011 2.1509 1.6739 2.9941 0.6090 0.6184 0.5920 0.4835 0.5849 1.7289 1.0639 1.0465 0.9660 0.8839 1.0371 0.9784 2.6170 2.7041 2.5742 2.7117 2.2685 2.4915 1.0493 1.0385 0.9590 0.9097 0.9588 0.8125 1.2216 0.9226 1.0544 1.1858 1.1157 1.0460 1.2331 0.9776 1.0587 1.3059 1.1408 0.7234 0.7657 0.8836 0.7937 0.8880 0.8106 1.0865 0.9441 1.0847 0.9744 1.0168 1.8463 2.2567 2.1351 1.9027 1.4419 1.8241 1.2045 1.2380 1.4741 1.1987 1.2066 0.6141 0.5787 0.6038 0.6515 0.5768 0.7156 0.7052 0.6847 0.9360 3.6775 0.7805 0.6676 1.8358 1.8726 1.7294 2.1396 1.7816 0.9102 0.9392 0.8506 0.8077 0.9604 0.9726 0.6556 0.5833 0.6820 0.5303 0.7668 0.7147 1.1350 1.4234 1.0487 1.0369 1.0631 1.1218 4.0164 0.3236 0.2740 0.2121 0.6528 0.7373 1.2914 0.4348 0.5645 1.0007 0.9478 0.7411 0.8314 0.8650 0.9993 1.3000 1.0725 1.0376 1.2750 1.0416 0.8594 0.8635 0.7633 0.7346 1.0913 0.7848 0.7349 0.7351 0.6939 0.6567 0.7738 0.7625 1.0847 0.9230 1.0393 0.9749 0.9675 1.1236 2.2748 1.8909 2.0585 1.7995 1.9410 2.0327 2.2871 2.1653 2.3297 2.2518 2.3595 6.0112 0.7531 0.8027 0.7547 0.7423 0.8290 1.3492 1.3215 1.9392 1.3091 1.2993 1.6163 0.5984 0.5176 0.5105 0.6539 0.5294 0.1915 0.1080 1.6401 0.1080 0.1080 0.1080 formiminoglutamate 0.5915 0.4682 0.9591 0.7118 0.5549 1.0777 0.8433 0.7689 1.2768 0.5749 0.9059 0.9114 1.7819 2.2918 1.0808 2.1246 1.3916 0.5678 1.1701 0.7526 0.8495 0.6547 0.9303 0.8747 0.3595 0.6019 0.7111 0.6936 0.8468 2.1831 3.3088 2.2296 1.0141 1.2231 1.1713 1.7454 1.2619 1.6189 1.5171 1.8657 1.3061 1.3316 1.5809 1.3070 1.4945 1.4585 2.0535 0.8992 1.2059 1.0854 0.5555 0.7207 0.5671 0.7800 0.5925 0.9389 0.8214 1.2659 2.1272 1.6472 1.6520 1.0797 1.6362 1.0468 0.4073 0.4712 0.4977 0.5839 0.3595 0.6449 0.5252 0.6666 0.5484 0.5202 0.6459 0.7039 0.6698 1.0151 0.8382 0.8001 0.8720 2.6160 1.4678 0.8120 1.7929 1.6453 2.4097 1.8313 2.7067 2.6652 2.0037 2.8293 1.2801 1.0000 0.7971 1.5594 1.3608 0.8308 0.7220 0.7196 1.0851 1.4621 0.9129 0.8324 0.9282 1.3463 0.6588 1.7841 1.2026 0.9247 0.9913 1.2587 0.6122 0.6960 0.4673 0.7836 0.3595 0.8274 0.3745 0.3595 0.8084 0.4862 0.4973 0.5515 0.8353 0.8310 1.5425 1.0885 0.9034 1.0920 1.2618 0.9757 1.7099 1.2361 0.7545 1.0784 1.2157 1.0161 1.0038 0.6283 1.0857 0.6839 1.1945 1.3973 2.0257 1.8336 0.8416 1.4483 1.2345 2.2238 1.6568 1.2754 1.4039 1.5360 2.5971 1.8738 2.4615 2.4645 2.3753 0.8599 0.8760 0.8067 1.3040 0.6069 0.9170 0.6866 0.6831 1.8439 0.7784 1.0058 0.6419 1.3700 1.4500 0.6515 0.6819 0.9492 0.7419 1.7217 0.9511 0.7480 1.2887 0.9962 1.0520 1.6685 0.9707 0.3595 0.6670 fructosyllysine 1.0808 1.1679 0.8136 0.6604 0.9490 0.7779 1.1900 1.0549 0.7464 1.0355 1.0739 0.9094 1.5576 1.6944 1.3489 1.3103 1.1933 0.6218 0.6536 0.6610 1.0622 0.6237 1.0890 1.0335 0.8558 0.7436 0.5979 0.8911 1.0158 1.1058 0.8877 0.7805 0.7867 0.9683 0.7624 0.8683 1.3755 0.9142 1.5235 0.9586 1.7352 0.9596 0.9160 1.1786 1.4599 1.4583 1.5125 1.0000 0.3673 0.4162 0.6311 1.1420 0.5454 1.6785 1.3328 1.2001 2.0400 1.0291 0.8477 1.0041 1.1141 1.0599 1.2708 0.8074 0.9664 0.8104 0.8178 0.8187 0.8144 0.9069 0.8815 0.7399 1.5747 1.1954 2.3187 1.0953 0.7322 0.8222 1.4515 1.4072 0.6854 0.5702 0.6958 0.5115 0.9788 1.0469 1.4858 1.4042 1.4254 1.3542 1.6452 1.3020 1.1785 0.9891 0.9279 1.0372 0.8490 1.1063 1.5462 0.9959 0.7284 1.2313 1.0428 0.4399 1.0479 1.1469 0.7545 0.6382 0.6882 1.1332 1.2437 1.0124 0.8066 0.5086 1.3102 1.1892 0.6148 0.6953 0.8219 0.8586 0.7687 0.8913 0.3330 0.9017 0.4860 1.4687 0.8794 1.3684 1.2715 0.6440 0.9857 0.5058 0.7700 1.2351 0.6502 1.5633 1.3287 1.9552 2.0137 1.1993 1.6298 0.5532 0.5250 0.7349 0.9979 1.6086 0.7869 0.8628 1.1968 0.8983 1.9879 1.6116 1.5654 1.5545 1.3005 1.1207 1.0081 1.0948 1.0055 1.0901 0.7345 1.3333 1.1905 0.8815 1.2757 0.7958 0.3870 0.7695 1.0548 1.4229 0.7556 0.5704 1.1285 1.2084 0.8391 1.8167 0.9646 0.6368 0.7864 1.0463 0.8412 1.5043 1.1103 0.8039 1.2793 0.6351 0.5236 gamma-glutamyl-2-aminobutyrate 1.7044 1.5807 0.1831 0.4393 0.1831 0.1831 2.4998 1.0000 0.1831 0.1831 0.4039 1.9303 2.1007 0.1831 0.1831 1.6287 2.6734 0.6253 0.4389 0.1831 0.5963 0.1831 1.7430 0.7623 0.1831 0.1831 0.1831 0.1831 1.2567 0.2545 0.5005 1.0011 0.1996 0.4946 0.4536 1.3287 1.3036 1.8602 1.3529 0.5494 0.1831 1.6454 0.9539 1.1358 1.9459 1.4093 2.1331 1.3472 0.1831 0.1831 0.1831 1.1236 0.1831 2.3210 0.1831 0.4897 1.7777 0.1831 1.3143 0.7688 1.1740 0.2479 0.1831 0.6562 1.0131 0.1831 0.8605 1.9046 3.3265 0.1831 0.1831 0.5662 0.6297 0.4555 0.6819 1.0544 1.2441 0.6389 0.4686 0.5799 0.1831 0.5093 0.1831 0.1831 1.5976 1.2141 1.6676 0.7132 0.1831 0.1831 0.1831 0.1831 0.7388 0.9532 0.1831 1.9573 0.1831 0.9863 1.8309 1.5902 0.1831 1.3922 2.1955 0.1831 0.1831 0.7964 0.6542 0.1831 1.0912 1.2667 0.9559 0.1831 0.1831 0.4938 0.5618 1.5638 0.1831 0.1831 0.1831 0.8480 0.1831 0.8740 0.6832 1.0080 0.1831 2.0037 1.2285 0.7525 0.2425 1.0924 1.4882 0.6691 0.3865 1.5245 0.8127 0.4785 0.1831 1.0054 0.6970 0.1831 1.5340 0.1831 0.4397 0.6628 0.4206 1.1104 0.6990 0.4857 0.3066 0.8945 1.5796 0.6925 1.1681 0.1831 0.9823 1.3942 0.6899 1.1795 1.2923 1.2900 1.5302 0.9989 1.7712 2.3328 0.8673 1.0793 0.1831 1.0387 0.3131 1.2351 0.1831 0.2055 1.0232 0.1831 0.1831 0.1831 0.1831 0.1831 0.1831 0.6144 0.1831 1.0091 0.8226 0.1831 0.1831 0.2270 0.6413 gamma-glutamyl-alpha-lysine 1.4521 1.6589 0.7008 0.4212 0.3657 0.3050 1.3640 1.5434 0.5563 0.3638 0.6012 1.5311 1.8495 2.1824 1.4857 1.8224 1.7629 0.2450 0.3454 0.2760 0.9358 0.2255 0.9870 0.9381 1.0135 0.3357 0.6292 0.7966 1.1672 1.3879 0.6354 1.2534 0.3296 0.5386 0.5011 1.7196 1.6966 1.7330 1.6515 1.9340 1.9433 2.1555 1.9741 1.9644 1.9860 1.9953 2.1963 1.8164 0.5231 0.2308 0.4123 1.7920 0.2658 1.0128 0.3114 0.3608 1.1407 0.3027 0.5229 0.4035 1.2693 0.7038 1.1357 0.4794 1.2977 1.3408 1.2448 1.2250 1.1198 1.6434 0.7450 0.3934 1.7610 0.7451 2.1583 1.5501 1.5395 1.2576 1.2922 2.1986 0.5307 0.4975 0.4398 0.4439 2.2820 1.9882 1.0896 1.1841 1.1096 1.2601 1.4665 1.3634 0.9201 0.4738 0.4060 0.9505 0.5756 1.2061 1.3786 1.4827 1.3909 1.2487 1.6432 0.4569 0.5563 1.6815 0.5862 0.7635 1.8191 2.0702 1.8068 0.9898 0.3172 0.4753 0.7353 1.6238 0.3445 0.2003 0.3254 0.7634 0.7918 0.6186 0.6950 0.7934 0.2671 1.1032 0.6209 1.2197 0.4396 0.4046 0.9872 0.2626 0.5597 1.0178 0.4845 0.7492 0.8549 1.6665 0.9567 0.5707 1.6997 0.8533 0.6878 2.0321 0.8381 1.8577 0.6749 0.7466 0.8389 1.0102 2.2128 0.9882 2.0466 1.4149 1.4599 1.3103 1.0964 1.4691 1.5649 1.3302 1.2538 1.2951 1.3151 1.3812 1.4617 0.2712 0.2003 0.3287 1.5441 1.1799 0.5551 0.5518 1.8880 0.9473 0.5813 1.7523 0.3719 0.4523 0.4214 1.3719 0.3473 1.5487 0.9201 0.6048 1.6997 0.3606 0.3249 gamma-glutamylcitrulline* 1.9651 1.5087 0.7129 0.5418 0.4913 0.7705 1.2599 1.1484 0.4574 0.4219 0.6351 1.1483 1.8160 1.7044 1.2444 1.8540 1.6060 0.2531 0.3257 0.4840 0.8858 0.3031 0.9967 0.9295 0.8582 0.5508 0.4408 0.9877 1.2208 1.2111 0.5816 1.2413 0.2256 0.5555 0.4536 1.0883 1.1838 1.3048 1.0030 0.7764 0.8075 2.2393 2.3948 2.2882 2.2611 2.2531 2.2970 1.3932 0.4992 0.3065 0.3133 1.4533 0.2689 1.1148 0.3072 0.5684 1.1830 0.3408 0.4835 0.8711 1.3096 0.8261 1.2310 0.4791 1.0513 1.0639 0.9489 1.1216 1.1090 1.2447 0.4903 0.4935 1.5952 0.6872 1.7033 1.6432 1.4323 1.1807 1.3442 1.3775 0.4033 0.5151 0.7613 0.4341 1.5836 1.5764 1.8836 1.3915 2.0438 1.4486 1.6548 1.8117 0.9178 0.6727 0.5711 1.0744 0.7198 1.1833 1.3941 1.3230 1.3802 1.5589 1.3375 0.6672 0.8089 1.6465 0.7825 0.8718 1.6793 1.8255 1.9304 0.7663 0.4661 0.6522 0.8184 1.0000 0.3555 0.4036 0.3151 1.6222 1.5266 1.2408 1.3276 1.7969 0.2124 0.8925 0.3904 0.8554 0.4378 0.5650 1.5488 0.6976 0.6614 1.5510 0.8120 0.9557 0.7389 1.6724 1.2756 0.6740 1.7730 0.5868 0.8682 0.9900 0.4847 1.2212 0.6354 1.1501 0.9256 1.0001 2.0697 1.1083 1.7643 1.0033 1.1152 0.9622 0.9578 0.9541 1.1090 1.7499 1.3610 1.6049 1.5456 1.5548 1.5329 0.4153 0.2119 0.3981 1.0612 1.1101 0.5706 0.4469 1.4209 0.6704 0.5969 1.4542 0.1963 0.2846 0.2222 1.0089 0.3480 1.8188 1.1297 0.6223 2.0979 0.5208 0.7325 gamma-glutamyl-epsilon-lysine 1.1064 0.3454 0.8104 0.4813 0.3804 0.4495 1.6889 0.7529 0.6104 0.6103 0.7037 1.3075 1.8345 0.3454 1.1603 1.5533 1.4307 0.4082 0.5508 0.3454 0.6185 0.4320 1.3235 0.8527 0.8101 0.5605 0.3454 1.0000 1.1549 1.0175 0.8145 1.3962 0.4477 0.6299 0.3454 1.3562 1.5573 1.6531 1.1372 0.3454 0.3454 1.5311 1.6940 1.8330 1.8568 1.1798 1.8227 1.4125 0.4086 0.3454 0.3454 1.2007 0.3454 1.2255 0.3710 0.6040 1.1702 0.6264 0.6980 0.4807 1.4496 0.7962 1.4368 0.6317 1.1820 1.0703 1.0526 1.0721 1.2764 0.3454 0.3454 0.9088 1.4103 0.9516 0.3454 1.1313 1.2458 0.8667 0.9968 0.3454 0.5023 0.8042 0.6865 0.6670 1.3994 1.3179 1.1629 0.8876 0.9008 1.6425 0.3454 1.1695 1.0088 0.8740 0.3454 1.2139 0.9486 0.9615 1.1345 0.3454 0.9941 1.2550 0.3454 0.4924 0.3608 0.8784 0.5169 1.0000 0.3454 1.7130 1.3352 0.3454 0.7032 0.6295 0.8142 1.6116 0.3454 0.3454 0.3454 0.9641 1.0120 1.0411 1.0286 0.8926 0.9922 1.3571 0.7741 1.5926 0.5275 0.4111 0.9949 0.3454 0.4281 1.0256 0.4240 0.6306 0.6575 1.7623 1.0492 0.9250 1.7469 0.3454 0.8488 0.3454 0.8506 1.3629 0.7949 1.0327 1.1398 1.3939 1.8580 1.1625 1.5355 1.4233 1.4728 1.4007 0.3454 1.7647 1.5551 1.0859 0.8413 1.1781 1.1761 1.1503 1.2471 0.7456 0.4983 0.7128 0.3454 1.2978 0.8145 0.5592 1.6703 0.8785 0.7918 1.6203 0.4417 0.6211 0.3693 1.3463 0.3694 1.2353 0.9470 0.7444 1.2309 0.3590 0.6770 gamma-glutamylglutamate 0.8770 0.9342 0.6646 0.1065 0.1065 0.1065 1.4403 1.1859 0.8472 0.1606 0.4080 1.2731 1.5774 1.5942 1.3349 1.7074 1.5162 0.1065 0.3310 0.1758 0.9117 0.2232 0.9072 1.0261 0.5905 0.3386 0.7263 0.4971 1.3310 1.5050 1.0128 1.6118 0.1065 0.4083 0.2422 1.4203 1.5644 1.3283 1.1931 1.3588 1.0062 1.9099 2.0406 1.6292 1.8442 2.0610 2.3477 1.7148 0.7325 0.1817 0.1253 1.7245 0.1065 1.1284 0.1065 0.2267 1.0919 0.3919 0.5982 0.2182 0.9925 0.4113 0.9185 0.2139 1.0457 0.8382 0.7894 1.1332 1.0118 1.1302 0.2690 0.1716 1.2759 0.4478 1.2208 0.7571 0.9125 0.9760 0.8539 0.7412 0.2074 0.8989 0.2272 0.1065 1.7126 1.6997 0.9958 0.9259 1.1269 1.9383 1.0696 1.4107 1.0411 0.3877 0.4145 0.9348 0.6345 1.0035 1.1775 0.7450 1.3184 0.7746 1.4339 0.1172 0.1957 1.6481 0.1065 0.6376 1.7042 1.3070 1.5695 1.0649 0.2633 0.1076 0.1065 1.4355 0.1065 0.1065 0.1065 1.2254 1.0456 1.0000 1.0028 1.2078 0.3095 1.7512 0.8506 1.7130 0.4024 0.2761 1.2623 0.4570 0.8159 1.3708 0.3721 0.5025 0.9938 1.3780 0.5974 0.4810 1.4086 0.3352 0.4682 1.3377 0.8209 1.8234 0.3308 0.8603 0.6341 1.6081 3.3661 0.6853 1.7759 1.4622 1.5418 1.2371 1.3876 1.4025 1.6368 1.1102 1.2411 1.1411 1.9063 1.2561 1.6076 0.1065 0.1065 0.3650 0.7639 0.6215 0.2828 0.8029 1.2156 0.4542 0.3105 0.8540 0.1065 0.4330 0.1065 1.2776 0.1686 1.3297 0.2793 1.3651 1.3760 0.1065 0.1065 gamma-glutamylglutamine 1.7213 1.4453 0.7089 0.6217 0.4097 0.6169 1.5371 1.5412 0.8521 0.6300 0.8933 1.6240 1.6556 1.4729 1.6774 1.6724 1.8866 0.3850 0.4191 0.5565 0.8926 0.4136 1.0935 1.0551 0.8816 0.4644 0.4699 0.8971 1.2986 1.3014 0.6993 1.3603 0.3004 0.5394 0.5614 1.1524 1.2575 1.3985 0.8725 0.7889 0.9059 1.6339 1.6583 1.6832 1.5354 1.8361 1.5609 1.3753 0.7976 0.3028 0.3877 1.5253 0.3640 0.8926 0.3473 0.3943 0.9158 0.4132 0.4883 0.5169 1.2065 0.6639 1.2122 0.4949 1.2441 1.2982 1.1587 1.2847 1.3263 1.2555 0.5588 0.5290 1.3746 0.6642 1.6097 1.5943 1.3436 0.9059 1.1972 1.4968 0.7145 0.7612 0.6823 0.6872 1.9003 1.8946 1.1415 1.0175 1.3713 1.6811 1.2610 1.3193 1.0481 0.6565 0.5555 1.0490 0.9069 0.9624 0.9580 0.9283 0.9895 0.9722 1.0105 0.8877 1.0175 1.5584 1.0000 1.1583 1.6907 1.4807 1.7195 0.7228 0.3828 0.4800 0.7682 1.9494 0.6773 0.7973 0.7563 1.4095 1.1609 1.0630 0.9137 1.3302 0.3000 1.2217 0.6319 1.0196 0.4826 0.8063 1.0113 0.5529 0.6252 0.9844 0.6556 0.9876 1.0776 1.6844 1.1850 0.7903 1.5531 0.7407 0.8305 1.3597 0.7826 1.5494 0.7982 0.7994 0.7133 0.9181 1.6515 0.8016 1.6845 1.0892 1.0793 1.0964 1.0990 1.0678 1.0836 1.1832 1.1110 1.1726 1.0212 1.1650 1.3967 0.3953 0.3429 0.4162 1.1181 1.0232 0.5683 0.5213 1.4276 0.7434 0.6231 1.3611 0.2944 0.4502 0.2885 1.2804 0.4299 1.4172 1.0785 0.7450 1.5333 0.7614 0.7874 gamma-glutamylglycine 1.7602 1.7601 0.9134 0.3380 0.2588 0.4666 0.9446 0.8518 0.4396 0.2632 0.3168 1.5512 1.7983 1.9061 1.8728 1.9784 1.8561 0.2493 0.5579 0.3156 1.5443 0.2625 1.6286 1.2479 1.3580 0.4727 0.7097 0.8596 1.8919 1.2313 0.6493 1.1574 0.2026 0.2493 0.4775 1.0132 1.1181 1.1020 1.1181 1.0383 1.0576 2.7027 2.4970 2.6745 2.4419 2.6383 2.7365 2.6465 0.7698 0.2356 0.3524 2.5768 0.4433 0.9861 0.1682 0.1757 0.9925 0.3164 0.4818 0.3944 1.2824 0.5957 1.2803 0.3232 1.4008 1.3218 1.2728 1.3602 1.3778 1.4053 0.4651 0.4551 1.9247 0.5440 1.7347 2.9874 2.9321 2.1822 2.4536 2.8020 0.2669 0.4263 0.3568 0.3307 1.5879 1.4957 1.0347 1.0011 0.9884 1.1425 1.0661 1.0375 0.5341 0.3794 0.4282 0.7887 0.5583 1.2609 1.4747 1.3946 1.0962 1.3738 1.2840 0.5257 0.6926 1.9056 0.5991 1.1550 1.9822 2.2592 2.1228 1.0000 0.2440 0.5410 0.8339 1.7965 0.4344 0.2771 0.4171 2.5811 2.2842 1.7760 1.9014 2.3927 0.2181 0.9829 0.4871 0.8859 0.1693 0.3762 0.9700 0.2384 0.4378 1.0313 0.4120 0.5294 0.7301 1.3427 0.8015 0.6347 1.3615 0.5048 0.4451 1.5183 0.6402 1.1508 0.4600 0.5057 0.4655 1.0091 1.6505 0.9392 1.5707 1.1329 1.0755 1.1094 0.9970 0.8118 1.0499 1.2834 1.2008 1.4624 1.1608 1.3377 1.1359 0.2301 0.1591 0.1070 0.9989 1.1158 0.7613 0.9651 2.2924 1.0784 0.6387 2.5326 0.1730 0.4893 0.2279 1.0148 0.1971 1.5375 0.8439 0.6090 1.3622 0.2889 0.4474 gamma-glutamylhistidine 0.9401 0.7222 0.4906 0.2792 0.2629 0.4420 1.5319 1.2465 0.6161 0.9016 0.6116 1.7833 2.0055 0.8853 0.6747 1.2925 0.9857 0.7819 0.5291 0.6502 0.6618 0.7436 1.8837 1.0879 0.9713 0.2629 0.2629 1.3274 1.1192 0.9434 0.8297 1.4064 0.5335 0.6442 0.4892 1.5899 1.4962 1.7693 0.8085 0.6241 0.5562 1.0174 1.3877 1.4084 2.4039 1.2012 2.1381 1.9440 0.3097 0.4540 0.3693 0.7542 0.3302 1.2370 0.2629 1.2019 1.6624 0.4057 0.9694 0.3459 1.8024 0.7227 2.2093 0.9911 1.0213 1.0407 2.0279 0.9403 1.6339 0.7519 0.2802 0.5558 1.1710 0.5710 0.6500 1.0051 1.2980 0.8395 1.0750 0.8217 0.5880 0.7375 1.3630 0.2629 1.5493 2.5194 1.2242 1.2640 0.6572 2.2754 0.7188 1.0741 0.8604 0.7698 0.6332 0.8516 1.3677 0.2629 1.2072 1.1085 1.0904 1.1744 0.7527 0.6388 0.7068 1.1173 0.7538 1.1653 1.0000 3.1651 1.0758 0.7090 0.3143 1.3053 0.8728 1.2023 1.2399 1.3074 0.6264 0.9250 0.8660 0.8530 0.9345 0.6786 0.2629 1.4919 0.7948 2.0635 0.5087 1.2190 1.3576 0.2629 0.6626 0.9140 0.4411 1.0912 0.8196 2.4406 1.5569 1.0944 2.2254 0.5086 0.7427 0.7612 0.5455 1.0712 0.5521 0.3922 1.4968 1.5365 1.6810 1.4338 2.4424 1.1145 1.1047 1.3504 1.0604 1.8352 1.3458 1.0089 0.9804 2.3058 1.2272 1.0749 0.8109 0.5873 0.7150 0.4429 1.4235 1.2434 0.5993 0.3783 1.1470 0.5435 0.7620 1.7327 0.2629 0.5018 0.2629 1.6934 0.3516 1.8644 0.2629 1.3315 1.5385 1.1186 1.4592 gamma-glutamylisoleucine* 1.1611 1.0771 0.6585 0.5501 0.6245 0.6659 1.4312 1.2887 0.6185 0.5257 0.9942 1.8434 3.1536 2.7960 2.4788 3.0194 2.6130 0.3214 0.3058 0.5345 0.6981 0.4610 0.7510 0.6441 0.5926 0.4914 0.3554 0.8186 0.7599 2.0938 1.0143 1.6690 0.5558 1.0893 0.6231 1.5411 1.2280 1.3379 1.2880 1.3283 1.0927 1.8833 2.0551 1.6858 1.7469 2.0793 1.4943 1.1834 0.3724 0.6520 0.5102 1.1225 0.1873 1.2324 0.4797 0.6770 1.0353 0.4998 0.7028 1.0263 1.3132 1.0382 1.5727 0.8230 1.0961 0.7550 1.0391 0.9902 0.9420 0.7230 0.7082 0.7451 0.9525 0.7151 1.0674 1.1292 1.0587 0.9086 0.9859 0.8850 0.5240 0.6154 0.7966 0.5588 1.6305 1.3729 1.8148 1.5747 1.4639 1.6780 1.8364 1.9221 0.6480 0.4912 0.5808 0.9116 0.5505 1.1367 1.3129 1.3487 1.0673 1.7611 1.3040 0.7836 1.0020 1.7582 0.9332 1.0490 1.4535 1.3104 1.2242 0.8245 0.6362 0.4998 0.8465 1.2967 0.4788 0.6320 0.6047 0.7467 1.0098 0.6178 0.6560 0.7736 0.7080 1.2963 0.7703 1.3075 0.8440 0.7457 1.2442 0.6294 0.6522 1.2666 0.7052 0.7557 0.6286 1.3807 1.0053 0.7269 1.2355 0.8892 0.9645 1.3703 0.8658 1.5960 0.8696 1.1615 1.0302 0.9786 1.8998 1.1292 1.8107 1.1750 1.3900 1.3350 1.1467 1.0144 1.2944 1.1486 1.0707 1.3859 1.1356 1.1696 1.0880 0.4723 0.1873 0.3434 0.7280 1.2226 0.6237 0.5598 1.5347 0.8430 0.5275 1.4234 0.3363 0.5531 0.3808 1.0185 0.4862 0.9980 1.2950 0.7362 1.1942 0.6938 0.5511 gamma-glutamylmethionine 1.7392 1.6193 0.6670 0.5296 0.3739 0.2834 1.7724 1.2772 0.4190 0.4109 0.5023 1.8821 2.7168 4.2669 1.9581 2.6822 1.9631 0.3983 0.3006 0.2984 1.0138 0.3912 1.1034 0.8174 1.0332 0.1998 0.3872 0.8324 1.0650 1.2334 0.5668 1.2318 0.4186 0.3470 0.4466 1.4628 1.6278 1.9260 1.8593 1.3319 1.7194 2.1517 1.9603 1.8604 2.0472 1.5379 1.4775 1.7964 0.3334 0.3233 0.3813 1.6325 0.3677 1.0712 0.2789 0.2404 1.0185 0.2777 0.6362 0.4941 1.8801 0.8818 1.5105 0.7547 1.5568 1.3721 1.3810 1.0400 1.3509 0.8407 0.3961 0.1696 1.3063 0.9099 1.9182 1.5556 1.8690 1.1468 1.2868 1.5965 0.5160 0.5383 0.4099 0.5579 1.6535 1.4194 1.8260 1.2243 1.4409 1.0980 1.9652 1.5626 0.9038 0.6546 0.6055 0.9534 0.6963 0.8393 1.0168 0.9266 0.8861 1.3893 0.9819 1.0000 0.6929 1.7536 1.3651 0.9085 1.7255 1.6643 1.4266 0.4616 0.3021 0.4239 0.6199 1.1892 0.3331 0.3315 0.3482 0.9439 1.2120 0.9132 0.9706 1.1602 0.5801 1.3410 0.6340 1.4302 0.3236 0.7630 1.5846 0.2923 0.6074 1.2920 0.7571 0.5801 0.6743 1.8418 1.5297 0.8470 2.2048 0.6067 0.5256 2.0744 0.5978 1.5652 0.5012 0.6010 0.7350 0.8913 1.4493 1.1490 1.5148 1.3527 1.6498 1.6759 1.1803 1.4382 1.5707 1.2034 0.9862 1.4047 1.3609 1.2430 1.0334 0.3787 0.3347 0.3236 1.2724 1.0846 0.3992 0.4084 0.9630 0.5881 0.4631 1.5275 0.3905 0.3378 0.2357 1.5142 0.2510 1.6183 0.8516 0.4827 1.5950 0.4620 0.4617 gamma-glutamylthreonine 1.7041 1.3539 0.8338 0.2549 0.3386 0.2236 1.4783 1.1530 0.5327 0.2900 0.4727 1.4204 2.1243 1.9844 1.8135 2.1625 1.8365 0.2269 0.4666 0.2141 0.9371 0.1761 0.9754 0.6784 0.4344 0.3569 0.3862 0.4286 0.9950 1.2082 0.5526 1.4593 0.3902 0.4125 0.2527 1.1642 1.4712 1.2140 1.3788 1.2702 1.3488 2.0968 1.6869 1.8707 1.6486 1.6679 1.4281 1.7926 0.6230 0.2217 0.3409 1.8191 0.2541 1.1559 0.2909 0.3155 1.0151 0.5075 0.4856 0.3295 1.0165 0.4463 0.9519 0.2746 1.3453 1.5786 1.4905 1.3312 1.5000 1.5053 0.3606 0.4019 1.7796 0.5052 1.7066 1.6570 1.7745 1.0000 1.1450 1.3291 0.3378 0.9029 0.4066 0.3639 2.4329 2.4078 1.0193 0.9714 1.0050 1.0918 1.1521 1.3144 0.5969 0.4086 0.2649 0.8181 0.4781 1.0828 1.3403 1.7613 1.2478 1.3091 1.4569 0.2457 0.5027 1.5030 0.3980 0.9118 1.4763 1.7490 1.5875 0.8275 0.2933 0.3645 0.5244 2.1053 0.3925 0.2512 0.2636 1.3345 1.5581 0.8235 1.0741 1.6965 0.3113 1.4020 0.6617 1.3186 0.3205 0.4437 1.1614 0.4100 0.5757 1.1995 0.6153 0.5672 0.6583 1.3916 0.6846 0.4853 1.6460 0.4434 0.4813 1.4143 0.9919 1.9035 0.3905 0.6261 0.6370 1.2935 2.3255 0.7424 2.1429 1.2407 1.2104 1.2921 1.1437 0.9795 1.1622 1.3240 1.0491 1.5235 1.3168 1.4897 1.1444 0.2896 0.2470 0.5925 1.3460 1.1386 0.5098 0.6222 1.3065 0.4050 0.3128 1.2052 0.3092 0.8485 0.3197 1.5453 0.1371 1.8393 0.8322 1.0447 2.0260 0.4318 0.3502 gamma-glutamyltyrosine 1.6782 1.6161 0.9667 0.4321 0.2646 0.5272 1.4425 1.1842 0.6457 0.1344 0.6636 0.7155 1.5457 1.4440 1.6312 1.8770 1.7603 0.2008 0.5336 0.3362 0.8762 0.4082 0.8650 0.8866 1.0489 0.6136 0.6977 0.9358 1.0626 1.9889 0.8411 1.4617 0.5139 0.5247 0.4742 0.9868 1.5559 1.7571 1.6533 1.5642 1.8722 0.9102 1.1709 1.0848 1.0538 1.4746 1.1593 1.1264 0.6169 0.3510 0.5523 1.3597 0.3167 1.2764 0.4345 0.1344 1.3784 0.5019 0.7253 0.7062 1.3766 1.0361 1.2672 0.5344 1.0371 1.1762 1.4382 1.2329 0.9242 1.0350 0.5840 0.1344 1.5335 0.7618 2.3288 1.4571 1.1935 0.9532 1.0654 1.4598 0.3496 0.8292 0.5883 0.4292 2.6025 2.4884 0.9730 1.1424 1.3875 1.0758 1.0108 0.7039 0.7798 0.3883 0.5094 0.9022 0.1344 1.1926 1.2632 1.1715 0.9892 0.9258 1.2829 0.6674 0.7917 1.6733 0.5756 0.9110 1.7150 1.3011 1.9638 1.0362 0.1344 0.4694 0.7144 1.0132 0.1344 0.1344 0.3010 1.0396 0.9836 0.6730 0.6037 0.9444 0.6470 1.4907 0.7588 1.1185 0.6561 0.5026 1.0622 0.5393 0.8061 1.3094 0.6017 0.7010 0.6972 1.0862 0.6571 0.5133 1.0326 0.7789 0.4617 1.2694 0.8654 1.3657 0.7354 0.5845 0.6833 0.6846 1.7659 0.7975 1.6514 1.4516 1.4609 1.3904 1.8357 1.2703 1.5096 1.3487 1.1256 1.7595 1.3929 1.5252 1.5949 0.1344 0.1344 0.4394 1.0324 1.0653 0.4519 0.7936 1.4179 0.5159 0.3697 1.3438 0.3022 0.2551 0.3840 1.0645 0.1344 1.7451 1.4517 0.8298 1.9409 0.1344 0.1344 gamma-glutamylvaline 0.8156 0.7055 0.2849 0.1765 0.3004 0.4193 0.8569 1.0609 0.5202 0.3130 0.6767 1.6000 1.6708 1.9018 1.7982 1.6896 1.9974 0.4424 0.7319 0.6544 1.0659 0.6075 1.1605 0.9689 0.7723 0.6929 0.6864 0.8488 0.9674 2.0903 1.1992 1.6210 0.6204 1.1430 0.7749 1.5172 1.4855 1.4625 1.4155 1.4699 1.2959 1.5619 1.6354 1.6797 1.6944 2.1385 1.6637 0.8373 0.3518 0.3817 0.2541 0.9902 0.2029 1.2906 0.5019 0.8518 1.3788 0.6597 0.9461 1.1115 1.5907 1.1398 1.5951 0.8663 0.8583 1.0610 1.0711 1.0039 1.0166 1.1169 0.8666 0.8351 1.3430 0.7675 0.9933 1.1384 1.2335 1.0824 1.2065 1.2718 0.5235 0.8629 0.8502 0.5095 1.7756 1.4705 1.7993 1.9048 2.0921 1.9659 1.8410 1.8737 0.9790 0.5241 0.9518 0.9530 0.7121 1.6363 1.6409 1.7033 1.5659 1.7169 1.7527 0.7272 1.1250 1.8700 0.6438 1.1667 1.7294 1.2432 1.5228 0.9728 0.9470 0.6597 0.6687 1.4866 0.5461 0.8108 0.7798 0.7185 0.7263 0.7000 0.5736 0.5871 0.8561 1.3695 1.0628 1.6090 0.9961 0.7100 1.4372 0.8816 1.0245 1.3795 0.8707 0.9620 1.0067 1.4216 1.0218 0.8343 1.3081 0.8082 0.8609 1.3040 0.9465 1.3897 0.8681 1.1941 1.1600 1.4647 1.8359 1.0705 1.7950 0.8767 0.8613 0.9550 1.0265 0.9245 0.7951 1.5764 1.3517 1.4666 1.1935 1.4698 1.3164 0.4198 0.3153 0.5780 0.9759 1.1625 0.5934 0.9492 1.7112 0.8575 0.7599 1.6239 0.3424 0.6351 0.4535 1.0596 0.5658 0.3379 0.2259 0.1765 0.1765 0.1765 0.2172 glutamate 0.7208 1.2130 0.9228 0.6080 0.5503 0.5573 1.1541 1.1249 1.1983 0.6408 0.7551 1.3467 1.1880 1.1804 1.3093 1.0287 1.0280 0.4290 0.7728 0.5327 1.0881 0.6316 1.1666 1.2067 0.7746 0.6324 0.9115 0.6168 0.9743 1.3623 1.3947 1.8061 0.4093 0.9922 0.6655 1.9298 1.9082 1.4411 1.3968 1.2213 1.1691 1.1327 1.3408 1.0078 1.2123 1.3113 1.7284 1.2113 1.0238 0.4735 0.5226 1.3953 0.5313 1.6856 0.5438 0.6734 1.6160 0.9061 1.2041 0.6140 0.9962 0.6802 1.1968 0.5593 0.7599 0.8143 1.1148 0.8628 0.8916 1.1407 0.8020 0.5951 1.6125 0.7558 1.0378 0.5166 0.5122 0.6077 0.9827 0.6429 0.7733 1.2298 0.6865 0.7328 1.3473 1.2948 0.9692 1.0842 0.7424 1.5046 1.0434 1.2573 1.0953 0.7015 0.7854 1.0038 0.9019 1.0371 1.5233 1.0813 1.2006 0.9597 1.6412 0.3914 0.3421 1.3710 0.3221 0.6556 1.2109 1.2606 1.4533 1.4863 0.6697 0.4671 0.7361 0.7847 0.3775 0.5244 0.4251 1.4696 1.1723 1.0913 0.8146 1.1469 0.5789 2.0936 1.1791 2.4346 0.7577 0.6415 1.3484 0.8581 1.3524 1.5962 0.6548 0.8914 1.0698 1.6110 0.9256 0.8399 1.3654 0.6616 0.8098 1.4615 1.3770 1.3845 0.6473 0.9205 1.0000 1.9884 2.6983 0.8188 1.6363 1.5843 1.8575 1.5073 1.5020 1.4742 1.8981 1.0462 0.9942 1.0794 1.8229 0.8667 1.2368 0.4224 0.3022 0.7007 0.7114 0.7905 0.5575 1.1526 1.1847 0.7322 0.7925 0.7063 0.4991 0.9528 0.4842 1.4194 0.4277 1.4393 0.6106 1.4365 1.3104 0.5330 0.5282 glutamine 1.3664 1.3120 0.7351 0.6763 0.5497 0.7607 1.3438 1.4370 0.7785 0.6628 0.8723 1.3296 1.3235 1.3295 1.1988 1.2113 1.3149 0.4522 0.5438 0.6458 0.8727 0.4973 1.0341 1.0266 0.9798 0.6128 0.5454 0.9963 1.1655 1.2055 0.7469 1.1723 0.5249 0.6481 0.6961 1.0282 1.1522 0.9443 1.0454 1.0000 0.9805 1.4843 1.3238 1.1870 1.1708 1.4523 1.1480 1.3481 0.7429 0.5101 0.5349 1.2197 0.4435 1.0112 0.4730 0.5125 0.8212 0.5240 0.7169 0.7564 1.1575 0.8624 1.1859 0.6955 1.1784 1.2029 1.1379 1.2242 1.0527 1.2619 0.7898 0.6106 1.3450 0.7375 1.6256 1.4936 1.3668 1.1704 1.2695 1.4529 0.6700 0.6892 0.6644 0.6034 1.3980 1.4782 1.0804 1.0624 1.1031 1.1658 1.1555 1.1807 1.0046 0.7487 0.7582 0.9710 0.8414 1.0283 1.0765 1.0262 1.0290 1.0868 0.9195 0.8791 1.0593 1.4188 0.9277 1.1057 1.5061 1.3630 1.4291 0.7782 0.6836 0.6001 0.9062 1.2844 0.7599 0.7756 0.7791 1.3423 1.2024 0.9713 1.0037 1.1143 0.6174 1.2384 0.7707 1.1636 0.6907 0.6430 0.9736 0.5574 0.7595 1.0648 0.6195 0.8702 0.9034 1.4165 1.0214 0.7496 1.3158 0.7387 0.8786 1.3673 0.7815 1.3696 0.8375 0.8203 0.7627 0.8942 1.2998 0.8353 1.1983 1.1845 1.1128 0.9904 1.1947 1.1600 1.0970 0.9673 1.0194 1.0874 0.9893 1.1055 1.0825 0.4743 0.3518 0.4998 0.8786 1.0198 0.6426 0.6279 1.2610 0.8749 0.6702 1.1354 0.3397 0.6322 0.3700 1.1384 0.4410 1.3103 1.1296 0.6849 1.2455 0.7121 0.7458 glutamine conjugate of C6H10O2 (1)* 0.6869 0.8191 0.2538 0.4709 1.0630 0.5896 0.6804 0.6463 0.2538 0.5046 0.4351 1.6013 1.6054 0.2538 1.3839 1.4689 1.3769 0.4324 0.2538 0.7210 0.2538 0.6666 0.2538 0.5978 0.5478 0.3917 0.2538 1.5365 0.6709 1.2736 0.6615 1.2888 0.7289 0.7103 0.6604 3.9567 1.9479 2.5578 2.9136 1.0364 1.4648 0.8911 0.6603 0.7124 0.8793 1.1914 0.5236 1.7080 0.4701 5.2978 3.7019 1.3899 1.7818 1.0243 1.1087 1.5554 0.9614 0.2538 0.2538 0.2538 0.4832 0.4524 0.5183 0.2538 1.0000 1.0829 1.0214 1.2425 1.6299 0.7730 1.6400 1.2485 1.5675 2.1276 0.6183 0.4572 0.4719 0.9171 0.2538 0.2538 1.5397 0.2538 0.7248 1.3017 1.4890 1.4175 1.4603 0.8767 0.8254 1.2593 0.9496 1.3565 0.2538 0.2538 0.2538 0.2538 0.2538 1.1168 2.1795 1.8268 2.2708 1.8126 1.6008 2.0183 1.2246 0.8710 2.8539 0.3317 0.8770 0.5393 0.6475 0.2538 0.2538 0.7878 0.7519 0.8302 1.3911 1.1116 0.6108 2.7811 1.6645 1.1768 1.9897 1.9705 0.2538 2.7887 0.7626 1.7290 1.8423 0.9376 1.9949 0.8392 0.2538 1.1006 1.7160 0.6292 0.2538 0.7007 0.9636 0.5762 0.7579 0.2538 0.4037 0.2538 0.2538 0.2538 0.6350 0.8425 0.8977 1.2956 1.8184 1.5584 2.7016 0.8810 0.7919 0.6899 0.5324 1.0089 0.7880 0.2538 0.6513 0.4494 0.5680 0.4507 0.4189 1.3317 1.3379 0.2538 0.2538 0.5099 0.6072 0.2538 0.6961 1.0541 0.4951 0.7493 1.1635 0.2538 0.6555 1.9753 1.7617 1.6815 5.2250 0.5052 1.4328 2.4914 2.1055 glutamine conjugate of C7H12O2* 0.5438 0.8308 0.1101 0.6427 0.7884 0.1951 0.3624 0.5553 0.1101 0.4069 0.4693 2.5908 0.8501 0.9507 1.1515 0.8237 1.3687 0.4524 0.1101 1.6963 0.1101 1.0906 0.2744 0.5146 0.3772 0.3856 0.1101 1.5938 0.7332 0.5556 0.1101 0.9097 1.0782 0.8613 1.0190 5.5257 1.9178 3.3453 3.6979 1.4001 1.7991 0.5295 0.4261 0.4010 0.5483 0.5922 0.9279 1.3101 0.1574 6.9457 5.0830 1.7914 2.6438 0.7393 1.5123 2.2600 0.6434 0.1101 0.1101 0.3192 0.1101 0.3995 0.3315 0.2845 0.6615 1.2575 0.7255 2.3467 1.1844 1.3495 2.9299 1.3324 1.7261 2.7187 1.4856 0.3631 0.1101 0.9715 0.5440 0.2909 2.7439 0.1101 0.5458 1.6842 1.2567 1.8755 0.8629 0.6731 0.2798 1.6183 1.0775 1.1636 0.1730 0.3537 0.2317 0.1263 0.1166 1.0000 1.4369 1.0990 2.5949 1.1125 1.4585 2.7627 2.7130 0.8459 4.3905 0.2515 0.8239 0.2214 0.1101 0.1330 0.7748 1.2739 0.9981 0.8997 1.4485 1.3871 1.7591 3.2203 1.4385 1.2427 2.6285 2.3431 2.8570 1.9302 0.1101 1.2567 2.9232 0.7934 1.6417 1.0521 0.1101 1.2153 1.1401 0.7365 0.1101 0.7178 1.4611 0.6725 0.8344 0.5420 0.5513 0.1101 0.1101 0.9205 0.7305 1.0000 1.5601 0.7240 2.8014 2.5544 2.6034 0.8784 0.4950 0.4764 0.1101 1.3527 0.6327 0.5119 1.0556 0.1101 0.3046 0.3966 0.4974 1.3189 1.6741 0.1101 0.1101 0.1101 1.2272 0.1101 0.5877 2.7496 0.8832 0.7320 2.0993 0.1101 1.3921 2.4463 3.7407 0.8696 9.2983 0.3475 1.6568 3.8414 2.4452 glutaroylcarnitine (C5) 0.9843 0.9959 0.7799 0.5379 0.6690 0.9359 0.5828 0.7975 0.6729 0.5684 0.7684 1.8303 2.1497 1.7069 1.8393 2.0672 1.8766 0.8696 1.1739 1.0662 1.4894 1.0571 1.2337 0.4592 0.4788 0.3538 0.5150 0.5416 0.6795 1.2879 1.2016 1.0780 0.9184 1.1291 1.0998 1.2138 1.3672 1.5981 1.5401 1.3458 1.3342 1.2431 0.9360 1.1332 1.0363 1.1414 0.8705 0.7977 0.7761 0.6687 0.6814 0.9553 0.4655 0.9226 0.6193 0.7989 0.7589 0.6939 1.5526 1.5475 1.7527 1.3799 1.6986 1.3320 0.5188 0.4138 0.5270 0.4547 0.6077 1.0065 0.7838 0.7787 1.0951 0.9730 1.2911 0.9836 0.8862 0.9567 0.8923 1.0000 0.9788 1.2273 1.3396 0.9275 1.5102 1.4441 1.0670 0.9935 1.1386 0.8951 0.8503 1.0248 1.0840 0.6711 0.7988 1.0810 0.9107 0.9918 0.8019 0.8161 0.8655 0.9496 0.9840 1.4515 1.3599 1.5195 1.4372 1.5122 1.4610 1.8417 1.7863 1.8356 1.5636 1.4296 1.4011 1.1149 0.7703 0.7804 0.8076 1.0204 1.2106 1.0587 0.8688 1.0525 0.6190 0.7148 0.7428 0.7786 0.7997 1.2100 1.2111 0.9734 1.0048 1.2176 1.0800 0.5712 0.7687 0.7834 0.6650 0.5556 0.8794 0.9735 1.0276 1.0637 1.0251 1.1034 0.9447 1.1125 1.0958 1.3159 1.5265 1.0879 1.3379 0.9952 1.1147 1.2953 1.0520 1.0783 1.1511 1.5328 1.4035 1.5752 1.2861 1.4041 1.7965 0.8535 0.6123 0.8186 0.9938 1.0819 0.9384 1.3195 1.5507 1.0896 1.1097 1.8195 0.7280 0.9837 0.6356 0.9386 0.8366 0.9021 0.6344 0.6748 0.8163 0.4748 0.5677 glycerophosphoethanolamine 1.0965 1.1681 1.0879 1.3052 1.1202 1.2752 0.9633 1.2035 1.6059 1.0230 1.4040 1.4625 1.4154 1.1812 1.6325 0.9861 1.1734 0.9316 1.6325 1.2966 0.8249 1.3690 1.3137 0.8107 1.1620 0.8894 0.9937 1.2127 0.8924 1.3895 1.2717 1.3353 0.6699 1.3418 1.1026 1.0751 1.6846 1.3326 0.6127 0.2439 0.8831 1.1346 1.0243 1.0191 0.9523 0.9862 0.9430 0.7780 1.2870 0.6386 0.9512 0.8082 0.8684 1.4068 1.4435 1.1129 1.5777 1.5639 0.8241 0.7608 0.8403 0.9014 1.0546 0.8661 0.9538 1.0269 0.9638 0.7363 0.8457 0.6505 0.7101 0.8234 0.7279 0.6434 0.7309 1.0913 0.9401 0.3947 0.7609 0.9600 1.2046 1.0505 1.2469 1.2797 1.0000 0.9690 0.7992 0.7947 0.7950 1.2120 1.0984 0.8541 1.4436 1.1166 0.8665 1.1507 1.7336 0.6742 0.9702 1.1884 0.9577 1.2721 0.8193 0.9896 0.7706 0.9110 0.8490 1.0345 0.9775 0.9296 0.9391 1.4589 1.0392 0.4537 1.0069 1.1019 0.9221 1.2392 0.9389 0.8838 1.1273 0.8358 0.4335 1.0759 0.3343 1.0497 1.0250 1.0233 0.9160 0.7628 0.8240 0.7848 1.0589 0.9852 0.9143 1.2743 1.4631 1.2811 1.1545 0.8655 0.9854 0.8343 0.9431 0.8714 1.0160 0.7998 0.8647 1.3497 1.2162 1.3421 1.2735 0.9184 1.0818 0.8543 1.1061 0.9579 0.8313 0.9091 0.8730 1.4006 1.5460 1.2504 1.2233 1.1460 1.1578 1.2050 0.5875 1.2995 0.9196 1.0063 1.1462 1.1676 1.0791 0.9501 1.1527 0.9556 0.7345 0.8580 0.7795 0.9000 0.7074 1.1071 0.6568 1.1551 1.2864 0.9532 1.0228 glycerophosphorylcholine (GPC) 1.0528 0.9927 1.0000 1.0971 0.9129 1.2657 1.0160 0.9973 1.1353 0.9217 1.1532 1.3083 1.1294 0.9679 1.1477 0.8326 1.2244 0.6268 1.4719 1.1684 0.6318 1.1603 1.0936 0.6376 1.3760 0.7693 0.9334 1.3730 0.8436 1.0067 1.0584 1.2237 0.9858 1.2297 0.9454 0.7653 1.0367 0.9216 0.5946 0.1926 0.7525 1.5398 1.3871 1.4216 1.4184 1.3137 1.2326 0.6993 1.2764 0.5951 0.8860 0.7636 1.0707 0.9634 0.9959 0.6392 1.5831 1.0797 1.0316 0.7826 0.8751 0.8954 0.9208 0.9771 1.2054 1.2636 0.9218 0.9618 1.0105 0.6549 0.6156 0.7557 0.6886 0.6395 0.7715 1.4508 1.0663 0.4175 0.9487 1.2897 0.9729 0.8803 1.0844 0.9585 0.8788 0.9467 1.0058 0.6378 0.7503 0.9644 1.1105 0.8309 1.2096 0.8120 0.7882 0.9813 1.4531 0.7967 0.9854 1.6225 1.0102 1.7718 0.9225 0.9242 0.8909 0.8816 0.7988 1.0874 1.0261 0.8914 1.1050 1.3348 1.0574 0.3836 1.0186 1.1653 0.8233 1.3779 1.0496 1.0711 1.3027 0.8455 0.3382 1.2530 0.3036 0.9415 1.1415 0.7338 0.9798 0.8972 0.7697 0.9828 1.1561 1.0118 1.1449 0.9808 1.0281 1.0501 0.8627 0.5772 1.0063 1.0112 1.0746 1.0210 0.9757 0.9538 0.9584 1.1951 0.9841 1.0399 0.9305 0.9412 1.0745 1.0102 1.2283 0.9429 0.8212 0.7794 0.8622 1.4418 1.9624 1.1601 1.0375 1.1661 1.1469 1.2636 0.5940 1.2004 1.1472 1.0041 1.1366 1.0826 1.2845 1.0635 1.1293 1.0581 0.6811 0.9729 0.6820 0.8598 0.7106 1.2239 0.5918 1.0801 1.1241 0.8711 1.1231 glycine 1.6324 1.5874 0.9125 0.7316 0.4620 0.5989 1.0897 1.0710 0.6711 0.5400 0.6058 1.5498 1.7175 1.7480 1.5976 1.7943 1.7157 0.5617 0.7568 0.5030 1.6171 0.5076 1.5502 1.3408 1.5774 0.7255 0.9774 1.2099 1.8919 1.1816 0.7124 1.0482 0.5540 0.4687 0.6177 0.8963 1.0930 0.9834 1.0000 1.0668 0.9618 2.5674 2.2696 2.2869 2.0091 2.2783 2.0534 2.4107 1.0635 0.4184 0.6458 2.2568 0.7087 1.0376 0.4740 0.3948 0.9989 0.4832 0.6990 0.5921 1.2226 0.7901 1.2704 0.6594 1.4390 1.3358 1.3567 1.2433 1.2877 1.5876 0.6373 0.5099 1.7084 0.9244 1.8644 3.0972 2.7636 2.1894 2.4058 2.8352 0.5516 0.6266 0.4255 0.5779 1.2153 1.3271 0.9400 0.9103 0.9225 0.9784 0.9625 0.9375 0.9296 0.6736 0.6668 0.9789 0.7543 1.2802 1.4571 1.4021 1.1429 1.4403 1.3777 0.7743 0.9005 1.8603 0.9379 1.3421 1.9565 1.7431 1.7907 0.9535 0.5171 0.6598 0.8656 1.8700 0.7832 0.6355 0.7078 2.3726 2.2503 1.9897 2.0209 2.2921 0.4576 0.8524 0.5830 0.8735 0.4226 0.5793 1.1425 0.4474 0.7470 1.0011 0.6663 0.6286 0.8450 1.1479 0.8149 0.7481 1.1449 0.7497 0.6132 1.4151 0.8148 1.3316 0.6761 0.7128 0.8031 0.9473 1.4341 0.9088 1.3922 1.1594 1.0724 1.1047 1.0847 0.9658 1.0046 1.3414 1.0777 1.3001 1.1784 1.3384 1.3011 0.3984 0.3683 0.5014 1.0900 1.0726 1.1589 1.1565 2.3687 1.4086 0.9760 2.5907 0.4035 0.5948 0.4004 1.0163 0.3473 1.4613 0.9714 0.8287 1.4196 0.6348 0.5892 hexanoylcarnitine (C6) 1.5874 1.5326 0.4893 1.0413 0.9013 0.6872 1.1157 1.2229 0.5728 0.4952 0.7667 1.8194 1.2782 1.2584 1.4050 1.1724 1.6036 0.5851 0.3051 0.9375 0.5347 0.7721 0.8912 1.2059 1.0254 0.6334 0.4848 1.0965 1.4663 1.0222 0.5739 1.1225 0.8422 0.8135 0.7729 1.4739 0.9198 1.0163 1.2386 1.0626 0.9669 1.0201 0.9994 0.8283 1.1188 0.9607 1.3625 0.9166 0.4720 0.9582 0.6752 1.0784 0.5872 1.4638 0.8147 1.4330 1.2748 0.3164 0.4509 0.6409 0.7945 1.0305 0.6505 0.8305 1.3270 1.6497 1.3187 1.4947 1.1356 1.0192 1.0470 0.6605 1.7302 1.0521 1.0679 0.9921 0.7690 1.3041 1.4884 0.8434 1.0443 0.4713 0.7573 1.0000 2.0238 1.6645 1.3191 1.1354 1.0751 1.5992 1.3504 1.4649 0.7588 0.7323 0.8290 1.1993 1.0421 0.6765 0.6858 0.8009 0.8136 0.8098 0.7698 0.6305 0.5484 0.8396 0.7410 0.3653 0.5918 2.4609 1.4467 0.9597 1.4731 1.3349 1.6143 2.0411 1.2547 1.4993 2.0183 1.1493 1.0376 1.4276 1.2547 1.3982 1.3193 1.0057 0.5016 1.2306 1.1803 0.5473 1.2615 0.8188 0.7343 1.2772 0.9932 0.7135 0.7063 0.8709 1.0555 1.2056 1.5067 0.7577 0.7019 0.7309 0.7693 1.3265 0.7510 1.1351 1.2183 1.4859 3.1489 1.4355 1.8846 1.1294 0.9943 1.0840 0.8588 1.6680 1.2594 1.1821 2.1387 0.8795 1.3040 0.8825 1.0878 0.6446 0.5834 0.3529 0.7113 0.5878 0.7631 0.4153 0.7351 0.9753 0.6706 1.2048 0.7959 0.3749 0.6480 1.1933 0.8639 0.7425 1.0678 0.6113 0.9731 0.5509 0.6377 hexanoylglutamine 1.0082 1.0067 0.1758 2.2817 2.0068 0.8843 0.5742 0.7149 0.1758 0.6834 1.0606 1.4002 0.1758 0.1758 0.7556 0.6311 0.5970 1.0832 0.1758 2.9917 0.2491 2.0121 0.4637 1.0033 1.0190 1.3417 0.5794 3.4733 1.3184 0.1758 0.4787 0.5664 1.0000 1.1119 0.7645 1.2486 0.2956 0.5757 0.8158 0.1758 0.3824 0.3416 0.4233 0.3811 0.5493 0.6572 1.1460 0.1758 0.1758 5.9604 6.1718 1.2825 2.8393 0.4364 2.7018 2.9785 0.3961 0.1758 0.1758 0.2266 0.1758 0.1758 0.1758 0.1758 0.7257 1.1729 0.8492 2.1989 0.8393 1.6141 4.0037 2.0634 1.2965 2.5458 1.0622 0.8288 0.3719 2.4822 1.2997 0.8302 2.6589 0.1758 0.9737 1.9451 0.9811 1.2599 1.6610 1.1821 0.5634 3.3017 1.1618 1.6005 0.5185 0.8529 0.8818 0.5565 0.4420 0.5340 1.0025 0.7138 2.0016 1.1359 1.0107 0.9087 0.6737 0.1758 1.3530 0.1758 0.1758 0.7058 0.4454 0.4004 0.1758 2.8767 2.3807 2.2554 3.4263 3.6832 5.3846 4.0598 2.1594 1.7501 3.9456 3.1818 4.0309 1.2908 0.2226 0.9423 3.7437 0.6953 1.3660 1.3159 0.3013 0.9223 0.9579 1.2423 0.3304 0.5828 1.6934 1.0706 0.9376 0.4972 0.6849 0.3070 0.1758 0.5457 0.6376 3.0382 2.9101 1.4959 4.1442 3.7637 2.5394 0.9163 0.6202 0.7740 0.5623 1.6549 0.9368 0.8233 1.5892 0.4314 0.8822 0.3727 0.5896 1.6758 1.6025 0.1758 0.1758 0.1758 0.5935 0.1758 0.2076 1.5914 0.6128 0.2209 0.9096 0.2521 0.9933 0.5958 2.8363 0.9933 10.0451 0.7743 2.0251 6.2934 3.2982 homoarginine 1.2622 1.2949 0.9849 1.0606 1.0313 0.9871 1.3416 1.3645 0.8272 0.6646 1.0213 1.2404 1.0954 1.2251 1.2745 1.2476 1.2264 0.3729 0.7604 0.8427 1.2257 0.6095 1.2599 0.7055 0.5330 0.4618 0.4530 0.5832 0.7644 1.2710 0.8639 1.0786 0.7220 1.0444 0.9709 1.9480 1.9362 1.9553 1.8372 1.8472 1.5856 1.0667 0.9485 0.9930 1.0000 0.8907 1.0375 1.1524 0.6076 0.7186 0.6537 1.0438 0.4169 1.3101 0.4435 0.8243 1.3417 0.6784 0.8482 1.0394 1.2383 1.0853 1.2655 0.8699 1.2475 0.9877 0.9087 0.9893 0.8055 0.9432 0.6305 0.6218 0.9708 0.5886 1.2494 0.6497 0.6048 0.6178 0.6194 0.6684 0.8862 0.6281 0.8728 0.6716 1.1970 1.1693 1.6795 1.4419 1.3828 1.7087 1.6291 1.7495 1.4550 0.9390 1.1077 1.5365 1.1953 0.7126 0.8269 0.6987 0.7177 0.8211 0.7697 1.1567 1.2295 1.5810 1.1457 1.1838 1.6134 1.1891 1.1604 0.8105 0.7031 0.4971 0.7793 0.7927 0.3308 0.5926 0.5613 0.6502 0.5914 0.6743 0.6231 0.6185 0.9098 1.3064 0.9989 1.4369 1.0787 0.7740 1.5429 0.8169 1.1709 1.4427 0.6815 0.8764 0.7877 1.2984 1.0093 0.6735 1.2330 0.8969 1.1887 1.3438 1.0346 1.4863 1.0905 0.8208 0.8507 0.7812 1.1186 0.6979 1.1506 1.9258 1.8738 1.9237 1.9184 2.0731 1.9523 1.0113 1.0855 1.0030 1.0469 1.0011 1.1858 0.8243 0.4432 0.6477 1.0213 1.0882 0.4329 0.5717 1.0211 0.6495 0.6302 0.9793 0.7970 1.1589 1.0382 1.9696 1.2340 1.3955 0.8536 0.8037 1.2200 0.6670 0.7920 homostachydrine* 1.8764 0.9067 1.4437 0.5572 1.0000 0.8233 2.8206 1.5452 1.9962 1.3090 1.3084 1.2989 1.2274 0.8676 1.2125 1.1626 1.6740 1.1345 1.5735 1.1215 2.0810 1.6219 2.0025 0.7245 1.0172 0.6846 1.0223 1.3090 1.6455 1.0183 0.7620 1.0206 0.7200 0.3738 0.4691 0.9371 0.9231 1.0932 1.2145 0.8473 1.0820 1.5728 0.6885 2.0797 1.4137 0.8242 1.1007 1.9163 1.7894 0.8916 0.8246 2.5020 0.5211 1.5921 0.9840 1.0932 1.6663 1.3935 1.0138 0.7017 1.1448 0.9392 1.2281 0.4741 0.8975 0.7973 1.0682 1.0320 1.1540 1.9747 1.2916 1.1539 1.8750 1.2348 2.9509 0.9287 0.8537 0.9889 1.2264 0.9576 0.7987 1.1727 0.7756 0.6707 1.4337 1.2066 0.9069 1.0046 1.2116 1.2714 1.0419 1.1814 1.7856 0.8149 0.9597 1.3942 1.1664 0.8276 0.8418 0.9692 1.0468 0.8314 1.0630 0.7241 0.5606 1.1796 0.9181 0.9703 1.3035 1.2719 1.4617 0.8343 0.6273 0.5302 0.8777 1.1606 0.7469 0.7456 0.7453 0.8487 0.9019 0.9954 0.8708 1.0521 0.6512 1.4331 1.3967 1.5070 0.9023 0.6189 0.9835 0.6351 0.7258 0.8080 0.7551 0.4623 0.7278 0.8729 0.4462 0.4194 0.8753 0.4018 0.3875 0.7597 0.5577 0.7646 0.3376 0.7961 0.7374 1.0237 1.4451 1.0057 1.2942 0.7504 0.7804 0.5925 0.8141 0.7133 0.8480 1.3211 1.5786 1.3180 1.6470 1.2617 2.3443 0.4135 0.4202 0.7319 0.7702 0.8554 1.1784 2.0678 3.1776 1.2887 1.2878 2.9274 0.5341 0.8306 0.6602 1.1048 0.5237 1.5076 0.7839 1.3403 1.5303 0.8304 0.9248 hydroxyasparagine 1.2265 1.1343 1.0269 0.7813 0.7796 0.8893 1.0208 1.3734 1.0054 0.8375 1.0212 0.8483 0.9072 0.5624 0.8075 0.9444 1.0323 0.5469 0.5956 0.6423 0.7505 0.5155 0.8541 0.9283 0.8643 0.7062 0.8001 0.9738 0.8474 1.5702 1.5531 1.3915 0.9385 0.8973 0.9968 1.2937 1.5084 1.3114 1.3048 1.0012 1.3037 1.2092 1.3442 1.0399 0.9863 1.0945 1.0793 0.8629 0.7329 0.4007 0.5260 0.8679 0.4304 1.3015 0.9025 0.9040 1.1731 0.8247 0.8933 0.9094 1.0939 0.9441 1.2482 0.8725 0.8899 1.0065 0.9892 0.9361 0.9060 1.1416 1.0873 0.8055 1.0818 0.9801 1.4023 1.2568 1.0930 0.9988 1.1392 1.2280 0.9166 1.1216 0.9418 0.6743 1.4440 1.4476 1.5304 1.6006 1.5095 1.7973 1.7285 1.5395 1.0313 0.7985 0.7481 1.0754 0.9422 1.3473 1.4356 1.3624 1.3301 1.4284 1.3730 0.6839 0.8511 0.9198 0.8193 0.9033 0.9771 1.4588 1.5534 1.5159 0.8562 1.0879 1.3185 1.0452 0.5426 0.7789 0.4007 1.1371 1.1299 1.0032 0.8660 1.1280 0.7008 1.2352 0.9118 1.0947 0.9540 0.8488 0.9722 0.6352 0.8590 0.9472 0.8840 0.9781 0.7947 1.2475 0.8593 0.8541 1.2812 0.6368 0.7111 0.7411 0.5531 0.9345 0.6653 1.3497 1.2982 1.3063 1.8167 1.3699 1.7167 1.4263 1.3931 1.3021 1.2623 1.2432 1.4465 1.1299 1.1933 1.1133 1.0745 1.1247 1.2573 0.8092 0.7270 0.9557 1.3149 1.3710 1.0655 1.4794 2.2563 1.4561 1.3390 2.0020 0.6213 0.8223 0.6356 1.1510 0.6989 0.9346 0.9962 0.9293 0.9545 0.6695 0.8558 hydroxy-CMPF* 0.8466 0.8080 1.0088 1.0447 1.0000 1.0012 2.1038 1.9263 2.0772 1.9092 2.0273 0.5156 0.5016 0.4892 0.5461 0.5065 0.5341 8.3364 8.9693 8.7262 7.9118 9.6104 8.1481 0.9623 0.8517 0.9674 0.9799 1.0257 0.9587 0.7497 0.7240 0.7412 0.7151 0.7165 0.7185 0.5798 0.5888 0.5652 0.5850 0.5544 0.4825 2.4658 2.4511 2.1906 2.3627 2.3397 2.2737 0.9145 0.9161 0.9767 0.9794 0.8647 0.8796 0.5454 0.5431 0.5061 0.5579 0.5288 0.9770 0.9499 0.8819 0.8114 0.8424 0.8440 0.0668 0.0737 0.0694 0.0712 0.0863 0.3833 0.3341 0.3126 0.3622 0.4593 0.4089 3.9916 3.8084 3.8959 3.6405 3.4673 0.8012 0.9077 0.8409 0.9749 0.8906 0.8102 1.3425 1.1084 0.9930 1.2307 1.1796 1.3878 7.0518 6.7541 6.9869 7.0409 7.4873 0.1117 0.1215 0.1197 0.1299 0.1422 0.1434 2.3827 2.2327 2.4889 2.5065 2.3382 2.5417 3.8276 4.1361 4.2715 3.8013 4.0414 4.0052 3.0925 3.5547 3.3641 3.3372 0.1918 0.2385 0.2470 0.1996 0.2139 1.3297 1.3446 1.3471 1.3520 1.2344 0.8285 1.0743 0.9634 1.0097 1.0070 0.8646 0.8492 0.8852 0.9240 1.0838 0.8387 0.9953 3.5203 3.3169 3.3139 3.2644 3.5220 3.2138 1.0997 0.9839 1.2334 1.0893 1.0879 0.9459 5.9028 6.3986 6.1903 5.8232 6.0315 6.6199 3.7749 3.9523 3.5369 4.0526 3.7388 3.9289 3.9105 3.3670 3.6752 3.3315 3.5428 0.6346 0.6820 0.6534 0.6928 0.7041 0.6541 1.6023 1.6620 1.5117 1.6120 1.4741 0.1092 0.0965 0.1184 0.1077 0.1046 0.1148 hydroxy-N6,N6,N6-trimethyllysine* 1.2884 0.3246 0.8799 0.3812 0.7143 0.8186 1.1377 1.0379 0.6923 0.4686 0.6791 1.3436 1.3513 0.4227 1.2043 1.3512 1.4687 0.4493 0.5459 0.5551 0.9020 0.5229 0.9431 1.0036 0.9022 0.6896 0.7213 0.9727 1.2940 1.5570 1.3466 1.4248 0.4746 0.8556 0.8032 1.0264 1.3598 1.2465 1.1897 1.0565 0.3779 2.0157 2.0207 1.9631 1.7325 1.9409 1.7018 1.4195 0.6769 0.6651 0.6368 1.3346 0.4702 1.0000 0.3728 0.5004 0.9498 0.6392 0.7941 0.8602 1.2078 0.8412 1.0900 0.6149 1.0132 1.0172 1.1360 0.9872 0.7884 0.6388 0.1070 0.6924 1.6531 0.7784 0.4371 1.4976 1.4610 1.0907 1.2575 0.3800 0.5637 0.9380 0.8271 0.5797 1.6484 1.7663 1.7244 1.7788 1.6811 1.7828 0.7730 1.8451 0.9248 0.5378 0.1987 0.9509 0.6871 1.3260 1.3125 1.0664 1.0757 1.5923 1.0935 0.6991 0.6816 1.5960 0.8532 1.0822 1.4465 2.1141 2.2452 1.4016 0.1070 0.9892 1.0889 1.5989 0.6015 0.6764 0.3981 1.2492 1.3066 1.2864 1.0445 1.2471 0.1070 0.8581 0.6354 0.9128 0.5734 0.5853 1.1671 0.5643 0.8024 1.2024 0.6513 0.7021 0.7778 1.4793 0.8529 0.5353 1.3548 0.4099 0.9287 0.3767 0.8455 1.3563 0.7585 1.3363 1.2686 1.6506 2.3883 1.4661 2.3538 1.5393 1.4452 1.4449 1.4034 1.4221 1.4261 1.3365 1.1120 1.5319 1.4063 1.3676 1.5938 0.6107 0.2758 0.5568 0.8509 1.0413 0.6158 0.5551 2.2770 0.9755 0.9500 2.2681 0.5635 0.7262 0.5819 1.1442 0.5683 1.2696 0.8268 1.4447 1.0108 0.5178 0.6504 imidazole lactate 1.1166 0.9381 0.9406 0.8503 0.7945 0.7861 1.1727 0.9812 1.1184 0.8865 1.0730 1.6691 1.6484 1.5518 1.4137 1.6487 1.7771 0.7445 0.7474 0.9608 0.6465 0.8001 0.9040 0.6905 0.8094 0.6166 0.6495 0.6532 0.8323 1.2648 1.5225 1.2248 0.9281 1.1007 1.0203 0.9354 0.8482 0.9557 0.7977 0.6671 0.7403 1.3606 1.2171 1.2514 1.2740 1.2872 1.5975 0.9179 0.8836 0.9438 0.8519 0.9547 0.9838 0.9445 0.9540 1.0268 1.1783 0.9414 2.5596 2.2563 2.7873 2.0645 2.2460 2.1482 1.0225 0.8540 0.9502 0.9372 0.7272 0.7672 0.6614 0.7636 0.8340 0.8937 0.7564 0.9399 0.9957 0.9968 1.0668 1.1802 1.2024 1.2627 1.3646 1.0675 1.4785 1.5408 2.0276 1.7747 1.9055 2.1745 1.9856 2.3417 0.9928 0.9980 0.7500 1.1535 1.0510 1.1552 1.0536 1.1814 1.2967 1.2766 1.3256 0.9077 0.8631 0.8731 0.9800 0.9425 0.8483 1.2974 1.0921 1.1705 1.0621 0.9748 0.9257 0.7031 0.7109 0.7405 0.6721 1.0020 0.9812 1.0521 0.9520 1.1020 0.4026 0.5363 0.4819 0.4617 0.5579 1.5244 1.9167 1.5453 1.8071 1.9548 1.5652 1.0440 1.0000 1.2382 1.2006 1.1738 1.2901 1.0288 1.1082 0.9773 1.1884 1.2614 1.0812 0.8045 0.7470 0.8471 0.9390 0.7515 0.8655 0.7485 0.8238 0.8158 0.7914 0.9220 0.8960 0.7062 0.7901 0.8705 0.8373 0.9145 0.9231 1.1383 1.2561 1.3038 1.3716 1.3886 0.9441 0.8141 1.0702 0.8923 0.9049 1.1156 1.3120 1.1987 1.3045 1.4418 1.2896 2.1762 1.8843 1.8665 1.9638 1.6041 1.9257 iminodiacetate (IDA) 0.6570 0.6170 0.5569 0.5541 0.4723 0.6016 0.5102 0.6264 0.4857 0.4916 0.6354 0.4867 0.4436 0.5197 0.6094 0.5362 0.5149 0.5151 0.6684 0.4860 0.7933 0.4901 0.7114 0.5906 0.5645 0.5956 0.8073 0.6197 0.6944 0.5858 0.5765 0.8260 1.4143 0.7230 1.4948 0.5070 0.5233 0.4885 1.5390 2.4523 1.2001 0.7696 0.5827 0.5769 0.6312 0.7575 0.4699 1.3525 1.0501 1.5199 1.1156 1.0340 1.0015 1.0864 0.9999 1.0832 1.0775 0.9638 1.1226 1.2417 1.1405 1.1088 1.0686 0.9952 1.1103 1.1277 1.1209 1.1753 1.1533 1.1958 1.3191 1.0000 1.0946 1.2440 1.2218 1.1281 1.2479 1.8578 1.1919 0.9826 1.1454 1.1615 1.0786 0.9515 1.2672 1.0906 1.1609 1.3974 1.1458 0.9929 1.0245 0.9789 0.9502 1.0206 1.0001 0.9486 0.9341 1.1554 0.9472 1.0308 1.0126 0.9740 1.1115 1.0855 1.1342 1.2646 1.0435 1.0483 1.2304 1.2826 0.9599 1.0681 1.0138 1.5000 1.0263 0.9751 1.1355 0.9632 1.1399 1.0094 1.0680 1.0722 1.6417 0.9877 1.7221 0.8554 0.9305 0.9470 0.9736 1.0984 1.4271 1.0974 1.1361 1.1590 1.1628 0.8902 1.0325 0.9000 0.9010 0.9964 0.9775 1.1076 1.0860 1.0850 1.0779 1.0429 1.0799 0.8245 0.9037 1.0579 0.9020 0.8403 0.9790 1.0544 0.9484 0.8854 1.0783 0.9415 1.0371 0.9149 0.9648 0.9338 0.9082 1.0347 1.0150 0.9028 1.0336 0.8594 0.8969 0.9481 0.8459 1.0088 1.0097 1.0466 0.8781 1.0206 1.0129 0.9558 1.0480 0.9405 0.8791 0.7398 1.0412 0.8545 0.7745 0.8966 0.7884 indolin-2-one 0.3497 0.3497 0.7473 0.3497 0.3497 0.3997 1.3813 1.3086 1.8667 0.3497 1.8093 1.5977 1.1665 1.5609 1.6270 0.3497 1.0807 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.8695 0.9333 0.8689 0.4326 0.3497 0.4605 0.7143 0.3497 0.9800 0.3497 0.7599 1.5256 1.1072 1.0831 1.1413 0.8120 1.9492 1.8036 1.9200 1.3840 2.0173 0.3497 0.8843 0.3497 0.3497 0.9038 0.5388 1.0330 0.9212 1.1178 0.3497 0.8001 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.6848 0.3497 0.5452 0.3497 0.6806 0.8141 0.7235 1.0633 0.8669 0.3497 0.3497 0.8965 0.3497 0.3497 0.3497 0.3497 0.3497 0.8262 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 2.3869 1.0000 1.2758 1.9682 2.0346 1.8710 0.4986 0.9172 0.7595 0.3497 0.7944 0.8003 1.1147 1.4869 1.2220 1.6232 0.3497 0.4415 0.3497 0.3497 0.8254 0.3497 0.4997 1.3649 1.0079 0.3497 0.5846 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 0.3497 1.0200 0.8302 0.5727 0.5568 0.3497 0.4469 0.3497 1.2184 1.3345 1.7264 2.4299 0.7889 0.5031 0.6177 0.3497 0.3497 0.3497 0.3497 0.3497 1.0410 0.3497 0.7297 0.3497 0.3497 0.3497 0.3497 1.0926 0.3497 0.3497 0.9505 0.3497 0.3497 1.0257 2.0056 1.1710 0.3497 1.5860 1.6064 0.3497 1.6288 1.2253 0.3497 0.3497 0.3497 0.3497 0.5438 0.3497 0.3497 0.8381 0.7996 0.3497 0.3497 isobutyrylcarnitine (C4) 0.8905 0.8619 0.8512 1.4388 1.6208 1.5979 0.9461 0.8454 0.6452 0.7711 1.1482 0.6236 0.8307 0.8478 0.6914 0.7925 0.7633 1.1734 0.7066 0.8037 1.1077 1.3977 0.8534 0.6295 0.4780 0.5371 0.3405 0.7387 0.4661 1.2030 0.9207 1.0014 1.5229 0.9985 1.5506 0.8840 1.1109 1.0541 0.9749 1.7831 1.3190 1.2843 1.1574 1.2632 1.0688 1.1235 1.0000 1.0740 0.8055 0.8443 1.0218 0.9413 0.7472 1.0464 1.3532 0.9878 1.1472 0.9772 1.4873 2.2131 2.4240 2.4472 2.4078 2.2490 0.9050 0.8773 0.7339 0.6143 0.6196 0.2855 0.6413 0.5873 0.4380 0.7808 0.4880 0.8908 1.6755 1.0441 1.0458 1.2860 0.9892 0.5572 1.0782 1.5512 0.8681 0.6706 1.2720 1.5111 2.0363 1.6435 1.6955 1.8420 0.9866 0.9676 1.1292 1.3570 0.8456 0.3908 0.4626 0.4213 0.4255 0.6141 0.4750 2.0397 1.4355 1.8470 2.0760 1.6683 1.4686 1.8235 1.7003 1.6137 1.5644 1.3201 1.7657 0.9952 1.3209 1.0631 1.4896 0.9021 1.1354 1.0405 0.5295 0.7499 0.8207 0.5777 0.6197 0.5856 0.8063 1.1011 0.9205 0.8205 0.9986 1.0084 1.2093 0.5894 0.5524 0.7046 0.7828 0.7177 0.7921 1.1644 0.9642 1.1744 1.3344 1.8221 1.5338 0.9164 1.4283 0.8262 0.9950 1.0957 0.8616 1.4424 2.5535 2.1507 2.6310 1.6472 2.4424 0.7910 0.9377 1.4108 1.3301 1.2187 1.6586 1.3892 0.8609 0.9252 1.4669 1.4623 1.4735 1.3089 2.4359 2.0614 1.6493 2.2846 1.0717 0.8360 1.0731 0.6570 0.9197 0.5853 0.6724 0.5395 0.6306 0.6391 0.4745 isoleucine 1.0717 1.0009 0.6068 0.9490 0.8281 0.9292 1.1690 1.1412 0.7314 0.9144 1.2278 1.5122 1.8613 2.0878 1.6045 1.8438 1.8109 0.7228 0.5026 1.0298 0.8337 0.8691 0.9304 0.7609 0.7794 0.7358 0.5455 0.9158 0.7688 1.2966 0.7321 1.2879 0.8661 1.0654 0.9051 1.2375 1.0871 1.1440 1.0506 1.1068 1.0169 1.2199 1.1662 1.2711 1.0161 1.1953 1.0216 0.8643 0.4936 1.0181 0.8534 0.9137 0.6564 0.9214 0.8503 0.9583 0.9416 0.5128 0.6860 1.2542 1.2350 1.1620 1.2736 1.0699 1.0130 1.0416 1.0053 0.8975 1.0835 0.7638 1.0680 0.9434 1.0195 1.0429 0.9082 0.9503 0.8952 0.7398 0.8722 0.8715 0.8058 0.5557 0.8167 0.7206 0.9796 1.0664 1.4099 1.3346 1.3291 1.1374 1.3209 1.4041 0.8239 0.9225 0.9523 0.9625 0.8046 1.0728 1.1294 1.1045 1.0887 1.2487 1.1143 1.1436 1.3891 1.3827 1.2187 0.9009 1.3332 1.0102 0.8832 0.8294 0.8668 0.6546 0.7920 0.9743 0.8309 1.0860 0.8997 0.7872 0.7639 0.6539 0.6687 0.7459 1.0020 0.9707 0.6665 1.0638 1.1576 1.0747 0.9425 1.1003 0.8418 1.0215 1.1393 0.9563 0.7152 1.1174 1.1521 1.0276 1.0414 1.1897 1.2651 1.2058 0.7399 1.3080 1.1644 1.0000 1.0378 0.7075 1.1364 0.9712 1.0899 1.0859 1.0625 1.0568 1.0848 1.0274 1.0973 0.9583 1.0159 1.0245 0.9736 0.9772 1.0090 0.7311 0.6514 0.6371 1.0062 0.9980 0.7640 0.6332 1.0629 1.0284 0.8589 1.0620 0.5815 0.6414 0.5736 0.8065 0.8146 0.8796 1.2126 0.6468 0.9265 0.9577 0.8763 isovalerylcarnitine (C5) 0.9904 0.9055 0.7274 0.9525 1.0881 1.1184 1.1613 1.1568 0.7099 0.9950 1.3800 0.5913 1.1073 1.2394 0.9854 1.1282 1.1008 1.2588 1.3912 1.8179 1.7381 1.7395 1.7608 0.8797 0.9026 0.6945 0.5581 0.7777 0.6208 1.3472 1.0174 1.1347 1.6496 1.6104 1.1830 0.9858 1.1037 0.8589 1.3169 1.2397 1.7102 1.0313 0.9832 1.0396 1.0752 1.1467 1.3438 0.9356 0.3495 0.9479 0.7949 0.6878 0.5405 0.8831 0.5333 0.9048 0.8184 0.5537 1.3232 1.8695 1.7020 1.5886 2.1039 1.7154 0.5690 0.6422 0.4600 0.5965 0.7103 0.8581 1.6776 2.0420 1.0454 1.8561 1.0784 1.0856 1.3866 2.4787 1.1651 0.7543 0.9039 0.9361 1.2528 0.9092 1.2899 0.8838 1.3319 1.7086 1.3584 1.4756 1.5165 1.7838 1.0009 0.8596 1.2336 1.0871 1.0524 0.9666 0.6138 0.5559 0.4390 0.5896 0.5337 1.4095 1.3670 1.6142 1.3577 1.2495 1.1758 0.6968 0.6531 0.7522 0.9288 1.0201 0.8343 0.5175 0.6577 0.5231 0.6066 0.6659 0.9991 0.7652 0.9116 0.5361 1.4170 0.9162 1.0500 1.0937 1.0098 1.4991 1.4414 1.1027 1.0200 1.1448 1.5487 0.7895 0.5743 0.9296 0.8240 0.7338 0.9569 1.0139 1.5616 1.4522 0.8430 1.5978 1.4598 0.8113 0.9886 0.7433 0.8884 0.8588 0.8160 0.7614 1.1079 0.8425 1.0516 0.8153 1.0836 0.3954 0.3867 0.5663 0.6545 0.4119 0.6076 0.6220 0.8195 0.5975 0.9082 1.0717 0.9389 0.8460 1.8471 1.9210 1.3017 1.6543 1.4466 0.9223 1.7290 2.1608 2.2951 1.0058 1.0292 1.0000 0.8572 0.6435 0.6843 kynurenine 0.6011 0.7034 0.7019 0.7425 0.7977 0.9472 0.8474 0.8378 1.0074 1.0261 1.2123 0.7676 1.0009 1.1952 1.0311 0.9481 1.0816 0.6293 0.6401 0.7606 0.5394 0.8527 0.5606 0.7769 0.7527 1.1037 0.9696 0.8981 0.7973 1.0884 1.2202 1.2221 1.1979 1.4124 1.3681 0.7745 0.9521 1.0037 0.9177 0.8670 1.0777 0.8548 0.8237 0.7877 0.8519 0.7856 0.8151 0.7214 0.8941 0.9583 0.9193 0.7663 0.7316 0.9536 0.9951 0.9647 0.9930 1.1331 1.2978 1.5818 1.3008 1.3802 1.0577 1.3331 0.8056 0.8873 0.8214 0.7392 0.7690 0.8956 1.1421 1.0468 0.7960 1.0533 1.1906 1.1960 1.0753 0.8536 0.9774 1.3747 1.2749 1.1656 1.8019 1.1430 1.0622 1.0373 1.2775 1.1648 1.1756 1.1775 1.4071 1.1850 1.1735 1.2668 1.7550 1.2034 1.1714 0.9977 1.0737 1.0638 0.9493 1.1361 1.0677 0.7586 0.8930 0.6687 0.7819 0.7050 0.5954 0.8299 1.1058 1.1443 1.5835 1.1009 1.3241 0.5427 0.6670 0.7068 0.8167 0.7560 0.9211 0.7590 0.8556 0.8496 1.3929 1.1514 1.2591 1.0552 1.4143 0.8295 0.7136 0.8059 0.8085 0.6701 0.7846 0.8685 0.8242 0.7146 0.8984 0.7323 0.8540 1.0926 1.0000 1.0513 0.9455 0.8590 1.1170 1.4653 1.2861 0.9994 1.0509 1.2776 1.0793 0.9866 1.0023 1.0357 1.1201 0.9569 1.1063 0.7836 0.6611 0.8079 0.7150 0.7983 0.8005 1.0775 0.7464 1.1136 1.1504 1.1317 1.5222 1.4564 1.4458 1.5859 1.7760 1.3833 1.5069 1.2978 1.6692 1.0919 1.5451 0.9170 1.2285 1.0795 1.0599 1.1640 1.1749 lanthionine 0.8571 0.3737 0.6629 0.8540 0.5558 1.1920 1.0760 0.6754 0.3737 0.8647 0.3737 0.6816 1.3055 0.3737 0.3737 2.2006 0.3737 0.5937 0.3737 0.3737 0.3737 0.3737 0.3737 0.7619 0.3737 0.9102 0.3737 0.9583 0.9235 1.2814 1.6500 0.9632 0.3737 1.3056 0.3737 0.3737 0.8861 0.8726 0.9148 1.0993 0.3737 1.3143 0.9355 0.3737 0.9159 1.3159 0.7643 0.8872 0.3737 0.3737 0.8004 0.4771 0.3737 1.0413 0.3737 0.8901 0.7898 0.6679 0.3737 1.1590 0.3737 0.6649 1.4057 0.3737 0.3737 0.3737 0.3737 0.3737 0.3737 0.9189 0.3737 1.1487 0.8455 0.8992 0.3737 1.3469 1.8135 1.2206 1.8450 1.4553 0.7522 0.3737 1.4357 0.3737 0.3737 0.3737 1.5126 1.4272 1.7256 1.1435 1.2691 1.5388 0.3737 0.3737 0.4281 0.7714 1.0368 0.3737 0.3737 1.2117 0.3737 2.3248 0.3737 0.6991 1.0152 0.9237 0.9324 1.0355 1.5537 1.0210 1.0632 1.4031 1.3150 1.2457 1.0952 0.8473 0.3737 2.1466 0.3737 0.8697 1.6039 0.3737 0.3737 0.3737 0.3737 0.7262 0.3737 0.3737 1.0777 0.3737 0.8144 0.3737 0.3737 0.8458 0.3737 0.3737 0.9124 0.9896 0.7155 0.5770 0.8033 0.3737 1.8248 0.3737 0.8604 0.9737 0.5697 1.3069 0.3737 1.4026 0.3737 0.3737 1.0162 0.3737 0.3737 0.3737 1.4777 0.3737 0.3737 0.3737 0.9440 1.6542 0.7497 0.3737 0.7555 0.3737 0.3737 0.3737 0.3737 1.2338 1.0624 0.3737 1.0104 1.1716 1.5906 1.3665 0.3737 0.7562 0.3737 0.3737 0.6726 0.3737 0.3737 0.3737 0.3737 0.3737 1.2594 leucine 1.0063 1.0000 0.5636 0.7349 0.6680 0.8105 1.1857 1.0554 0.8022 0.8256 1.0354 1.2951 1.4241 1.5351 1.4369 1.5201 1.5518 0.7080 0.5671 1.0003 0.9770 0.8269 1.0644 0.8266 0.8437 0.7390 0.5480 0.9681 0.8522 1.1217 0.7541 1.1155 0.8619 0.9889 1.0371 1.1786 1.0986 1.1054 1.0609 1.1445 1.0487 1.2764 1.3585 1.0890 1.1608 1.2472 1.3179 0.9472 0.4662 0.8299 0.6838 0.9762 0.5324 1.0197 0.8084 0.8948 0.9621 0.5373 0.7127 1.1528 1.2623 1.1922 1.2778 1.0845 0.9597 1.0857 0.9094 0.7818 0.8505 0.8058 1.1815 0.8626 1.0420 1.0339 1.0429 1.1131 0.8942 0.8127 1.0396 0.8938 0.6789 0.5911 0.7725 0.6550 0.9527 1.0367 1.4030 1.1712 1.3221 1.2859 1.3749 1.4108 0.9575 0.9134 0.9964 1.0679 0.8509 1.2707 1.0638 1.2408 1.2821 1.1635 1.0088 1.0765 1.2320 1.3667 1.1075 0.8968 1.3718 1.0527 1.0786 0.7984 0.8049 0.6605 0.8140 0.9849 0.8638 0.9889 0.9850 0.6346 0.5703 0.5984 0.5158 0.4963 1.0046 0.9858 0.6624 1.1132 1.1072 1.2638 1.0506 0.9508 0.9202 1.0973 1.1389 0.9322 0.7260 1.0131 1.1626 0.9199 1.0074 1.1048 1.0817 1.2006 0.6202 1.1751 1.0046 0.9106 1.0192 0.7516 1.1311 1.0242 1.1150 1.1394 1.1033 1.1025 1.1257 1.1210 1.1679 1.0229 0.9444 1.0228 1.0329 0.9997 1.1464 0.6918 0.5910 0.6195 0.8478 0.9967 0.7592 0.6517 1.3372 0.8803 0.8698 1.1284 0.5730 0.6663 0.5511 0.8040 0.8523 0.8324 1.2188 0.6624 0.8596 0.8624 0.8241 leucylalanine 0.6588 0.1001 0.6417 1.0065 0.8909 1.1840 0.1001 0.4611 0.5363 0.8863 1.5830 1.7066 2.0871 1.3084 1.4630 2.7155 1.9614 0.6116 0.3625 1.0593 0.6697 0.7702 0.4363 1.4697 0.5392 1.2432 0.3816 1.5710 1.4280 0.6854 0.1001 1.0733 0.8106 1.7169 1.1033 1.6591 0.1001 0.3466 0.7606 0.1001 0.7688 1.5193 0.1001 1.1181 0.7303 0.7559 2.0588 0.9199 0.6338 1.4877 1.5535 0.1001 0.1001 0.9278 0.8295 1.2372 0.8478 0.3468 0.7550 1.5775 0.1001 0.8058 0.7190 0.6848 0.3413 0.6872 0.9375 1.7639 1.1016 1.3201 1.3434 1.5327 1.9976 1.0511 1.1172 0.1001 0.9711 0.5910 1.3299 0.6502 1.2301 0.6172 1.6376 0.7441 0.7232 0.5670 0.1001 1.1596 0.8633 2.0374 0.4014 1.0638 0.4664 0.9279 1.1283 0.4724 0.7133 1.3179 1.2573 1.1561 2.5734 1.5145 1.6709 1.1599 2.0796 0.8785 1.2098 1.3963 1.0029 1.0565 0.5167 1.1327 1.6742 1.1186 2.1823 0.6032 0.6389 1.6422 0.9971 2.1166 0.9876 2.2067 0.6509 1.5253 0.9954 1.1542 0.1001 0.7111 1.4322 1.0046 1.2233 1.2914 0.7874 1.4696 0.5903 1.3587 0.3097 0.7680 1.0299 0.1001 0.8657 0.9616 2.2738 0.3945 0.9676 1.5557 1.5611 1.8975 1.8916 1.1378 1.2019 1.2353 0.6371 1.2537 0.8962 0.1001 0.6939 1.3827 1.6891 0.7413 2.0855 0.1001 1.3331 1.0850 0.7860 1.0948 0.1001 0.3418 0.7075 0.1001 0.6269 0.7252 0.3428 1.4538 0.6504 0.6907 0.6087 0.6960 0.7902 0.1001 0.8715 0.3510 1.0407 0.4136 0.8493 0.6523 0.6623 lysine 1.3347 1.2439 0.7974 0.7715 0.5899 0.6509 1.3311 1.3201 0.7729 0.7096 0.8848 1.2170 1.1368 1.2583 1.1015 1.1711 1.1584 0.4496 0.4935 0.4487 0.9812 0.4447 0.9948 0.9899 1.0629 0.6337 0.6872 1.0052 1.1372 1.1889 0.7207 1.1893 0.6614 0.6981 0.7053 1.2566 1.3961 1.3854 1.3145 1.3192 1.4409 1.5617 1.2723 1.4720 1.3310 1.1106 1.3716 1.3770 0.7494 0.4467 0.5558 1.2461 0.4792 1.0110 0.5976 0.5690 1.0632 0.5199 0.6302 0.7129 1.1017 0.8714 1.0709 0.7639 1.1537 1.1821 1.0912 1.0944 1.0284 1.2049 0.9237 0.6704 1.3935 1.0000 1.5751 1.3737 1.3919 1.1524 1.1911 1.7244 0.7327 0.7061 0.5923 0.6933 1.3577 1.3508 1.0785 1.0313 0.9736 1.0495 1.1381 1.1908 0.9861 0.7623 0.8195 1.0602 0.7958 1.3382 1.1486 1.3395 1.2239 1.1707 1.2811 0.7789 0.8285 1.2736 0.8956 0.9458 1.2651 1.4005 1.2919 0.7447 0.3451 0.5880 0.7792 1.2566 0.6949 0.5674 0.7059 0.7084 0.6600 0.6351 0.6729 0.7120 0.8970 0.9512 0.7754 1.0874 0.6820 0.7910 0.9044 0.6065 0.7217 1.0458 0.8372 0.8113 0.9199 1.2858 0.9666 0.8814 1.2656 0.8566 0.8490 1.3445 0.7958 1.4773 0.8360 0.8500 0.8649 0.8987 1.3155 0.9429 1.4424 1.2862 1.2895 1.3371 1.2542 1.4357 1.4041 1.1366 1.0808 1.1510 1.1806 1.1957 1.2594 0.4761 0.4668 0.5696 1.2354 1.0505 0.8202 0.8572 1.5699 1.2442 0.8128 1.6916 0.5958 0.7227 0.6680 1.1757 0.5574 1.2948 0.9609 0.6302 1.1758 0.6210 0.5548 methionine 1.4044 1.1339 0.7557 0.8485 0.5602 0.4980 1.1968 1.1632 0.5885 0.6408 0.6492 1.3490 1.5558 1.7158 1.3920 1.5634 1.4842 0.6266 0.5057 0.5768 1.1546 0.6278 1.2134 0.9220 1.1070 0.4478 0.5815 0.8615 1.0426 1.1036 0.5964 1.1031 0.6974 0.5092 0.7602 1.0346 1.2051 1.2215 1.2280 1.1590 1.0445 1.3361 1.1384 1.2592 1.1227 1.1518 1.0568 1.2515 0.4651 0.4797 0.6333 1.2028 0.5575 0.9769 0.6050 0.4444 1.0607 0.4421 0.6486 0.6754 1.3389 1.0589 1.2483 0.9369 1.1785 1.1895 1.1798 1.0022 1.2014 0.8491 0.5314 0.4323 1.1207 0.8301 1.1348 1.3242 1.2882 0.9866 1.1050 1.1873 0.7105 0.4896 0.5006 0.6152 1.2174 1.2159 1.3206 1.2600 1.0932 1.0862 1.1846 1.2766 0.9978 0.8107 0.7167 1.0850 0.7781 0.9937 1.0036 0.9838 0.9337 1.1028 1.0092 1.0784 0.8457 1.6082 1.2032 0.9361 1.5702 1.2222 1.0724 0.6415 0.3672 0.5383 0.6671 1.1943 0.6301 0.5134 0.6016 0.9609 0.9727 0.8212 0.8479 0.9625 0.6150 1.0566 0.6491 1.1149 0.5910 0.9148 1.1552 0.5189 0.7842 1.2142 0.9200 0.6561 0.7688 1.2468 1.0147 0.9079 1.2532 0.7159 0.5803 1.2999 0.7196 1.3954 0.7325 0.6890 0.7957 0.8116 1.1532 0.8891 1.1445 1.2642 1.2663 1.3242 1.1614 1.2206 1.3121 1.1287 0.9826 1.1580 1.0857 1.1347 1.2227 0.5311 0.5049 0.4126 1.1520 1.1101 0.7112 0.5123 1.0295 0.9013 0.6465 1.2154 0.5479 0.5002 0.5685 1.0268 0.4334 1.2561 1.0000 0.6053 1.1392 0.6913 0.6487 methionine sulfone 0.9028 0.7970 0.5916 0.6145 0.6845 0.6301 1.0582 1.0802 0.6597 0.7313 0.8039 1.0433 1.0374 0.7971 0.9764 1.0744 0.9386 0.7489 0.7156 0.8308 0.9047 0.8333 1.1732 1.2456 1.2414 0.9291 0.8453 1.5811 1.6012 0.8722 0.8188 1.1103 0.7154 0.7443 0.8031 1.0821 1.0136 1.0000 1.0666 0.8840 0.8804 1.4136 1.2682 1.1968 1.2568 1.1983 1.3092 1.0330 0.4647 0.5990 0.6470 1.0314 0.5309 0.7969 0.4758 0.6213 0.7672 0.4025 0.6836 0.7629 0.9816 0.9366 0.9991 0.7819 0.5921 0.5807 0.4959 0.5194 0.5896 0.6916 0.5403 0.5766 0.7868 0.7936 0.7153 1.3571 1.4254 1.4199 1.4444 1.4331 0.8857 0.7026 0.7867 0.7826 1.2921 1.1691 1.8276 1.4672 1.3879 2.0008 1.5750 1.8738 2.0429 1.8231 1.5603 2.2473 2.0207 1.6001 1.7415 1.6878 1.7722 1.8495 1.7655 1.5725 1.3231 1.8958 1.6373 1.4464 1.6681 2.1265 1.9550 1.4231 1.2721 1.4910 1.7437 0.9825 0.7617 0.6917 0.6889 2.1541 1.7993 1.7727 1.7084 1.9154 0.4989 1.1407 0.6508 1.0697 0.7796 1.0245 1.1437 1.0009 0.9797 1.1548 0.8961 0.3910 0.3328 0.5213 0.4821 0.3807 0.5627 0.5597 0.5865 0.4983 0.4461 0.7268 0.6189 1.3613 1.3876 1.5462 1.6420 1.6191 1.6600 0.5813 0.5185 0.6367 0.5933 0.6530 0.5605 2.9294 3.1074 3.1193 3.0686 2.7686 3.2386 0.7351 0.5977 0.7108 1.0986 1.1121 1.1985 1.1328 1.9208 1.6351 1.2741 2.0637 0.4436 0.5231 0.4750 0.8380 0.5279 1.4478 1.2788 0.9908 1.4887 0.9289 1.0205 methionine sulfoxide 1.3720 1.6345 0.8122 0.7500 0.6881 0.6294 1.0816 1.0666 0.5945 0.6113 0.7963 0.9756 1.6760 3.1957 1.4313 1.6888 1.3706 0.6627 0.5622 0.5308 1.0925 0.5884 1.0350 1.1903 1.3016 0.8253 0.6834 1.0207 1.1089 1.7778 0.6701 1.1820 0.7335 0.6724 0.7764 1.0971 1.3175 1.3244 1.3413 1.1391 1.5627 1.3472 1.3577 1.3284 1.1872 1.4711 1.3318 1.3296 0.5368 0.5671 0.7930 1.4289 0.6500 1.1800 0.7534 0.7465 1.2043 0.4606 0.6877 0.9170 1.5271 1.3117 1.4269 0.9735 1.1132 1.2688 1.1351 1.1185 1.1874 0.8507 0.8085 0.4579 1.1493 0.9836 1.6154 1.6374 1.4274 0.8996 1.4993 2.0176 0.6674 0.5098 0.7894 0.6492 1.1949 1.1587 1.2173 0.9984 1.2676 1.0802 1.3848 1.1131 0.9888 0.7767 0.9939 1.0486 0.6633 1.0860 1.0383 0.9756 0.6819 1.0917 0.9710 1.0000 1.0097 1.7714 1.2267 0.8824 1.6260 1.0561 1.2201 0.6678 0.7262 0.5544 0.8320 1.3053 0.8060 0.7414 0.8728 0.9531 0.9713 0.8458 0.6095 0.8854 0.8177 0.9652 0.5270 0.8315 0.5853 0.8536 1.0016 0.5877 0.7514 1.0643 0.8089 0.8416 0.6550 0.9669 1.0084 0.7917 0.9919 0.8030 0.6268 1.4320 0.7298 1.3338 0.8484 0.8511 1.0019 0.9753 1.4817 1.0236 1.5205 1.2367 1.3461 1.1168 1.2995 1.0788 1.0885 1.4518 0.8941 1.4056 1.0533 1.2251 1.3754 0.6153 0.5234 0.4880 1.2231 1.4124 0.8628 0.6200 1.5171 0.9710 0.7366 1.3108 0.5895 0.5140 0.6526 1.0760 0.6168 1.2346 1.2473 0.7616 1.3188 0.7060 0.6539 methyl indole-3-acetate 0.5839 0.2905 0.2905 0.7588 1.0189 1.3416 0.2905 1.1656 0.2905 0.2905 0.8499 0.8796 0.9518 0.2905 0.2905 0.8132 0.2905 0.2905 0.2905 0.2905 0.2905 0.2905 0.2905 0.7283 0.2905 0.2905 0.2905 0.7119 0.7568 1.0739 0.6125 0.8461 0.2905 1.2851 0.2905 0.2905 1.0036 0.7417 0.2905 0.2905 0.2905 6.0136 4.1755 3.0816 2.4241 4.6626 1.8090 0.2905 0.2905 1.2055 0.9618 0.9890 0.2905 0.7303 0.3615 0.3995 0.7954 0.2905 0.5820 1.4635 1.1126 1.5851 1.4347 1.4929 0.2905 0.2905 0.2905 0.2905 0.2905 0.2905 0.2905 0.2905 0.2905 0.7510 0.2905 0.4433 0.2905 0.2905 0.2905 0.2905 1.0627 0.2905 0.2905 0.6647 0.2905 0.8861 0.2905 0.2905 1.1244 1.1267 1.2155 1.1278 0.7043 0.5863 0.2905 0.6911 0.2905 0.2905 1.2205 0.9734 0.2905 1.6202 0.5162 0.2905 1.5263 1.5325 0.2905 0.6346 0.9688 0.2905 0.2905 0.9964 1.6509 0.2905 0.7558 0.2905 0.2905 0.2905 0.2905 0.2905 0.2905 0.2905 0.2905 0.2953 0.2905 2.4998 0.5135 0.6124 0.2905 0.7113 1.2471 1.5067 0.2905 1.0266 0.7230 0.2905 0.2905 0.2905 0.6915 0.6925 0.8229 1.8083 3.0830 2.2450 1.7032 3.7925 1.7861 0.8381 0.8805 0.6983 1.7119 1.5528 0.2905 0.2905 1.3764 0.4671 0.2905 0.2905 0.5593 1.0735 1.6047 1.1209 1.5824 0.6481 1.0488 1.0308 0.2905 0.2905 0.2905 0.2905 1.0907 0.9915 1.7658 1.0164 0.9337 1.4013 0.2905 0.6379 0.2905 1.0303 0.6339 0.2905 0.8427 0.2905 0.2905 0.2905 0.2905 N,N,N-trimethyl-5-aminovalerate 1.4489 1.5243 1.1971 0.8653 0.9979 1.0525 1.6899 1.7279 1.3150 0.9833 1.1903 1.7325 1.7801 1.6145 1.9564 1.9219 1.8800 0.6177 0.7589 0.6021 0.9686 0.6859 1.1053 0.9474 0.9020 0.7530 0.9519 0.8647 1.2526 1.3190 1.2342 1.5091 0.9583 0.9587 0.9149 0.8388 0.8489 0.8383 0.9337 0.8074 0.7790 1.0908 0.9334 0.9297 0.9331 0.9139 0.9174 1.0690 0.8287 0.5953 0.6209 1.0968 0.5279 0.9637 0.5630 0.6208 0.9541 0.6537 1.0556 1.0021 1.4354 1.1965 1.4826 0.9984 1.0270 1.1331 1.0643 1.0996 1.0162 0.8177 0.5687 0.5993 0.9222 0.5643 0.9142 2.1595 1.7281 1.7433 1.7914 1.9363 0.7314 1.0050 0.9767 0.7738 1.5162 1.5211 1.2720 1.1896 1.2108 1.5034 1.1098 1.3345 0.7753 0.6123 0.5341 0.9069 0.7025 0.9887 0.9368 0.9970 0.8962 0.8869 0.9900 0.8695 0.9636 1.5073 1.0171 1.1267 1.2858 1.3919 1.4265 1.2599 0.9233 0.8202 1.0130 1.2117 0.7795 0.7531 0.7206 1.0395 1.0574 1.1293 0.9647 1.0710 0.7313 1.1132 1.0461 1.3239 0.8972 0.6610 0.6955 0.5419 0.6273 0.8019 0.6236 0.6203 0.7541 0.9129 0.7315 0.6440 0.9256 0.4965 0.5052 0.7060 0.6195 0.9218 0.5432 0.7934 0.8604 1.0353 1.3827 0.9029 1.0054 1.1273 1.1214 1.1865 1.0742 1.1298 1.2198 2.2906 2.1568 2.1064 2.2303 2.1197 2.4980 0.6230 0.5964 0.7965 1.0765 1.0016 1.3720 1.7441 2.4282 1.6851 1.3837 2.5706 1.0000 1.3232 0.9521 1.6410 0.9824 3.2007 2.3366 3.6028 3.2280 1.9399 2.2398 N,N,N-trimethyl-alanylproline betaine (TMAP) 1.1289 1.1223 0.9447 0.8122 0.6922 1.0038 0.8501 0.9133 0.7864 0.5423 0.8710 1.4293 1.5384 1.5731 1.4614 1.6693 1.6492 0.6691 0.6636 0.7186 0.7566 0.7171 0.8595 0.6435 0.5712 0.5706 0.5449 0.6624 0.8041 1.4160 1.2231 1.3670 0.9837 1.5296 0.9400 0.8969 0.9195 0.9799 1.0012 1.1123 0.9599 1.4648 1.4228 1.2576 1.2763 1.4301 1.2545 0.8081 0.7939 0.6605 0.6799 0.9087 0.6328 0.8808 0.8388 0.8011 0.9706 0.8017 0.9464 1.1599 1.2364 0.9879 1.1599 0.9640 0.9076 0.9670 0.8127 0.9240 0.8899 0.9526 0.7754 0.7746 1.0623 0.9373 1.1776 1.3080 1.2437 1.1453 1.2541 1.4427 0.5299 0.7184 0.7427 0.6396 1.0437 0.9489 1.8352 1.6093 2.2744 1.8593 1.7268 1.8803 0.7226 0.5792 0.6038 0.8402 0.7296 1.0720 1.0608 1.1711 1.0559 1.2830 1.0834 1.2142 1.5772 1.6897 1.3792 1.4563 1.6439 1.2483 1.2043 1.1722 1.1685 0.8941 0.9812 0.9250 0.5378 0.7565 0.6762 1.1236 1.2400 1.1281 1.0159 1.0770 0.7210 0.8266 0.8245 0.8289 0.8197 1.0121 1.6265 1.0239 1.0641 1.3234 0.9879 0.6364 0.8421 1.2843 0.6468 0.5979 0.8776 1.0813 1.0235 1.1935 1.0431 1.2698 1.1885 1.1509 1.0548 1.1705 1.5007 1.0668 1.3754 1.3147 1.2743 1.2792 1.4155 1.2521 1.3221 1.1154 1.0271 1.1254 0.9395 1.0513 1.2078 0.7772 0.8956 0.8337 1.1710 1.1168 0.8444 0.9626 1.2925 1.0000 0.9319 1.4502 0.6582 0.8927 0.7209 1.0658 0.6977 0.7631 0.8877 0.8438 0.8442 0.5902 0.9006 N,N-dimethylalanine 0.9143 0.8899 1.6055 0.0566 0.0566 0.6401 0.7565 0.7886 0.5376 0.2830 0.0566 1.8337 1.7538 1.2063 2.2739 1.8413 1.9331 0.4757 0.8124 0.8568 2.2051 0.0566 1.5063 2.6346 1.4934 1.7096 2.3267 1.9896 2.7165 1.0000 0.7305 0.6680 0.0566 0.0566 0.4788 1.2389 0.8645 1.3003 1.1350 1.3136 1.6239 0.5877 0.9700 0.0566 0.4318 0.5528 0.9683 1.6323 2.4628 1.0348 1.2345 1.8062 0.9616 5.1319 1.0650 1.9980 3.8221 3.4028 0.7202 0.3093 0.7130 0.5360 0.8231 0.4177 0.7008 0.7229 0.9136 1.8663 0.7237 0.5022 1.0706 0.0566 0.0566 0.7368 0.0566 0.3279 0.5543 1.0637 0.8760 0.5335 0.5348 1.3813 1.0000 0.0566 1.5037 1.7534 0.9139 0.8687 2.0607 1.3223 2.1139 1.0039 0.8005 0.8704 1.0231 1.5023 1.7453 0.0566 0.7399 0.7610 1.2439 1.0260 1.5286 1.4707 1.7391 2.9854 1.6534 2.2784 2.5726 1.4536 1.6610 1.3217 0.0566 0.6171 0.8426 0.5229 0.3731 0.1198 0.2757 0.9458 0.0566 0.0566 0.4122 0.0566 0.0566 1.0891 0.8240 0.9903 0.0566 0.3676 2.1159 0.6749 1.0898 1.2762 0.4000 0.7502 1.3212 1.7830 0.6762 0.4719 2.1317 0.2863 0.4403 0.7188 0.2996 1.0874 0.0566 0.4350 0.0566 0.4599 0.4741 0.1912 0.0566 1.1965 1.0643 1.0745 0.9218 1.5338 1.1080 0.6269 0.5074 0.7845 0.5190 0.8652 0.8789 1.7322 0.8557 1.8536 2.3841 1.7586 0.5777 1.3674 2.0545 0.7374 1.0582 1.7912 0.7078 1.6248 0.8729 1.6609 1.4477 1.5827 0.5773 1.1039 1.0391 0.0566 0.4999 N1-Methyl-4-pyridone-3-carboxamide 1.0559 1.9804 1.2580 0.5493 1.1919 1.6132 0.8953 0.7680 1.1466 0.4580 1.2937 0.6975 0.7842 1.1702 0.8895 0.8410 0.8451 0.6336 0.8621 1.4111 0.6771 0.5933 0.7563 0.8325 0.2654 1.8114 0.8542 0.6472 0.8127 1.4273 1.4253 1.3995 0.8561 1.6146 0.7147 1.0225 1.4202 0.8937 1.1017 1.2996 2.7742 2.0294 1.2619 1.3666 1.1372 1.2047 1.2882 0.6843 0.9315 0.7899 0.6337 0.5909 0.2878 1.7864 0.2654 1.9796 2.1875 1.6493 0.7407 1.0737 0.7813 0.3140 0.8279 0.7837 0.7148 0.4231 0.5257 0.6262 0.7747 0.9099 1.0000 1.8034 0.5971 0.4069 1.8500 1.0123 0.8873 1.0474 1.0027 2.5774 0.5021 1.0913 1.6243 0.6485 1.2555 1.0293 1.4365 1.4859 2.6646 1.6065 3.6092 1.7395 0.2654 0.6783 3.0026 0.8938 0.9297 1.4323 0.2654 1.4573 0.8055 1.1553 1.5423 0.5719 1.5795 0.8780 0.5339 0.8313 0.9474 1.1526 1.6460 1.2726 1.6159 0.3403 0.5098 0.6741 0.4878 0.9732 0.7189 0.2654 0.5545 0.3413 0.3562 0.2740 1.1684 0.9522 1.2098 2.0003 1.2432 0.9341 0.8036 1.3146 0.7008 0.8680 0.7550 0.5777 0.6692 0.6450 0.5448 0.5048 0.6146 0.9537 1.1160 1.8922 0.8017 0.9316 0.7694 1.6259 1.2115 1.7052 1.6899 1.2201 1.0429 0.7763 1.0478 1.3458 0.2654 1.0938 1.1695 0.2654 1.5445 1.2076 1.2884 2.1632 1.9760 0.5589 0.4108 1.2208 1.2601 1.1094 0.6684 2.7992 2.4569 0.7185 1.1968 1.8604 0.4711 1.0486 0.5030 0.9253 1.2024 0.9415 0.9332 1.2212 1.3151 0.5402 1.0578 1-methyladenosine 0.8531 0.8057 0.7520 0.9837 0.9475 1.1093 0.9058 1.0517 0.9957 0.9856 1.0007 0.9398 0.8464 0.8832 1.0431 1.0360 0.9783 0.7995 0.7409 0.9082 0.8399 0.8797 0.9108 0.7901 0.7884 0.7714 0.8477 0.8413 0.8617 1.0758 1.0616 1.0492 0.9244 1.0737 1.0575 1.0245 1.1365 1.0205 1.0409 1.1945 1.0171 1.2976 1.2172 1.1338 1.1295 1.1485 1.0740 0.9077 0.8746 1.0851 0.9342 0.9732 0.7534 1.0657 0.9455 1.0067 0.9678 0.9729 0.8627 0.8410 0.8552 0.8857 0.9701 0.9268 1.0233 1.0570 1.0073 0.9656 0.9602 0.9539 1.0274 1.0435 0.8820 1.0775 0.9493 0.9979 0.9907 1.0000 0.8935 0.9076 1.1698 1.1671 1.2615 1.0870 1.2358 1.1365 1.1208 1.1108 1.1755 1.0551 1.2307 1.2193 0.9354 0.9749 0.8816 0.9870 1.1269 1.1387 1.1891 1.1410 1.1101 1.2620 1.2056 0.9195 0.8761 0.9619 0.9830 0.8408 0.9543 1.1026 1.0172 1.1756 0.9017 1.1042 1.0039 0.7929 0.8065 0.9358 0.7930 1.0404 1.1553 0.9829 1.0964 0.9641 0.9261 0.9978 0.9208 0.8840 0.8955 1.1615 1.0484 0.9508 0.9903 1.0026 1.0022 0.8212 0.9096 0.9216 1.0481 0.8433 0.9406 0.9457 0.9929 0.9079 0.9758 1.0457 0.9685 1.0847 1.2032 1.2274 1.1938 1.1259 1.0663 0.9135 1.0117 1.0135 0.9959 1.0211 1.0750 1.0511 0.9819 1.1097 1.0423 1.0175 1.0263 1.0558 0.9686 1.0738 0.9973 1.1077 0.9951 0.9807 1.2836 1.2003 1.2164 1.2560 1.0282 1.0999 1.1285 1.1942 1.1196 0.9069 1.0040 1.0715 0.9379 0.8780 0.9319 N1-methylinosine 1.0936 0.6192 0.8309 1.0429 1.0986 1.2042 0.7504 0.8616 0.7203 0.8222 1.0327 0.8243 0.9893 0.7605 0.9968 1.2090 1.1951 0.6954 0.6104 0.7514 0.5855 0.7172 0.6562 0.5988 0.7742 0.7513 0.6265 1.0000 0.7660 1.1032 1.1486 1.2677 1.3267 0.9619 1.1040 0.9056 1.2042 1.0271 1.3415 1.0336 0.7788 1.8574 1.2740 1.2957 1.1428 1.3415 1.1382 0.8143 0.8486 0.6569 0.8387 0.7402 0.7184 0.7404 0.7740 0.9277 0.7823 0.8110 1.1170 1.0967 1.0815 1.1282 1.2807 1.0900 0.8025 0.8844 0.8996 0.9919 0.8537 1.0838 0.9054 1.1115 1.1261 1.1289 0.8880 0.8542 0.8657 0.9450 0.6466 0.5726 1.0388 1.0032 1.1812 0.9271 1.0039 1.2448 1.6155 1.2920 1.6056 1.4984 1.4230 1.5895 0.7110 0.6486 0.7174 0.8855 0.8387 1.0919 0.8602 1.0197 0.9343 1.1321 1.0117 0.9647 1.0216 0.9473 1.3956 0.9594 0.9208 0.8150 1.0378 1.1049 0.5726 1.0799 0.9822 0.9561 0.6832 0.6397 0.7457 1.1975 1.2813 0.9180 1.0777 1.4828 0.5726 1.0375 0.9682 0.9564 0.9298 0.9105 1.0231 0.8787 0.9838 0.7727 0.8310 0.7852 0.7976 0.6636 1.0698 0.7501 0.9461 0.6316 0.6572 0.6267 0.8307 1.5832 0.9142 1.3329 1.2777 1.1574 1.4216 1.2913 1.0046 1.0241 0.9705 1.1309 0.9862 0.9259 1.1322 1.1459 1.0171 1.1606 1.0216 1.1206 1.2822 1.1792 1.2260 1.1384 1.2956 1.4671 0.8579 0.8872 1.1376 1.4467 0.9967 1.1642 1.2591 1.1372 1.1165 1.1968 1.0840 1.2551 1.1406 1.0199 1.2599 0.7677 0.8931 N2,N2-dimethylguanosine 1.1525 0.9394 0.9330 0.9741 0.9173 1.1176 0.9758 0.8810 0.7590 0.9095 0.8796 1.0266 1.0028 0.7892 1.0049 1.0662 1.0563 0.6589 0.6745 0.7226 0.7435 0.7865 0.7111 0.7910 0.8437 0.7118 0.8152 0.7954 0.9093 1.3118 1.2747 1.1784 1.1394 0.9894 1.1452 1.0673 1.1693 0.9927 1.3707 0.9390 1.1403 1.2440 1.0886 0.9740 1.0613 1.1313 0.9524 0.7391 0.7989 0.7781 0.8225 1.0000 0.7300 1.0298 0.9688 0.9466 1.0767 0.8259 0.8575 0.9560 1.0072 0.8963 0.9477 0.8275 0.8628 0.9120 1.0042 0.9162 0.9767 1.1163 1.1296 0.9629 1.0475 1.4155 1.2721 0.9446 0.9680 1.0402 0.8758 0.9603 0.9429 1.0413 1.0267 0.8974 1.2231 1.1284 1.3214 1.1660 1.3513 1.4917 1.1574 1.4020 0.9971 0.8658 0.8320 0.9452 0.9044 1.1196 1.1085 1.0834 1.1316 1.0757 1.2172 0.8498 0.9764 0.9324 0.8771 0.8290 1.0479 1.1079 1.1107 1.0061 0.7507 1.0548 1.1093 0.8683 0.8426 0.8884 0.8877 1.1906 1.2203 1.1649 1.1204 1.2287 0.7967 1.0029 1.0752 1.0210 1.0065 1.0758 1.2459 1.0439 0.9189 1.0344 1.0500 0.8861 0.9567 0.9280 1.0687 0.8560 1.0177 0.6704 0.7411 0.8820 0.8296 0.8951 0.7852 1.2336 1.2309 1.2138 1.3465 1.2537 1.2231 0.9631 0.8985 0.8388 0.8274 0.9139 0.9425 1.1548 1.1184 1.0707 0.9229 0.9786 1.1775 1.1663 0.9819 0.9679 1.3402 1.2278 0.9639 0.8988 1.2106 1.0983 0.8391 1.2713 1.0411 1.0335 1.1983 1.1901 1.0932 1.0744 1.0876 0.9515 1.0522 1.0578 0.8308 N2-acetyl,N6-methyllysine 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 0.7059 0.1426 0.5881 0.2488 0.4773 0.5318 0.1426 0.3310 0.4833 0.4840 0.1426 0.1426 0.4570 0.7296 0.6956 0.4485 0.8350 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 1.3114 1.6607 1.2675 1.0351 1.7296 1.4121 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 0.2911 0.1426 0.1426 0.2641 0.1426 0.4915 0.4842 0.5163 0.1426 0.1426 0.3747 1.2042 0.3896 0.7969 0.9315 0.9649 0.8070 0.8304 0.8259 1.1287 1.0598 0.7702 0.1426 0.1426 0.1426 0.1426 0.1426 1.7996 2.7098 1.6417 1.7369 2.8395 1.7935 3.3178 3.1482 3.4187 3.3888 3.2533 7.7840 7.7063 8.4604 6.2786 8.6376 8.7578 0.4939 0.4434 0.1426 0.5820 0.1426 0.3806 0.1426 0.1426 0.1426 0.1426 0.1426 1.1914 1.1634 1.1411 1.1564 1.5054 1.1984 0.1426 0.1426 0.1426 0.1426 0.3103 0.1426 0.1426 0.1426 0.2098 0.1426 0.1426 0.1426 2.2645 1.9899 2.7097 2.3330 0.1426 0.1426 0.1426 0.3368 0.1426 1.6941 1.8769 2.4524 2.4779 1.5969 0.6540 0.8631 0.6948 0.9523 0.8403 0.8453 0.6953 0.7453 0.9788 0.8213 0.3601 0.7950 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 1.3897 1.3771 1.2079 1.2977 1.3874 1.3353 0.1426 0.1426 0.1426 0.1426 0.1426 0.1426 0.3214 0.1426 0.1426 0.1426 0.1426 1.0000 1.2819 1.6222 1.4440 1.4235 1.6627 0.1426 0.1719 0.1426 0.1426 0.1426 0.5636 0.1426 0.4828 0.4239 0.1426 0.1426 N4-acetylcytidine 0.6423 0.9598 0.8674 0.7059 0.7495 0.7087 0.4848 0.9681 1.1689 0.8031 1.1153 1.0853 0.6124 1.3314 1.1825 1.0667 1.5074 0.9291 0.9680 1.1426 1.1959 0.7081 0.2610 0.8103 0.5607 1.1904 1.1575 0.4753 0.7124 2.0093 0.9816 0.5964 0.8408 1.2117 1.4665 0.9417 0.6609 0.9762 0.8968 1.5158 1.8892 0.8238 0.8159 0.7010 0.6963 1.2303 1.2865 0.8808 1.2409 0.7501 1.5304 1.0285 1.2066 0.9285 2.0917 1.3964 1.1562 1.5809 0.8206 0.9569 0.6005 0.7116 0.2610 0.8690 0.9182 1.5796 1.9354 1.5569 0.5917 2.0881 2.9200 1.0267 1.3292 2.3330 1.9794 0.8234 0.2610 0.7273 0.5360 0.8769 2.4227 2.2002 1.9845 1.4869 2.7389 1.5727 0.2610 0.5837 1.2128 1.0520 0.6555 0.6147 0.9455 0.9763 1.3634 1.0404 0.3946 1.2815 1.1934 0.7439 1.5696 0.2610 1.5232 0.5432 1.0412 0.8670 0.7332 0.7558 0.8538 0.2942 1.2442 1.1091 1.7508 1.0027 0.7696 0.5965 0.2610 0.2610 0.7415 1.0396 0.8433 0.7043 1.3280 0.9521 2.6300 1.1985 1.8047 0.9123 1.6822 0.5047 0.2610 0.2650 0.9373 0.2610 0.2610 0.8952 1.2816 0.5589 0.7051 0.5617 0.7139 0.9967 0.2610 1.5625 1.2097 1.0493 1.1814 0.6611 0.5528 0.7903 0.7366 0.5760 0.9854 0.2610 0.2610 0.4794 1.0490 0.6603 0.2610 1.6450 0.7490 1.2580 0.9479 1.3773 1.3639 1.0184 1.1884 1.4083 0.8735 1.4167 1.8919 2.0242 1.9290 1.6578 1.6058 1.2795 1.2969 1.0356 1.8963 0.8002 1.4905 0.5254 1.8181 1.1511 1.5804 0.9973 0.6590 N6,N6,N6-trimethyllysine 1.1263 1.1422 0.6973 0.7998 0.8051 1.1452 0.8633 0.9696 0.5707 0.6138 1.0930 1.4394 1.7155 1.5864 1.4535 1.7459 1.9275 0.7789 0.8396 1.1404 1.4586 1.0369 1.4204 0.9254 0.5174 0.8008 0.4649 0.8434 0.9289 1.3657 0.8156 1.1727 0.6756 0.9455 0.8277 0.8379 1.0291 1.0259 0.9853 1.4832 1.0713 1.5365 1.7140 1.5730 1.3035 1.6617 1.1247 1.2077 0.5136 0.7565 0.7604 0.9559 0.4515 1.0479 0.5836 0.8164 0.8498 0.4735 0.7515 1.2574 1.1874 1.2087 1.3820 0.8064 1.0945 1.1088 1.1043 1.0018 0.9534 0.8016 0.8006 0.6094 0.9607 0.7575 0.9374 1.0266 1.0000 0.7561 0.9149 1.1698 0.7905 0.5926 0.9026 0.6558 1.1176 1.2032 1.3171 1.5421 1.7375 1.5949 1.5392 1.6220 0.9898 0.7059 0.8374 1.0090 0.6594 1.2763 1.0201 1.2243 1.0055 1.7101 1.1519 0.8014 1.0623 1.1055 0.8439 0.8547 1.1480 1.3231 1.5381 0.9462 1.2323 0.7459 1.0649 1.5546 0.7672 1.2654 0.8452 1.0174 1.2626 0.9354 0.7782 0.9410 0.6332 0.8995 0.6880 0.8896 0.9982 0.6509 0.8003 0.7252 0.5851 0.6628 0.6108 0.8675 0.6579 1.1789 0.9303 0.5852 0.9328 1.0637 1.3769 1.5216 0.8474 1.4532 1.0252 1.4122 1.3356 1.0181 1.6230 1.1754 1.8332 1.6628 1.9144 1.7345 1.8422 1.4641 1.6237 1.0361 0.9142 1.3506 0.9616 1.0987 1.4049 0.6850 0.3787 0.5316 1.0815 1.8431 0.6794 0.6801 2.0387 1.1853 1.1095 1.4217 0.5138 0.5983 0.5022 0.9651 0.6471 0.7541 0.8024 1.0743 0.7125 0.5410 0.5444 N6,N6-dimethyllysine 0.6246 0.6292 0.5171 0.5358 0.5018 0.5897 1.7889 2.0612 1.5394 1.5600 1.9955 2.3082 2.2755 2.4455 2.1899 2.5470 2.2293 0.4470 0.5153 0.6080 0.8313 0.6109 0.6551 0.7554 0.8178 0.7100 0.7017 0.8933 0.8134 2.7036 2.0101 2.4559 1.9618 2.3329 2.2575 1.0137 1.0253 1.0023 1.0000 1.0077 1.0120 1.2075 1.1734 1.1319 1.0863 1.1759 1.1293 0.8329 0.4861 0.5445 0.5642 0.7956 0.4755 0.9761 0.7633 0.9002 1.0558 0.6364 0.5532 0.7800 0.6773 0.7634 0.7525 0.6193 0.9778 1.0169 0.8805 0.9219 0.9831 0.8685 0.9196 0.8540 0.9808 0.9143 1.0805 1.1517 1.0768 1.0573 1.0739 1.2297 1.9888 1.7245 1.9925 1.5073 2.4644 2.5606 1.3913 1.3870 1.6006 1.5328 1.4188 1.5148 0.6567 0.6198 0.6140 0.6614 0.5958 2.6063 2.6534 2.6173 2.7430 2.7112 2.8651 0.8193 0.9661 1.1124 0.8229 0.8081 1.2129 0.8422 0.9559 0.8374 0.7285 0.5634 0.7347 1.1012 0.8351 1.0339 0.9394 1.0191 1.0408 1.0409 0.8793 0.9769 1.7026 1.9670 1.6524 1.9547 1.9268 0.7021 0.7589 0.6198 0.7119 0.6216 0.7211 0.8436 0.6980 0.9345 0.8797 0.6914 0.9100 0.6240 0.7665 0.7410 0.5604 0.7331 0.6585 0.8090 0.8559 0.7678 1.0267 0.7753 0.9745 2.4360 2.4107 2.3284 2.7229 2.6152 2.5132 1.0675 1.0999 1.1577 1.0381 1.0515 1.0762 0.7505 0.5298 0.6654 1.1972 1.0863 1.9692 1.9274 3.2721 2.8677 2.2983 3.1496 0.4119 0.5541 0.4469 0.6499 0.5251 2.0483 2.3148 1.7388 2.1536 1.7188 1.6491 N6-methyllysine 0.2803 0.2688 0.2281 0.2013 0.2306 0.1992 1.2877 1.4297 1.0153 0.8430 1.2593 0.9494 0.8459 0.9641 0.8692 0.9201 1.0475 0.2561 0.3584 0.3949 0.5462 0.3964 0.5102 0.9918 0.9581 0.8565 0.7694 1.0025 1.0464 4.2027 3.2393 4.0920 3.1874 4.3069 3.7214 1.1781 1.1772 1.1789 0.9702 1.1423 1.1254 1.2180 1.0637 1.1230 1.1099 1.1231 1.2073 0.8428 0.5675 0.6438 0.6994 0.7671 0.4708 0.9423 0.6497 0.7769 1.0268 0.5995 0.7520 0.9115 0.9287 0.9254 0.9635 0.7100 0.6577 0.6414 0.6818 0.6673 0.6885 0.9521 1.0277 0.8650 1.0383 0.9136 1.1353 1.6055 1.5047 1.6979 1.5806 1.7739 4.1903 3.8809 4.4008 3.5172 5.9004 5.4125 2.1806 2.2046 2.1898 2.5641 2.3343 2.4337 0.7636 0.5600 0.6916 0.7662 0.6509 4.4867 4.2832 4.4200 4.7275 4.4163 5.3545 1.1712 1.4573 1.7101 1.0043 1.3851 1.7473 0.8914 0.7644 0.7972 0.7571 0.6948 0.8593 1.3248 0.9279 1.1566 1.0580 0.9393 0.9114 0.9975 0.8611 0.8855 4.6238 5.0729 4.3290 5.1467 5.0510 0.7903 0.8350 0.8113 0.8496 0.9255 0.7850 0.8473 0.8092 1.0000 0.9181 0.6624 0.9687 0.5832 0.6928 0.7338 0.6101 0.8446 0.7031 0.6332 0.6650 0.5552 0.7071 0.5387 0.6902 3.1841 2.9029 2.7582 3.0671 3.2611 3.1257 1.1474 1.2682 1.3333 1.2276 1.1853 1.3546 1.0905 0.8345 1.0070 1.5811 1.5597 3.6765 3.9554 5.3446 5.1611 4.6564 5.0964 0.3673 0.4713 0.5083 0.6237 0.4831 3.6341 3.5648 2.9130 3.4958 2.6374 2.7493 N-acetyl-1-methylhistidine* 0.8638 0.6922 1.0285 1.6759 2.3290 2.3231 0.4333 0.1837 0.5029 0.1837 0.5817 0.1837 0.1837 0.1837 0.1837 0.1837 0.1837 3.7622 1.9939 4.1368 1.1242 5.1257 2.4435 0.1837 0.1837 0.7293 0.1837 0.1837 0.1837 0.7216 0.7620 0.1837 0.7891 0.1837 0.9657 0.4037 0.1837 0.1837 0.1837 0.1837 0.1837 0.1837 0.1837 0.5360 1.1413 0.1837 0.7944 0.5732 1.0270 2.4423 2.0933 0.8489 1.1126 0.5512 1.4490 2.1290 0.7137 0.6805 1.5874 2.3305 1.5287 0.1837 0.1837 1.2506 0.5121 0.1837 0.1837 0.1837 0.1837 0.1837 1.6035 1.7345 0.8535 1.1661 0.1837 0.1837 0.7523 0.1837 0.9132 0.7016 2.4199 1.6128 3.1244 1.8587 1.7399 1.9523 0.8029 0.1837 0.9226 1.0096 0.1837 0.9032 0.1837 0.1837 0.1837 0.1837 0.1837 0.7295 0.1837 0.1837 0.1837 0.1837 0.1837 1.0360 0.7976 0.3346 1.1118 0.6246 0.1837 0.8818 0.8073 0.1837 1.4024 0.1837 0.1837 0.1837 1.5996 2.8394 1.9483 0.1837 0.1837 0.1837 0.2565 0.1837 0.1837 0.1837 0.1837 0.1837 0.1837 1.9132 1.4224 2.1294 1.3156 0.9841 1.6477 0.7872 0.4096 0.1837 0.1837 0.1837 1.0000 0.1837 0.1837 0.1837 0.1837 0.1837 0.1837 1.1539 1.0893 0.7496 0.9777 0.6615 0.7626 0.1837 0.1837 0.1837 0.5513 0.4019 0.4928 0.8883 0.1837 0.1837 1.0194 1.2251 1.0379 1.0000 0.1837 0.6152 0.1837 0.1837 0.1837 0.1837 0.4845 0.1837 0.1837 0.5457 0.9502 0.1837 1.1000 0.1837 1.1570 0.1837 0.1837 0.1837 0.1837 0.1837 0.1837 N-acetyl-3-methylhistidine* 0.8809 1.7456 0.8415 0.2435 1.0000 1.6111 0.6003 1.2894 0.2435 0.2435 1.1026 0.2435 0.2435 0.6150 0.2435 0.2435 0.2435 1.0000 0.2435 2.2112 3.6254 0.9308 1.5844 1.0761 0.2435 0.4842 0.2435 0.2435 0.7920 1.5703 0.7576 0.2435 0.5540 0.2435 0.2435 0.7029 1.1897 0.2435 0.2435 0.2435 0.2435 0.8729 1.5138 1.1073 1.0991 0.9277 0.9856 2.1454 1.4531 1.1689 0.5181 1.1453 0.2435 1.5627 0.2435 0.2435 0.6132 0.4821 0.7978 2.4590 0.8201 0.2435 0.2435 0.2435 0.2435 0.2435 0.2435 0.2435 0.2435 0.2435 0.2435 0.2435 0.6160 0.2435 0.2435 0.2435 0.3829 0.2435 0.2435 1.0208 0.4111 1.0155 1.1538 0.2435 1.5036 4.6280 2.5013 0.2435 1.8066 1.5890 3.0282 2.1711 0.2435 0.2435 0.2435 0.2435 0.2435 1.2899 0.2435 0.5934 0.2435 0.2435 0.2435 0.4355 0.7102 0.7092 1.0522 0.6908 0.2435 0.6759 0.6979 0.2435 1.1158 0.2435 0.2435 0.2435 0.5198 1.2061 0.2435 0.2435 0.2435 0.2435 0.7476 0.8543 0.2435 0.2435 0.2435 0.2435 0.2435 0.5844 2.1743 1.2871 0.4437 0.7559 1.1872 0.8690 0.2435 1.1322 0.2435 0.2435 0.5062 0.2435 0.2435 0.2435 0.2435 0.2435 0.2435 1.0035 0.7114 1.4810 1.2818 1.1261 2.0336 0.2435 1.3660 0.2435 0.5435 0.2435 0.2435 0.7930 0.2435 0.3458 0.2435 0.2435 1.3847 0.2435 0.2435 0.5865 0.2435 1.2408 0.2435 0.2435 1.2010 0.2435 0.2435 0.5915 0.5641 0.2435 0.6781 0.6932 0.2435 0.2435 0.2435 0.2435 0.2435 0.2435 0.2435 N-acetylalliin 0.1377 1.5348 0.2817 0.1377 0.3297 1.4637 0.1377 1.1907 0.1377 0.1377 0.1377 0.1798 0.1377 0.1377 1.7485 0.4013 0.3125 2.7517 0.1377 0.7388 2.4651 0.1377 0.4147 1.1643 1.5606 0.4549 0.1377 0.1377 0.1377 2.2099 0.7684 0.6527 2.0162 0.6944 0.1377 0.1377 2.0560 0.1377 2.4398 0.9964 0.1377 4.3268 1.7561 0.3242 0.3005 0.8675 0.1377 1.7498 0.1377 0.1377 0.1377 0.1377 0.7942 1.7122 3.2325 0.1377 0.1377 0.1377 0.7409 1.8494 0.8882 0.1377 4.0079 4.5097 0.1377 0.1377 0.1377 0.1377 0.3945 0.1377 0.1377 2.6207 0.2086 5.1256 1.7530 4.9385 0.1377 0.1377 0.1377 1.5389 0.1377 0.1377 1.7350 3.2477 0.1377 2.1390 3.3143 0.1377 1.0000 0.9497 2.8411 1.0496 0.6864 0.1377 0.1377 0.1377 0.1377 1.9159 1.3837 0.1377 0.4478 0.6951 0.1377 0.1377 0.1377 0.1962 0.3178 0.5482 0.9262 0.7647 2.7144 1.0036 0.6874 1.2650 0.1377 0.1377 4.4525 0.9678 0.1377 2.9816 0.8614 3.3380 0.8238 0.6949 0.1377 1.1908 0.1377 0.1377 0.1377 0.1377 1.8781 0.5966 0.1892 0.2640 2.4554 0.2444 0.1377 1.8921 0.1377 3.0921 0.1883 1.3761 0.4593 1.0351 0.6180 0.4009 0.1377 0.8614 0.1377 0.9859 1.1120 6.2406 3.0365 2.0228 2.7443 0.1377 0.6262 0.5746 0.8539 1.4021 0.1377 0.7417 0.5491 0.1377 2.6785 0.1377 0.1377 0.3723 0.1377 1.7199 1.1342 0.3591 2.5976 0.1377 0.4080 0.5261 1.2282 0.1377 0.1377 0.9909 0.3921 0.5196 0.1377 0.1377 0.1377 0.1377 0.1377 N-acetylarginine 2.0643 1.7639 1.7303 0.4624 0.7256 1.5796 1.0021 1.0000 0.7681 0.2948 0.6200 1.1039 1.3244 1.2169 1.3379 1.1770 1.3443 0.4654 1.7837 1.0704 2.6921 0.7605 2.2823 0.7482 0.4415 0.3798 0.6043 0.3259 0.8495 1.2304 0.9892 1.1011 0.3031 0.6612 0.3905 0.8616 1.0445 0.9160 0.8996 1.1369 0.8980 1.5775 1.4827 1.3811 1.3542 1.4076 1.4648 1.8645 1.1565 0.5763 0.2613 1.6194 0.2362 1.7747 0.3618 0.8002 1.3905 1.2491 1.9208 1.2472 2.3297 1.2701 1.9668 0.8305 1.5004 1.1797 1.2330 1.4917 1.2517 1.6334 1.0060 0.8337 1.6543 1.0277 1.8034 1.9419 2.5471 1.9065 2.2336 2.2842 0.6231 1.8872 1.3006 0.5073 2.2642 2.3472 1.0601 1.1200 1.0926 1.1043 1.1438 1.2119 0.2099 0.0971 0.1381 0.2204 0.1505 0.8621 0.7507 0.7379 0.7755 1.0053 0.7764 0.4590 0.6184 1.1645 0.3296 0.9535 1.0973 1.3498 1.3930 1.2189 0.4468 0.3087 0.4056 1.4433 0.3695 0.7094 0.4538 0.8482 0.9937 0.9627 0.7804 0.8994 0.2725 1.1089 1.0148 1.2365 0.4610 0.7922 1.7563 0.8955 1.8404 1.9070 0.7194 0.5702 0.9772 1.3204 0.6029 0.5171 1.2003 0.3294 0.5432 1.1507 0.8696 1.2049 0.4213 0.8884 0.6950 1.1741 1.5611 0.5754 1.4540 0.9956 1.3850 0.9998 1.0992 1.0000 1.0922 1.3117 1.1186 1.3911 1.2678 1.2155 1.4513 0.2669 0.0971 0.5690 0.8290 0.8211 0.2807 0.7078 1.4626 0.3813 0.5207 1.1143 0.2490 0.7738 0.3195 0.9385 0.4610 0.6699 0.2298 0.5110 0.4890 0.1212 0.1808 N-acetylcarnosine 1.4589 1.3851 1.3508 0.9394 0.8000 1.4173 0.8421 0.7341 0.8619 0.5973 0.8912 2.1789 1.8321 2.6615 1.8371 2.5150 2.1806 0.8469 1.3528 0.9435 1.4069 1.1856 1.0909 0.4605 0.4024 0.4993 0.6065 0.4120 0.5005 2.3621 2.6165 1.8482 1.4401 1.6264 1.5854 0.7997 0.6135 0.7118 0.8557 0.9155 1.0211 2.1068 1.8687 2.1393 1.5385 2.0539 1.6773 0.4086 1.2230 0.8620 0.7007 1.0752 0.5390 0.6699 0.4504 0.5367 0.7927 0.9185 3.5471 3.0460 2.9880 2.7986 2.6828 2.1023 0.9309 0.7106 0.7677 0.8311 0.5682 0.9889 0.6541 0.6214 0.7504 0.4089 1.2177 0.6936 0.8431 0.6834 0.8044 1.1621 0.3751 0.5773 0.4992 0.3637 0.6546 0.5889 1.5376 1.6057 1.9357 1.4460 1.9716 1.7896 0.7766 0.2869 0.6095 0.7449 0.5672 0.7976 0.9963 1.0080 0.9176 1.1422 0.9201 1.7358 2.4579 2.2905 1.7651 2.5310 2.4413 1.9663 2.2017 2.3485 2.3368 1.2528 1.5514 0.8583 0.4863 0.5730 0.8239 0.5392 0.8278 0.5197 0.6205 0.7456 0.7326 0.7359 1.1497 0.7694 0.6304 2.1777 3.1067 2.0306 2.0913 2.3415 2.0432 0.9889 1.7025 1.2980 1.1656 0.7192 1.5180 2.1718 1.9319 2.7127 2.5298 2.6872 1.7354 3.3828 2.2598 2.7391 2.7358 2.4993 3.2227 1.4449 1.6964 1.6656 1.8598 1.3338 1.3191 1.1189 0.8591 0.8210 0.8776 0.8035 1.0037 0.8888 0.3796 1.2875 1.1417 1.2454 0.4191 0.6790 0.6674 0.5654 0.4847 0.7360 0.9453 1.5694 0.8430 1.0847 1.0000 0.5104 0.3495 0.5329 0.5945 0.2065 0.2056 N-acetylglucosamine/N-acetylgalactosamine 1.2657 1.1108 1.1514 1.1300 1.2247 1.2621 0.9216 0.8745 1.0813 0.9156 0.9003 0.7910 1.0567 0.4420 1.0737 1.0323 1.0067 0.7363 0.9027 0.9701 0.5799 0.6623 1.1245 0.6581 0.6159 0.6933 0.7354 0.6927 1.3196 0.8130 1.2121 1.0109 0.8875 0.8949 0.6839 1.5622 1.4770 1.3675 1.4322 0.6481 0.9336 1.0377 0.9185 0.7320 1.2030 0.8342 1.0043 1.0899 0.8726 0.6584 0.5198 1.0413 0.9957 1.0654 0.6751 1.1401 0.7092 1.1247 0.7248 1.0326 0.9968 0.9344 0.8224 0.8991 1.2881 1.1240 1.0658 1.0289 1.3127 1.1885 0.8085 1.3683 1.1047 1.4860 0.8797 0.9505 1.0296 0.7862 0.7578 0.4878 1.0374 1.4703 0.8076 0.9066 1.3114 0.8706 1.2850 1.0000 1.3779 2.4517 0.9396 1.1904 0.5097 0.9458 0.4420 1.0271 1.0724 0.9160 0.8108 0.7104 1.0533 0.9547 0.8391 0.9046 0.8277 0.5993 0.9504 1.0343 0.9668 0.9933 0.7745 1.0561 0.4420 1.3298 0.8980 1.8584 0.7401 0.8389 0.9587 1.5758 1.5486 1.1368 1.0439 1.1646 0.5186 1.2469 1.0979 1.0724 0.9677 1.0854 1.0138 0.8595 1.3143 1.1009 0.9643 1.1030 0.9437 1.6358 1.1612 1.3180 1.0916 0.6826 1.0428 0.5959 0.8083 1.0353 0.7716 1.1184 1.2739 1.4524 1.3544 1.1507 1.1617 0.7722 0.9381 0.9994 1.0926 1.2235 0.9850 1.0396 1.2024 1.0469 0.7535 1.0481 1.5697 0.8333 0.8499 0.9165 1.1772 1.3696 1.0183 0.7769 1.0753 0.9737 1.1613 0.9342 0.9729 0.8379 0.8752 0.9600 0.9142 1.0995 0.6904 2.4718 0.9386 0.6797 1.0923 N-acetylglucosaminylasparagine 0.9424 0.8665 0.9883 0.7738 0.7384 0.9199 0.9045 0.7164 0.3379 0.3379 0.8126 0.7934 0.3379 0.3379 0.3379 0.3379 0.3379 0.3379 0.9962 0.3379 0.3379 0.3379 1.4633 0.3379 0.5596 0.3379 0.3379 0.5340 1.1825 0.3379 1.2782 0.8894 0.3379 0.5663 0.8905 1.2085 1.0206 1.4270 1.2642 0.8655 0.3379 1.1592 1.1294 0.7451 0.9212 0.7920 0.3379 1.3442 0.7840 0.3379 0.3379 0.8516 0.3379 1.5057 0.7377 0.4784 1.0449 1.2687 1.0893 1.1809 1.1360 0.3379 1.5962 0.7797 0.9793 1.0922 0.8795 0.8546 1.3764 0.9588 0.8210 1.3873 1.4965 1.2923 0.8326 0.9055 1.3618 2.0518 1.0164 0.7486 0.3379 1.1538 0.8784 0.7190 0.3379 1.1815 1.5987 1.2339 1.1966 1.7390 0.4676 1.0312 0.8494 0.9266 0.3379 0.6493 1.6560 0.3379 0.5457 0.3379 0.9049 1.6494 0.3379 0.3379 0.3379 0.6139 0.3379 0.7165 0.5744 1.4401 0.7991 1.3055 0.9769 1.2170 0.8872 1.3152 0.9320 0.8931 0.3379 0.3379 0.8062 0.9270 1.4619 0.3379 0.3379 1.2020 1.0003 1.3968 0.4939 0.3379 1.5406 0.7549 0.6542 0.8963 0.9997 0.9740 1.1519 1.4846 1.3354 1.0996 1.2339 0.3379 1.1637 0.3379 1.1524 1.0000 1.0430 0.8936 0.3379 1.4493 0.3379 0.6444 0.3379 0.9170 1.0212 1.0458 0.3379 1.2927 0.8404 1.2927 1.0506 1.3227 1.1096 0.3379 1.1040 0.7172 0.3379 0.9227 0.8433 0.5576 0.7567 0.7521 1.6491 1.1547 1.1957 2.1029 0.3379 0.3379 0.3379 1.0574 0.3379 1.2180 0.8288 2.6916 1.1659 0.3379 1.3580 N-acetyl-isoputreanine 1.2016 0.4154 1.0979 0.9582 0.8301 0.8973 0.9893 1.0838 0.9584 0.7208 1.0162 1.0541 1.0107 0.7839 0.8253 0.8796 0.9798 0.4587 0.4154 0.5130 0.5562 0.5348 0.6107 0.7569 0.7303 0.6445 0.7485 0.8526 1.1657 0.8450 0.8452 0.8554 0.6868 0.7358 0.7658 0.9790 1.1198 1.0137 1.0136 0.9476 1.0835 1.2327 0.8677 0.9871 0.8859 0.8982 0.9548 0.8151 0.7307 0.5393 0.6503 0.7967 0.7762 1.4666 1.2400 1.4117 1.4430 1.1519 0.8795 0.6721 1.0085 0.7775 1.0434 0.8815 1.0022 0.9193 1.1258 0.9665 1.1990 1.3676 1.8555 1.0953 1.2497 2.3968 1.4779 1.4824 1.4625 1.4500 1.5010 0.4154 1.6901 1.5697 1.5975 1.3921 1.6569 1.6592 0.9838 1.0324 1.0325 1.5974 1.1531 1.0879 1.0434 0.7573 0.4154 0.9538 0.8252 1.0064 1.1172 1.1002 1.0408 1.0680 1.1335 1.2839 1.1549 1.3227 1.1914 1.2389 1.2120 1.0412 1.1139 1.0858 0.4154 0.8069 0.8871 1.4226 1.0849 0.8570 1.1801 1.6603 1.5309 1.7195 1.4926 1.5490 0.8701 1.0336 1.0763 1.0205 0.6603 0.7557 1.0000 0.6730 1.0009 0.8835 0.9023 0.5244 0.8537 0.7408 0.7447 0.5430 0.9545 0.8140 0.6835 0.9468 0.8282 0.7909 0.8172 1.1259 1.0824 1.5058 1.3459 1.2113 1.4281 0.7313 0.7092 0.6577 0.6504 0.7096 0.7891 1.4977 1.1973 1.2816 1.3862 1.3707 1.5731 1.1315 0.7152 0.9291 1.2018 1.0246 0.9756 1.1967 1.7874 1.1408 0.9219 1.5315 0.7720 0.6966 0.9827 0.6946 0.6263 0.6928 0.7215 1.4610 0.7820 0.5026 0.4451 N-acetylneuraminate 2.9080 3.6318 2.5660 3.9766 3.0475 3.1956 1.4596 1.4966 1.5378 1.1715 1.3799 1.3173 1.2501 1.3132 1.4479 1.0707 1.2979 0.7326 0.9447 0.9907 0.8891 0.9909 1.1115 0.6400 0.7690 0.7749 0.7301 0.7727 0.7155 1.4200 1.3904 1.5247 0.7359 1.0373 0.9701 1.6399 1.7179 2.1670 1.0313 0.6434 1.6287 0.9128 0.7859 0.7652 0.7776 0.7866 0.7659 0.6553 0.7501 0.5394 0.6432 0.7776 0.7157 1.6241 1.4673 1.3313 1.7857 1.7269 0.8179 0.8274 0.9455 0.9367 1.0480 0.7213 2.2990 3.1391 4.0024 2.2946 2.1508 0.9022 1.1594 0.9317 1.1891 0.9191 1.1237 0.8905 0.8314 0.5496 0.7070 0.9993 1.0992 1.0334 0.9524 0.9924 1.0413 0.9159 1.1456 1.0158 1.2509 1.2583 1.4837 1.2882 4.6148 3.2764 3.0991 3.5951 5.0109 0.8102 0.9991 0.9001 0.9786 1.0009 0.8193 0.7126 0.6635 0.7630 0.6819 0.8278 0.8416 1.0071 1.2169 1.3941 1.1383 0.6796 1.0545 0.9657 0.8257 0.8533 0.7628 1.7929 1.9968 1.7004 0.8508 1.7663 0.5629 1.1747 1.0343 1.2294 0.9358 0.5820 0.7479 0.5613 0.6749 0.6822 0.6510 0.8741 1.0196 0.9616 0.9735 0.7266 0.8538 0.8152 0.8497 0.9443 1.0000 0.9870 0.8163 1.2037 1.1064 1.1389 1.6769 0.9797 1.2826 0.8160 0.9249 1.0748 0.8593 0.9169 0.8965 1.0274 0.9702 0.9815 1.0769 1.0202 0.9583 0.9177 0.7427 1.1941 1.2938 1.2617 1.2339 1.4325 1.7202 1.4159 1.3989 1.4846 2.8376 2.6798 2.4127 3.0130 2.0735 0.9782 0.9428 0.9542 1.1746 0.8160 0.7242 N-acetylputrescine 0.8032 0.7314 0.8911 0.5097 0.5530 0.8228 1.1753 1.5546 1.3064 0.6708 1.3672 0.7342 0.6511 0.8307 0.6956 0.6891 0.7761 0.7036 1.2159 1.0079 1.2215 0.8289 1.1573 0.7583 0.8949 0.7444 0.9871 0.6993 1.0242 1.2521 1.5316 1.1851 1.0007 1.6398 1.0010 1.2270 1.4199 1.4078 1.5479 1.0952 1.2695 1.2221 1.2687 1.0467 1.0620 1.0722 1.0944 0.9092 0.9073 0.9243 0.6093 0.8926 0.6645 1.0728 0.6607 0.8488 0.9020 0.9137 0.8105 0.7792 0.7415 0.6894 0.8121 0.5849 1.0313 1.0310 0.9745 0.9365 1.0250 1.2001 0.9326 1.1351 1.2330 1.0418 1.3736 1.1346 1.0694 1.1493 1.1328 1.3150 0.7570 1.3425 1.4330 0.8613 1.4415 1.3532 0.9993 1.0658 0.8588 0.8410 0.9861 0.9787 0.9650 0.7113 0.7264 0.8928 0.8916 1.4217 1.4847 1.4368 1.4589 1.4219 1.5426 0.8025 1.6487 1.2121 0.8675 1.4100 1.3489 0.9423 0.9708 1.0830 0.9015 0.6464 0.6136 0.7294 0.4949 0.5739 0.4192 1.5562 1.4010 1.2953 1.4422 1.3040 0.5580 0.7313 0.8164 0.8768 0.6096 0.7640 1.1175 0.7430 0.9427 0.8406 0.6762 0.6308 0.6642 0.8432 0.6823 0.6845 0.7965 0.6842 1.0111 1.0139 0.9579 0.9788 0.6128 1.0000 0.8742 1.0541 1.0398 0.7450 1.0177 1.2580 1.2937 1.1653 1.2407 1.2886 1.2525 1.2869 1.0497 1.1257 1.1720 1.3308 1.4596 0.7543 0.6274 1.0470 1.0336 0.9907 0.8550 1.2567 1.2974 0.8878 0.9831 1.2386 0.9201 1.3091 0.8287 1.2117 1.3726 1.8750 1.1647 1.6247 1.4285 0.9336 1.1793 N-acetyltryptophan 0.7246 0.5459 0.8899 0.6548 0.8839 1.0248 1.0715 1.0147 0.9573 1.1294 1.2519 0.8926 1.2955 1.3228 1.0986 1.5117 1.0392 0.8886 1.4727 0.6177 1.5605 1.3079 1.2655 0.6919 0.7666 1.2528 0.7320 0.8116 0.8699 1.3857 1.3239 1.1277 0.9589 1.4008 1.3197 0.7323 1.1115 0.9729 1.2673 1.2848 1.1761 1.3417 1.8829 1.2979 1.3517 1.7032 0.9528 1.1932 1.0481 0.7287 0.6369 0.8041 0.8217 0.7752 0.4180 0.2472 0.6399 0.4496 0.7323 0.8785 0.8323 0.6412 1.0087 0.5536 0.8054 0.7322 0.7932 0.3921 0.6363 0.5002 0.6199 0.6827 0.5315 0.8006 0.9866 0.2472 1.0134 1.2052 0.9114 1.5763 0.8025 1.6536 1.5007 1.0642 1.4807 1.2323 3.8072 3.9635 3.3181 3.1229 4.4772 4.1530 1.2717 0.9269 1.0976 1.0689 1.2930 0.7917 0.7135 0.8488 0.3498 1.2237 0.8823 0.4712 0.5427 0.6259 0.5396 0.7132 0.7850 1.2057 2.3763 1.2122 1.3794 1.1158 0.8789 0.9035 0.8734 1.0878 0.2472 1.1868 2.2524 1.4503 1.0863 1.1009 0.7570 1.1535 0.9078 0.9931 0.6641 1.0000 0.5555 0.5765 0.9727 1.0231 0.8724 0.9563 0.8521 1.1288 1.0680 0.5812 1.0155 1.0809 1.1152 1.5140 1.1585 0.9319 0.9219 2.8018 1.9974 2.0692 1.8396 2.4462 2.0447 0.9962 1.1612 1.0918 1.1719 0.7042 1.0706 1.1729 0.8574 1.1675 1.0143 1.0454 1.2694 0.8472 0.6705 1.0682 1.1674 1.3283 0.5897 0.7938 1.1227 0.6142 0.8197 0.8565 0.7782 0.8439 0.7971 0.9406 0.6714 1.6220 0.2472 0.9355 0.2472 0.5423 0.7749 nicotinamide 0.6603 0.8589 0.5560 1.1426 0.9053 0.9288 1.1054 1.2491 1.3088 1.3199 1.3855 1.1760 1.0013 0.9834 1.2191 0.6157 1.0605 1.1149 1.3481 1.1154 0.4121 1.7931 1.3632 0.6438 0.8726 0.8537 0.5857 0.9641 1.7223 1.2626 1.4836 1.8310 0.5367 1.1346 1.3062 1.0000 1.3670 1.5718 0.6204 0.3505 1.0223 1.0227 1.0360 0.9013 0.9561 1.0108 0.5067 0.3960 1.0406 0.4600 0.7155 0.7506 1.0206 1.0998 1.2366 1.3278 1.1370 1.1971 0.7776 1.0473 1.1022 0.9562 1.5505 0.8196 0.9316 1.3442 1.7545 0.8614 1.2109 0.4517 0.7211 0.7923 0.7949 0.8747 0.7474 0.4975 0.4412 0.3123 0.3536 0.5101 1.3573 1.0459 1.0119 1.3118 0.9575 0.9220 0.7077 0.8023 2.1715 2.0013 1.7020 1.1759 1.7487 1.6098 1.2832 1.3859 2.3974 0.4628 0.9180 0.8424 0.6534 1.1312 0.5700 0.9061 0.8551 0.8871 0.8080 1.2486 1.1080 0.7550 0.8225 1.0232 0.8522 0.3595 0.8455 2.6242 1.0461 1.1445 0.7904 0.4100 0.5069 0.9185 0.2726 0.4386 0.4210 0.8388 0.8835 1.0179 0.8306 0.8125 0.8614 0.7558 0.8772 0.7670 0.7865 1.1173 1.3160 1.3704 1.6364 1.0461 0.9600 0.8271 1.2814 0.8450 1.2488 0.9981 0.8491 1.2599 1.3580 1.4937 1.6626 1.0783 1.3729 0.7579 1.0622 1.2236 1.0723 0.8123 0.9640 0.9821 0.9731 1.0473 0.8666 0.8514 1.2920 1.2471 0.8041 1.3090 1.1322 1.2450 0.8917 0.7736 0.8576 0.8536 1.1129 0.9251 1.1811 1.1134 0.9169 1.2616 0.9021 1.1926 1.4033 3.3182 1.5541 1.4063 1.3077 N-methylalanine 1.0768 0.2583 1.4875 0.9019 1.8885 1.6616 1.6846 0.2583 0.7949 1.0774 1.0588 1.7412 1.8015 0.3701 1.0909 1.1406 0.8570 1.2454 0.8738 0.9589 1.0928 1.7402 0.9076 0.7915 1.1052 1.1368 1.2590 0.9736 1.0450 0.2583 0.8895 0.2583 1.9130 1.3467 1.2721 0.2583 1.0032 0.5457 0.8251 1.2299 0.8676 1.7760 0.7797 1.3370 1.1986 1.0000 1.0332 0.6689 0.6418 1.1808 1.2397 0.2583 1.2369 0.2583 1.3181 0.2583 0.2583 0.6637 0.8556 1.1809 1.2234 1.0000 1.0748 1.1714 1.7812 0.6999 0.6621 1.5300 1.2368 1.4844 0.6691 0.7723 0.7302 0.5866 0.2583 0.6889 0.8419 2.1032 1.4330 0.7692 1.2327 0.9593 1.1594 0.2583 2.1177 1.0483 1.1820 1.3632 0.9587 0.2583 0.2583 0.6118 0.2583 0.7804 0.2583 1.2466 0.8225 0.7859 0.7241 0.2583 0.2583 1.8357 0.2583 1.0261 0.9933 1.4019 0.8350 0.5886 1.1908 1.5320 1.3109 0.7062 1.2695 1.5511 1.0260 0.6441 1.0027 0.9829 0.2730 0.9194 0.2583 0.8287 0.7917 1.2526 2.0061 0.2583 0.2583 0.5948 0.8600 1.0945 0.7415 0.2583 0.2583 0.7450 0.3845 0.5422 0.2583 0.7204 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.3687 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.9785 0.6474 0.2583 1.1225 0.2583 0.8498 0.2583 0.2583 0.2583 1.3011 0.4925 0.2583 0.2583 0.7984 0.2583 0.2583 1.5248 0.2583 0.5298 0.2583 0.2583 1.0640 1.6156 0.2583 0.2583 0.6791 0.7232 0.6539 0.6633 0.7572 0.2583 0.8107 0.2583 0.2583 0.7008 N-methylhydroxyproline 2.0150 0.1271 1.7003 0.1271 0.5982 0.7097 1.7950 2.2178 1.4873 0.4052 0.4085 1.5332 1.1163 0.1271 1.5880 0.7227 1.4207 0.4925 0.5184 0.2646 1.0141 0.1271 0.8206 1.6842 0.6576 0.3756 0.9963 0.3776 1.4388 1.1988 1.1865 1.2282 0.1271 0.3937 0.2865 3.0157 4.5887 3.4074 3.4455 1.5201 0.1271 1.0980 1.2399 0.6222 0.6761 0.5291 0.5328 1.6995 0.9547 0.3125 0.2941 1.2400 0.3225 2.0256 0.1271 0.3469 1.4416 1.1327 1.4339 0.6998 1.7560 0.9098 1.9881 0.5541 0.9681 0.6551 0.8100 0.6775 0.8210 0.8743 0.1271 0.5647 1.5704 0.9068 0.1271 1.0000 0.8677 0.8871 0.9938 0.1271 0.3152 1.4350 0.3992 0.2842 1.3823 2.0978 3.4851 1.4829 1.4381 2.4891 0.1271 2.9230 0.7931 0.2051 0.1271 0.8142 0.4943 1.2190 1.1517 0.8202 0.9724 0.5794 1.0493 0.5804 0.7075 1.8943 0.8827 1.6734 2.1444 2.1158 2.4395 1.5678 0.1271 0.7250 0.7947 1.0259 0.3752 0.4939 0.2168 1.1478 0.4315 0.9463 0.6263 0.9368 0.1271 3.1561 1.7807 2.4427 0.9559 0.4346 1.7465 0.3344 1.2888 1.3402 0.7945 0.9787 2.5458 4.4508 0.7936 1.0703 3.5170 0.1705 0.4807 0.1271 1.3226 1.4202 0.3910 0.8634 0.6863 1.7210 2.2655 1.2495 2.4105 2.3365 2.4181 1.3030 1.0860 1.4560 1.8390 1.6197 1.0037 0.5235 0.8151 0.8936 1.0864 0.4166 0.4440 1.6182 1.8233 2.8021 0.6431 0.1271 2.6195 0.4140 0.3689 2.0536 0.3878 2.3498 0.3652 3.6942 0.7389 1.8793 0.1271 1.1308 1.6868 0.3080 0.4380 N-methylpipecolate 0.6152 0.2611 0.4163 0.4676 0.7590 0.7920 1.4708 1.5032 1.0280 1.6547 2.4894 0.9169 0.9840 0.7083 0.7501 1.2980 0.6906 0.5264 0.2840 0.3617 0.3338 0.3134 0.5370 0.5778 0.5328 0.7431 0.4687 0.9549 0.8129 2.0898 3.4871 3.7239 4.5826 3.9083 4.2057 1.4439 1.3352 1.3364 1.4770 1.2712 0.8536 1.0315 1.0364 0.8142 0.9360 0.8096 0.6010 0.9203 0.7735 0.9782 0.6149 0.7522 0.4714 1.2596 0.9054 1.3344 0.7070 0.8628 0.5364 1.0651 0.6531 0.8372 0.6927 0.7016 0.5140 0.2611 0.2611 0.4218 0.3230 0.6204 0.4093 0.8705 0.4728 0.9225 0.5416 1.1302 1.3402 1.3131 0.7783 0.7486 4.0436 4.7181 5.7169 4.0190 3.9483 3.3663 2.0738 1.2494 1.6872 1.6983 1.1232 2.2336 0.7129 0.5462 0.4520 0.7296 0.6006 2.7073 2.6132 2.7899 3.1157 3.5679 3.6010 2.3960 1.7204 1.1424 2.1872 1.6223 1.1361 1.5820 1.4058 1.4720 1.5242 1.7435 1.5920 0.9445 0.8911 0.9929 0.5111 0.4499 0.6121 0.4676 0.4200 0.5647 1.0393 1.9810 1.8176 1.9131 1.8357 1.2643 0.9184 1.1138 0.4862 0.9899 0.9369 0.7536 0.7237 0.7630 1.0448 0.7082 1.0859 0.6241 1.1110 0.4403 0.5589 1.0118 0.8653 0.9477 0.6097 0.8103 0.6768 0.7845 0.6707 1.1088 1.7334 1.4647 1.5917 1.5953 1.8243 1.1622 1.1795 1.1765 1.3782 0.8874 1.3122 1.3306 1.0000 1.0960 0.9062 0.8790 5.0618 5.6710 6.9124 6.9263 6.7029 9.2587 0.7418 0.9716 0.5313 1.0071 0.8413 3.8538 4.2219 4.3240 4.9311 3.1867 4.8257 N-methylproline 1.4822 1.6379 1.3098 0.3210 0.4884 0.6054 1.0531 1.6011 0.7691 0.2518 0.3326 1.3884 1.1010 1.6449 1.4282 0.8872 1.5065 0.5662 0.7542 0.3755 1.2648 0.3958 1.0228 1.6421 0.4989 0.3663 0.8554 0.5314 1.1974 1.5706 1.0232 1.1625 0.2388 0.4406 0.4357 1.7846 3.0695 1.7405 2.0303 1.2037 1.1979 1.1476 1.3317 0.6388 0.8389 0.4426 0.7008 1.6102 0.9503 0.3564 0.3063 1.2052 0.4197 2.1154 0.3061 0.5415 1.5531 1.0952 1.7882 0.9120 2.0458 0.9509 2.3355 0.9774 1.4820 1.1125 1.2540 1.0825 1.6104 0.9929 0.4545 0.4512 1.3877 1.1821 1.3519 0.9317 0.7614 0.9292 1.1159 1.3323 0.4064 0.9780 0.4792 0.3316 1.4199 1.7059 1.6812 0.8531 0.7678 1.4043 1.7522 1.3942 1.0074 0.3244 0.2462 0.7372 0.6626 1.1406 1.1248 0.5752 0.6956 0.4228 0.9178 0.6898 0.7600 1.7766 0.9441 1.4401 2.1365 1.6387 2.1702 1.6146 0.4866 0.7170 0.6541 0.9116 0.4420 0.2416 0.2713 1.8693 0.7438 1.2606 1.0975 1.3840 0.7105 3.0748 2.0657 2.2406 0.8978 0.5303 2.1559 0.6357 1.3080 1.4015 0.9926 0.7402 1.8751 2.7328 0.6643 1.1448 2.0581 1.1162 0.8948 2.1022 1.5064 1.9808 0.6856 0.4272 0.4910 1.0048 1.2127 1.0659 1.5848 1.7511 1.8758 0.9570 0.6262 1.1452 1.2737 1.3822 0.5623 0.2914 0.5993 0.4970 0.7828 0.3447 0.5959 0.8498 1.1834 1.6675 0.6908 1.0000 1.9268 0.5023 0.4351 1.3836 0.3517 1.2174 0.4819 1.9480 0.5452 1.6766 0.1917 0.8568 1.0921 0.4294 0.4079 ornithine 1.4115 0.8804 0.8848 0.4848 0.3770 0.4692 1.1365 1.3973 0.7310 0.3429 0.3814 1.0482 1.0578 1.5221 1.1822 1.1808 1.2297 0.2787 0.5060 0.3346 1.0796 0.2988 0.8801 1.1878 0.7955 0.4132 0.7784 0.5713 1.1386 1.4493 0.9008 1.2270 0.3662 0.5453 0.4529 1.2683 1.3723 1.3208 1.2162 1.2620 1.3552 1.6601 1.6595 1.6385 1.4460 1.7360 1.5225 1.7680 0.9119 0.3341 0.4234 1.5071 0.3649 1.1376 0.3181 0.2670 1.1098 0.5513 0.8154 0.5748 1.1347 0.6731 1.1340 0.5653 1.2678 1.1027 1.2146 1.2850 1.1768 1.6796 0.4258 0.3888 1.8520 0.6120 2.3267 1.2123 1.0440 0.8670 1.0706 1.3912 0.4548 1.0000 0.4576 0.4537 2.1131 2.1936 0.9007 0.9592 0.9839 0.9823 1.3099 1.1158 1.0668 0.4265 0.6185 0.9347 0.6334 1.4693 1.3974 1.4449 1.3141 1.3003 1.5202 0.4816 0.5934 1.5603 0.6129 0.9942 1.5992 1.5089 1.6448 1.0820 0.1698 0.4049 0.3977 1.2837 0.3077 0.3350 0.3414 1.2477 1.1175 1.1244 0.9305 1.1560 0.5315 1.0901 0.8031 1.0334 0.4623 0.4750 1.0996 0.3515 0.7929 1.1176 0.5065 0.6415 1.0014 1.6488 0.7153 0.5629 1.3708 0.5515 0.5671 1.6549 0.8486 1.4325 0.5211 0.6897 0.6102 0.9964 1.5583 0.7287 1.6269 1.0416 1.1216 0.8639 1.0016 0.9984 1.0175 1.3505 1.1126 1.1136 1.1715 1.1389 1.3287 0.2617 0.2262 0.4727 0.9115 1.0421 0.4945 0.8150 1.7368 0.4903 0.4827 1.4090 0.2689 0.5692 0.2312 1.0881 0.2378 1.6612 0.6717 1.0073 1.4962 0.4670 0.4625 phenylacetylcarnitine 0.6181 0.2462 0.9862 0.2462 0.9000 0.7932 0.9834 0.7228 0.7230 0.2462 0.8672 0.2462 0.2462 0.9974 0.7066 1.2501 0.2462 0.2462 0.2462 0.2462 0.2462 0.3097 0.7043 1.3591 0.2845 1.0272 0.2462 0.6554 0.2462 0.2462 0.2462 0.2462 0.2462 0.6301 0.2462 0.6727 0.2462 0.2462 0.2462 1.2604 0.2462 1.3282 0.6005 1.0517 1.1510 1.1271 1.0069 2.0274 0.6783 2.8839 2.0919 1.4042 0.4171 1.6918 1.1295 3.2207 1.8758 2.0948 3.0692 5.0361 3.3083 3.2653 4.2794 3.9440 1.2093 0.4835 0.8065 0.6942 0.2462 0.2462 0.2462 0.9485 0.2462 0.3560 0.2462 0.2462 0.2462 1.5998 1.0000 0.2462 0.2462 0.7356 0.7587 0.5516 0.4895 0.2462 0.2462 0.2462 1.0871 0.9438 0.6427 0.9773 0.2462 0.2462 1.0115 2.2175 0.7243 0.2462 0.2510 0.2462 0.2462 0.7712 0.5471 2.5634 1.8244 5.3225 1.9504 3.8500 2.8277 1.1715 0.2462 1.9493 2.0458 1.6108 0.2462 0.2462 0.6230 1.0540 0.2462 0.2462 0.7967 0.7551 0.2462 0.2462 0.2462 0.2766 0.2462 0.2462 0.5428 1.2652 0.6851 1.2236 1.1190 1.0000 0.4646 0.7126 0.2462 0.6385 0.3560 0.6357 0.2462 1.2328 1.5529 0.2462 5.0292 5.6449 0.8647 0.4173 0.2462 0.4035 0.2462 0.2462 0.2462 0.2462 0.3398 0.7038 1.3898 0.7908 1.2443 0.2462 1.0579 1.6624 1.9212 1.3734 2.1401 0.4535 0.2462 0.5784 0.6184 0.2462 0.2462 1.5893 0.7787 0.2462 1.2179 1.2240 1.0549 0.8682 0.2462 0.7338 1.9911 0.2462 0.2462 0.2462 0.2462 0.2462 0.2462 phenylalanine 1.0270 1.0093 0.6900 0.9254 0.8020 0.8775 1.1420 1.1638 0.7934 0.9046 1.0894 1.4768 1.5651 1.9175 1.5585 1.6293 1.6790 0.8132 0.6231 0.9634 0.9400 0.8822 1.0543 0.8676 0.9348 0.9157 0.7570 1.0094 0.9551 1.0538 0.7484 1.0436 0.9155 0.9898 1.0168 1.1042 1.1633 1.1509 1.1400 1.1436 1.1069 1.0013 0.9079 0.9991 0.9830 0.9766 0.9996 0.9969 0.6124 0.7313 0.8829 0.9701 0.7529 1.1395 0.9071 0.8803 1.1375 0.7113 0.7256 1.1166 1.1216 1.1663 1.1016 1.1107 0.9159 0.9402 0.8835 0.7572 0.7927 0.7593 0.8782 0.7832 0.9356 0.9628 0.9997 0.9845 0.9423 0.8658 0.9575 0.9941 0.9225 0.7919 0.8934 0.8553 1.1634 1.2059 1.2104 1.1244 1.1677 1.1180 1.1545 1.2059 1.0424 1.1061 1.1704 1.1703 0.9949 1.0000 0.9399 0.9868 1.0013 1.0629 1.0331 1.0039 1.1522 1.1770 1.0751 0.8611 1.1866 1.0653 1.0218 0.9265 0.8804 0.8943 0.9883 0.9405 0.8740 0.8388 0.8630 0.6610 0.6999 0.7107 0.5658 0.6443 0.9586 0.9522 0.7654 1.0383 0.9986 1.1120 0.9986 0.9267 0.8701 0.9756 1.0121 1.0460 0.9178 1.1943 1.2246 1.0967 1.1469 1.0236 1.0000 1.0615 0.7387 1.0532 1.0323 1.1788 1.1425 1.0812 1.3432 1.1061 1.3018 1.0690 1.0393 1.1042 1.0717 1.0638 1.1174 1.0000 1.0092 1.0266 1.0266 1.0018 1.1077 0.8672 0.7889 0.6330 1.0226 1.0732 0.9037 0.7338 1.1068 1.0318 0.9981 1.1556 0.9563 0.9243 1.0461 1.2144 0.8456 1.2769 1.2032 0.9889 1.2364 0.9865 1.1158 phosphate 1.5134 1.4810 1.0072 1.4424 0.9479 1.0059 1.0872 1.0000 0.8782 1.0882 1.3028 0.8824 0.7212 0.6373 0.6074 0.7898 0.6284 0.7889 0.9441 1.0028 1.2589 0.9122 1.0831 0.8734 0.9828 0.7977 0.7135 0.8640 1.0675 0.8552 0.8351 1.2857 1.3136 1.1390 0.6195 1.2796 1.0533 1.1769 1.0596 1.0368 1.1549 0.9529 0.7510 0.9769 0.7339 0.8946 0.9150 1.1985 0.8625 1.1194 0.9473 0.9305 1.0388 1.1853 0.9835 0.7759 0.9945 0.6091 0.8862 1.1903 0.9972 0.9288 1.1335 1.1156 0.9929 1.1670 1.0258 1.1586 1.3449 0.6343 0.8317 0.7778 0.7830 0.7302 0.8109 1.0992 1.0265 0.8773 1.1704 1.3087 1.2024 0.7651 0.8568 0.9551 1.1139 0.9983 1.0330 1.0362 1.1599 0.8117 1.0256 1.0967 0.9016 1.0240 1.1336 1.1219 0.9830 1.5621 1.1984 1.5796 1.6185 1.3447 1.6321 0.9122 1.1271 0.9867 0.9237 1.0237 1.0317 1.0035 0.9226 0.9864 1.0931 0.7823 0.7810 1.3340 1.1497 1.1508 1.2560 0.8484 0.9729 0.9070 0.7337 0.7992 1.1711 0.7388 0.7352 0.9200 1.1742 1.3071 0.6022 1.3709 0.8503 0.8876 1.4409 1.2684 0.9388 1.0791 1.0838 1.1529 0.8214 0.8681 1.0999 0.8272 0.6495 0.9497 0.6962 0.8778 1.0605 0.8877 1.0722 0.8136 1.2048 0.8706 0.9393 1.0363 0.8051 1.0420 0.9084 0.8247 0.9028 1.0991 1.0591 1.1542 1.2047 0.7944 1.0505 0.8131 1.2993 0.9843 1.0716 0.9525 1.4903 1.1919 1.1200 1.4280 1.3918 1.2278 1.1810 1.0196 1.0095 0.9717 1.1206 0.9401 0.8341 0.8391 0.7091 phosphoethanolamine (PE) 0.7682 0.7135 0.6629 1.0284 0.8619 0.9148 1.5862 1.4775 1.9317 1.7181 1.8469 1.1388 1.1226 0.8983 1.2771 0.7769 1.1661 1.3168 1.5792 1.3732 0.5786 1.8276 1.7562 0.5228 0.8187 0.8796 0.6494 1.0602 0.7567 1.2599 1.3835 1.6629 0.5018 1.1609 1.0783 1.3554 1.4140 1.6853 0.6202 0.2537 0.8507 0.9455 0.8803 0.7712 0.8411 0.8589 0.6816 0.5269 1.0971 0.5943 0.7527 0.9273 1.0174 1.5756 1.4575 1.5017 1.6482 1.8325 0.8371 1.0341 1.1769 0.9675 1.2714 0.9380 1.0023 1.4387 1.7580 0.9499 1.2419 0.5886 0.7436 0.8871 0.9437 1.0229 0.7463 0.7790 0.7126 0.3600 0.4416 0.5042 1.2545 1.0188 1.0463 1.1582 0.8975 0.8789 0.9503 0.9298 0.9436 0.9394 1.0881 1.1007 1.5289 1.2229 0.8197 1.2490 1.8782 0.6594 0.9977 0.8974 0.8351 1.0593 0.6585 1.0452 0.8026 0.8803 0.8506 1.0345 0.9224 0.7799 0.6900 1.0000 0.5951 0.3152 0.8907 0.8289 0.9531 1.3569 0.8732 0.5510 0.7525 0.7525 0.2626 0.6045 0.2511 1.0406 0.8851 1.1339 0.8479 0.9505 1.0215 0.8300 0.9754 0.8716 0.9376 1.3092 1.4403 1.4236 1.8914 1.1640 1.2877 0.9226 1.3654 0.7250 1.2358 1.1224 1.0522 1.3172 1.2386 1.2230 1.7991 1.0004 1.1840 0.6244 0.9009 0.9905 0.7592 0.7706 0.8997 1.2130 1.2813 1.4463 1.5461 1.1842 0.9297 1.2279 0.7594 1.2051 1.0574 1.2123 1.2258 0.9172 1.1609 1.2100 1.5842 1.0283 1.0645 1.1132 0.9564 1.1403 0.8203 1.0079 0.9757 1.2192 1.4344 0.9984 1.0914 picolinoylglycine 0.8267 0.3601 0.2644 1.2234 1.2851 1.5310 1.0948 0.2644 0.2644 0.9241 1.4916 0.5858 0.9273 1.6263 1.1117 1.4314 1.5549 0.6696 0.2644 0.8052 0.2644 1.1167 0.2644 0.2989 0.2644 0.6657 0.2644 0.5107 0.2644 1.6408 1.1405 1.0565 1.8672 1.6409 1.6009 0.2644 1.1750 0.8355 1.0241 1.1545 0.5256 1.3433 0.9948 1.0417 1.0553 1.0853 0.6733 0.2644 0.2644 0.5594 0.2644 0.2644 0.8400 0.2644 0.6209 0.4583 0.6812 0.5667 0.2644 1.4281 0.7290 1.3778 0.2644 0.9218 0.2644 0.2644 0.2644 0.2644 0.2644 0.4648 0.2644 0.9245 0.2644 1.2782 0.2644 0.2644 0.6850 0.2644 0.8107 0.2644 1.0234 0.7271 1.1560 1.0960 0.2644 0.8231 1.5600 0.9333 1.4955 0.8151 1.6553 2.4536 0.2644 0.8843 1.0112 0.6571 0.2644 0.9179 0.9324 0.9744 0.2644 1.2925 1.0000 0.8241 1.1926 0.9066 0.7805 0.2644 1.2618 0.7270 0.9517 0.8591 1.3954 0.9651 1.6479 0.8994 0.8519 0.9690 1.1787 0.3726 0.2644 0.3930 0.2644 0.2644 0.7049 0.5718 0.2644 1.0013 0.2644 1.9849 0.8263 0.9089 0.7473 1.4541 1.7599 0.4697 0.2644 0.2644 0.6488 0.5078 0.6711 1.3183 1.7601 0.9332 0.2644 1.2959 1.5356 1.7080 1.9489 0.5480 1.2623 2.3429 1.0052 1.0201 1.7978 1.2056 1.2104 0.8545 1.3047 0.9610 0.2644 0.6373 1.4277 0.2644 0.2644 1.7419 1.0142 1.1954 0.8970 1.7986 1.2175 0.6564 1.6271 2.3087 1.1836 1.4958 1.0979 0.2644 0.9137 0.2644 0.5533 0.8885 1.3020 0.2644 0.8443 0.7722 0.8143 pipecolate 1.6825 3.4267 0.9496 0.3833 0.4159 0.6225 1.3659 3.0041 0.8649 0.3634 0.6370 1.8252 1.4502 3.0548 1.2749 1.6377 2.0185 0.2667 1.0587 0.4770 4.4467 0.3110 0.5176 3.4958 0.4942 0.3802 0.6002 0.4914 1.0345 3.7133 0.9423 1.5456 0.2917 0.6149 0.4087 1.8802 6.2628 2.5364 1.4487 1.6929 1.3689 0.9815 3.6373 1.1068 1.5396 1.1005 1.4243 4.2545 0.7173 0.2591 0.2464 1.0858 0.1970 3.5189 0.3646 0.5251 1.3973 0.9146 1.2106 0.5846 2.2024 0.6314 4.2644 0.4104 0.9371 0.9827 1.0736 0.9714 0.7079 1.0470 0.3514 0.4205 1.3998 0.4963 4.4052 0.8803 1.0009 1.4179 1.9044 5.6441 0.3902 1.0000 0.5057 0.2926 1.6566 5.1823 0.7577 0.8934 0.9126 0.9311 3.7840 1.4036 3.6858 0.4361 0.4487 1.3075 0.4418 4.8155 0.9558 1.0267 1.4828 1.2544 2.0241 0.5520 0.9255 1.9395 0.4925 1.5382 3.3009 0.5081 5.4365 1.5432 0.4490 0.3231 0.4814 1.5725 0.4425 0.0732 0.4197 2.8913 0.6664 0.3798 0.8377 1.1513 0.2686 4.4053 1.3252 1.7188 0.5572 0.5333 4.1810 0.6808 1.3728 1.7439 0.4800 0.3384 0.4344 2.1661 0.3854 0.3355 0.6153 0.6229 1.0776 5.7705 1.7891 2.8067 0.6516 0.6860 0.4714 0.6202 1.4795 0.5406 4.7017 0.9047 4.5430 1.0173 1.3408 1.6968 2.0048 0.9571 1.3708 1.2830 1.5439 1.0970 5.2848 0.4283 0.3246 1.2496 2.1172 4.9475 0.5702 1.5284 7.1972 0.7677 0.7861 2.5167 0.3761 1.2114 0.4335 4.4340 0.5238 1.7928 0.3792 0.4779 0.6250 0.1678 0.1749 prolylhydroxyproline 0.8878 0.7523 0.6010 0.4721 0.5613 0.6395 1.0343 0.9768 0.6414 0.6109 0.7220 1.1251 1.4586 1.1774 1.2659 1.4128 1.3538 0.7479 0.6319 0.6845 0.9065 0.7723 1.0000 1.1263 1.4316 0.9662 0.9603 1.4570 1.4097 1.3221 1.0162 1.3963 1.1708 1.0241 0.9279 1.2778 1.2919 1.3917 1.1681 1.2076 1.2619 1.2131 0.9945 1.0785 0.9136 0.9287 0.8926 1.7086 0.6950 0.9496 0.9692 1.4703 1.0524 1.0713 0.7318 0.8365 1.1003 0.5980 1.0431 1.2275 1.8210 1.3908 1.6340 1.4834 1.0207 0.9768 0.8826 0.9166 0.9462 2.2417 2.0924 1.7985 2.2523 2.4341 2.3585 1.8133 1.8193 1.4221 1.4829 1.5885 0.7507 0.7386 0.7467 0.5802 0.9961 0.9957 0.3597 1.3475 1.1909 1.1414 1.0537 1.3170 1.1787 0.8313 0.8331 1.1813 0.8904 1.0817 1.0935 0.9310 1.0020 1.0501 1.0608 0.8085 0.8776 0.9956 0.9228 0.7989 1.0398 1.5651 1.3570 1.0955 0.9531 1.1655 1.1580 1.6189 1.2013 1.0676 0.9639 0.9507 0.9701 1.0367 0.8743 0.9742 0.6232 0.8494 0.8043 0.8314 0.7148 1.0155 1.1120 0.7506 0.7812 1.0063 1.0909 0.7103 0.6089 0.9932 0.8133 0.7005 0.9942 0.8016 0.8633 1.0000 0.5458 1.2163 0.7531 1.0070 1.1771 1.0630 1.4725 1.2865 1.4683 1.3792 1.2040 1.2356 1.1241 1.2732 1.2326 0.9780 0.8494 0.8785 0.8822 0.8524 0.8207 0.4698 0.3597 0.4256 0.9072 0.8883 0.7649 0.7058 1.2331 0.9562 0.7410 1.3717 0.6512 0.7032 0.6961 0.9729 0.6385 1.1338 1.4936 1.0525 1.2734 0.9196 0.9609 proline 1.2215 1.0670 0.7038 0.3678 0.3099 0.4086 1.6853 1.8004 0.9796 0.4658 0.5794 1.6974 1.9054 2.2176 2.0434 2.0152 2.3454 0.2803 0.5231 0.3292 1.0229 0.2847 1.0221 0.8323 0.7602 0.3720 0.5734 0.5802 0.9895 1.2219 0.7453 1.2355 0.3665 0.3949 0.3906 1.2377 1.6504 1.3503 1.6106 1.4642 1.4698 1.8301 1.6090 1.6461 1.4585 1.7314 1.3165 1.4162 0.6685 0.2531 0.3171 1.3883 0.2857 1.1322 0.3156 0.2772 1.0409 0.5535 0.7322 0.4838 1.2459 0.6329 1.2371 0.5566 1.4527 1.3853 1.1833 1.0876 1.1892 1.0517 0.4335 0.3630 1.2499 0.6065 1.4621 1.1710 1.1422 0.8957 0.9283 1.0655 0.3866 1.0107 0.4384 0.4125 2.1755 2.0892 1.1767 1.0603 1.0783 0.9189 1.0950 1.0754 0.7713 0.4449 0.4144 0.7331 0.4953 1.1385 1.1236 1.1862 0.8962 1.0579 1.0902 0.5310 0.6909 1.6377 0.5852 1.2012 1.7592 1.5681 1.8898 0.9548 0.3540 0.3798 0.5088 1.2166 0.4790 0.3510 0.3815 1.0519 1.0668 1.0188 0.8773 1.0105 0.4137 1.3772 0.8526 1.2849 0.4267 0.5223 1.0234 0.4032 0.7173 0.9874 0.5576 0.6393 0.8943 1.3608 0.8342 0.7409 1.3324 0.5649 0.6494 1.6555 1.0009 1.5228 0.5623 0.6566 0.6439 1.0000 1.5494 0.7918 1.4988 1.2921 1.2283 1.1861 1.1991 1.0259 1.1375 1.2445 0.8233 1.2041 0.9776 1.1219 1.2262 0.2691 0.2689 0.5327 1.1865 1.1807 0.5960 0.7622 1.4947 0.7331 0.5449 1.4894 0.2965 0.6959 0.2804 1.2701 0.2760 1.1903 0.7584 0.6740 1.1924 0.3997 0.4182 propionylcarnitine (C3) 1.2299 1.3258 1.0674 0.7099 0.8861 0.9929 1.0943 1.0430 0.8993 0.6103 0.9962 0.9074 1.1499 1.1252 1.0448 0.9684 1.0604 0.5571 0.8545 0.6813 1.1732 0.6644 1.2730 0.9949 0.8214 0.7009 0.8669 0.7748 1.1002 1.4383 1.2145 1.5159 0.9125 1.3145 1.0360 0.8295 0.9301 0.9053 1.0099 0.9890 0.9585 1.5794 1.7033 1.4350 1.3684 1.4815 1.1841 1.0000 0.6831 0.6363 0.4086 0.9571 0.3285 1.0710 0.5402 0.9198 1.0861 0.7583 1.4805 1.6632 1.9867 1.7110 2.2009 1.5176 1.1508 1.0254 1.0051 0.9596 0.9073 0.6545 0.6676 0.7995 0.8058 0.7051 0.7771 1.0792 1.1978 1.0180 1.0481 1.0475 0.7775 1.2829 1.1818 0.7869 1.4219 1.1803 2.0121 1.8989 1.4964 1.6524 1.7459 1.7413 1.0365 0.8411 0.9129 1.1731 0.9422 0.9696 0.9548 0.8513 0.7799 1.0313 1.0235 0.9346 0.9968 1.9227 0.8776 1.2969 1.5398 1.2851 1.4653 1.1947 0.8918 0.7613 0.8734 1.3811 0.5247 0.7068 0.5895 0.7382 0.9405 0.8869 0.6666 0.6792 0.7663 1.0422 0.9592 1.1696 0.7942 0.8256 1.2481 0.8889 0.9879 1.2154 0.8808 0.7758 0.7656 1.0721 0.8996 0.7996 1.0795 1.1220 1.1040 2.1159 1.6311 2.0627 1.3726 0.8382 0.8830 0.9978 1.2387 0.8536 1.0146 1.4821 1.7109 1.5481 1.5974 1.1607 1.6941 0.9261 0.6521 0.8373 0.9155 0.8278 1.1961 0.6471 0.5373 0.9601 1.1551 1.3042 0.8413 1.2713 2.2307 1.2070 1.1553 1.9214 0.7469 1.0199 0.7905 1.5200 1.1006 0.8432 0.7049 1.5817 0.9469 0.5087 0.6203 pyridoxal 0.8149 0.7586 0.8257 0.9291 0.9493 0.9495 0.9338 0.8711 0.9601 1.0000 0.8203 0.9402 0.9560 0.8215 0.9143 0.8421 0.9315 0.9103 0.7922 0.9606 0.9724 0.9691 0.8626 1.0060 0.9748 0.9186 0.8448 0.8467 1.0848 0.9600 0.9574 0.9491 1.0695 0.9639 1.3188 1.0358 0.9159 1.0750 1.0853 1.0271 0.9309 0.8581 0.9462 0.9122 0.9231 0.9815 0.9489 1.2130 1.0134 1.2215 1.1921 1.0657 1.1609 1.1097 0.9202 1.1442 1.0098 1.0576 1.2304 1.0219 1.1150 1.0578 1.0535 1.0279 1.2019 1.1041 1.0016 1.2252 1.1866 0.8642 0.8187 1.0278 1.0136 1.1008 0.8056 1.1387 1.2994 1.8569 1.1534 0.9119 1.0373 1.1171 1.2194 0.9691 1.1043 1.2337 0.9545 1.0979 0.8615 0.9177 0.7620 0.7041 0.8186 0.8856 0.6862 0.8426 0.9984 0.9020 1.0670 0.9812 0.9766 0.9573 0.9583 0.9199 0.9930 1.2198 1.1806 1.0270 1.0617 1.1326 0.9558 0.8529 0.7117 1.1387 0.9723 1.1191 1.4331 1.0135 1.0939 0.8626 0.8457 0.7546 0.8835 0.8669 0.5006 0.8962 0.7957 1.0080 0.8904 1.1760 1.5049 1.4013 1.2913 1.1591 1.2294 0.9632 0.9651 0.9694 0.8678 1.0708 1.0649 1.0191 1.2869 0.7780 1.2316 0.8530 1.0911 1.0118 1.1141 1.2485 1.0021 0.9631 0.9622 0.9855 1.1325 1.0708 1.1487 1.1893 1.2403 1.0831 1.1970 1.1732 1.2604 1.2057 1.1561 1.0481 0.9689 1.1075 0.8687 1.0571 0.9131 1.1940 1.0311 0.9928 1.1068 1.2031 1.0249 0.9518 1.0106 1.0817 0.9932 0.8558 1.0222 0.9451 0.8112 0.9209 1.1116 pyroglutamine* 2.3888 2.3618 1.8323 1.4565 1.4246 1.5609 1.1465 1.2349 0.9267 0.6625 0.8174 6.5045 7.4220 7.0431 7.4188 7.5606 7.6565 0.5878 0.7730 0.8349 0.7928 0.7187 0.7758 0.6266 0.6889 0.5565 0.5904 0.4936 0.7166 3.4611 3.3189 3.7257 2.6452 2.9292 2.5976 0.7718 0.9435 0.9474 0.8122 0.6984 0.7990 0.8889 0.7686 0.8576 0.7747 0.9718 0.8535 0.9577 0.8993 0.6916 0.7777 1.0149 0.7502 0.7150 0.5248 0.5197 0.7346 0.5793 4.3663 4.2314 5.4551 4.0626 4.7750 3.8576 0.6678 0.6774 0.6538 0.6385 0.6169 0.4550 0.4496 0.3587 0.5164 0.5947 0.4760 1.2908 1.0737 1.0064 1.2983 1.4061 0.6607 0.6170 0.6114 0.6719 0.8853 0.9662 2.5020 2.3955 2.3446 2.3958 2.4065 2.5506 0.7021 0.5628 0.5235 0.7603 0.4989 1.2840 1.3129 1.2569 1.3875 1.2508 1.3920 4.6789 4.5596 4.9516 4.6366 4.0833 4.8716 2.8172 2.8283 2.8984 2.3448 1.6144 2.3205 1.7493 1.4181 1.3498 1.4981 0.8564 0.8062 0.7747 0.7131 0.8902 0.8606 1.0887 1.0471 1.0051 1.1390 0.9949 1.1493 0.9688 1.0912 1.2300 0.9682 0.4775 0.5734 0.6011 0.4218 0.5078 0.5698 2.0247 2.6115 2.6599 2.5789 2.8728 2.2964 0.8342 0.8508 0.7844 1.0330 0.8503 1.0576 3.2301 3.4605 3.7100 3.4555 2.9081 3.7071 0.8326 0.9488 0.8144 0.9169 0.9235 0.9224 1.2766 1.0573 1.9044 2.3133 2.0991 0.9469 1.2014 1.8328 1.0672 1.1945 1.4503 0.4862 0.6313 0.5495 0.9056 0.5830 1.1790 1.0000 0.9109 1.0727 0.8335 0.7597 S-1-pyrroline-5-carboxylate 1.1413 0.7269 1.7977 0.5489 0.5814 0.6108 1.2504 0.7134 0.4802 0.6068 0.4962 1.0000 1.4124 0.6168 1.5087 0.8593 0.7003 0.2038 0.7232 0.1587 0.8929 0.2028 1.1377 0.6480 1.0659 0.2869 0.6296 0.8115 0.9466 1.6093 1.4996 1.5303 0.6820 0.6476 0.4784 0.8565 1.4375 1.0125 1.5870 0.5612 0.5428 1.5214 1.1640 1.5002 1.7265 1.4203 1.3040 1.2909 1.2832 0.1587 0.3794 1.1980 0.4312 0.9375 0.2454 0.3231 1.0498 0.6446 1.2755 0.5689 1.7892 0.9793 1.6886 0.7879 2.1181 1.9662 1.7407 1.4003 1.5658 0.7793 0.5269 0.8215 1.1718 0.4748 1.3993 1.5361 0.4962 1.2267 1.5079 1.2900 0.1587 1.2044 0.7353 0.1587 1.0541 1.0555 1.7618 0.9321 0.9694 1.1273 0.8767 1.1986 0.8661 0.5565 0.1895 0.9113 0.8611 1.0207 1.4154 1.2404 0.6165 1.1906 0.9411 0.8214 0.8389 2.0487 1.2087 1.7378 2.4092 1.5230 1.7831 1.3343 0.6081 0.6356 0.7847 1.0301 0.1587 0.5431 0.2371 1.0367 1.2317 1.1391 0.4265 1.1003 0.1587 0.8773 0.5748 1.1788 0.3392 0.4635 1.3450 0.4648 1.1066 1.1362 0.5205 0.1587 0.5993 0.9093 1.1529 0.8102 1.3742 0.6160 0.4759 0.9091 1.0353 0.9451 0.1587 0.8592 0.2531 1.4941 1.1148 1.0156 1.2551 1.5378 1.2941 1.5013 1.3275 0.9428 0.9702 2.0150 1.3020 1.9617 1.5501 1.8960 1.8888 0.4634 0.1587 0.7861 1.2682 1.2692 0.7314 0.6797 1.0991 0.7300 0.5380 1.2849 0.3471 1.7923 0.1587 1.0945 0.7108 1.0566 0.3278 0.6888 1.2353 0.1587 0.3048 sarcosine 0.8692 0.8381 0.6770 0.5262 0.4471 0.6634 0.8714 1.0000 0.6601 0.6638 0.6599 0.7543 0.8100 0.8221 0.9818 0.9387 0.7801 0.4622 0.5710 0.4776 1.0919 0.5812 0.9587 0.8922 0.6252 0.5598 0.9025 0.6709 0.7812 0.7620 0.5441 0.8796 1.2864 0.6777 1.3406 0.7195 0.7329 0.6091 1.6786 2.4664 1.0508 0.9523 0.8069 0.7133 0.6745 0.7317 0.4851 1.5890 0.8221 1.5206 0.7489 1.0751 0.9684 1.2233 0.7176 0.7632 1.2388 0.7265 0.9314 0.9588 1.1023 0.9865 1.1465 0.9427 0.9599 1.0788 0.9752 0.9210 1.0688 0.8609 1.0372 0.6643 0.9155 1.2484 1.0561 1.0687 1.3273 2.2416 1.1837 1.0295 0.8547 1.0995 0.9659 1.1733 1.2457 0.9852 1.0033 1.4429 1.1418 1.2893 1.0240 1.4341 0.9772 0.9001 0.8917 1.0763 1.0224 1.2100 0.7275 1.1839 0.8142 0.8407 1.0080 0.9291 1.1522 1.2872 0.9157 0.9827 1.0664 1.5725 1.1348 0.9824 0.8508 1.6959 0.8811 1.4063 1.5893 0.7387 1.5499 1.2026 1.2999 0.9110 1.8305 1.1160 1.3823 1.0714 0.8251 1.1647 0.6988 0.9771 1.5114 1.8216 1.3014 1.2059 1.6974 1.0447 1.4381 1.3673 1.3864 1.3903 1.1427 1.4461 1.9011 1.2078 1.5545 1.1511 1.5214 0.9637 1.2111 1.7301 1.1419 1.0977 0.9818 0.7554 1.1530 0.8920 1.3458 1.3625 1.3205 0.9967 0.8047 1.3360 1.2514 1.0666 1.1161 0.9812 1.2740 0.7089 0.6933 1.2111 0.7431 1.6101 1.6297 1.3258 0.8245 1.6520 1.1850 1.0796 0.8081 0.8596 0.8030 0.8142 1.4228 0.8357 0.8096 1.0255 1.0744 serine 1.3638 1.3898 0.8389 0.7729 0.6904 0.5348 1.1246 1.0508 0.5472 0.6813 0.6268 1.1163 1.1590 1.0633 1.1007 1.1257 0.9870 0.6234 0.6572 0.5941 1.3542 0.6080 1.3372 1.1796 1.4155 0.6347 0.7483 1.2182 1.4654 0.8595 0.5702 0.9134 0.6315 0.5245 0.5900 1.0339 1.0584 1.0000 1.0904 0.8753 0.9019 1.9694 1.6351 1.6046 1.5664 1.6019 1.6835 1.9412 0.7620 0.5462 0.7407 1.7809 0.7196 1.1467 0.5316 0.4627 0.8805 0.4818 0.7855 0.6550 1.2323 0.8801 1.2787 0.9070 1.5037 1.5200 1.4753 1.5649 1.7117 1.5835 0.7682 0.6833 1.9641 1.1641 1.9502 2.4385 2.2048 1.8031 2.1509 2.1289 0.6090 0.6591 0.4474 0.6344 1.2358 1.2025 1.0869 0.9507 0.7518 1.0954 0.8472 1.0361 1.1066 1.0257 0.9636 1.2668 1.0948 1.0472 1.1775 1.0738 1.0632 1.2011 1.1252 0.7742 0.6480 1.4514 0.8950 0.9595 1.3125 1.1624 1.0772 0.6974 0.4102 0.6185 0.8282 2.3211 1.0586 0.8194 0.8698 2.1490 1.8907 1.6233 1.6180 1.8503 0.5732 1.1618 0.6051 1.0955 0.4914 0.8903 1.2343 0.6590 0.8593 1.2773 0.9849 0.6219 0.6844 1.2060 0.8955 0.7763 1.1889 0.7289 0.7812 1.2284 0.8115 1.3382 0.7773 0.5450 0.6969 0.8334 1.2184 0.9309 1.1536 1.0575 1.0449 0.9654 0.9477 1.0536 1.0375 1.0151 0.8750 1.0983 0.9776 0.8993 0.9590 0.4664 0.4275 0.3831 0.7709 0.8214 1.0298 0.8213 1.4980 1.3169 0.9044 1.8105 0.7002 0.6851 0.6368 1.4341 0.4806 1.7712 1.1325 0.8927 1.6456 0.7948 0.7153 serotonin 0.8151 1.3102 0.9859 1.5893 0.9987 1.0868 0.1436 0.1960 0.2030 0.2160 0.2684 1.9614 1.5488 2.6507 2.3521 1.3034 1.8422 1.2223 2.0602 1.5141 0.3823 2.8604 2.2976 0.4130 0.8875 0.8329 0.7137 1.0660 0.5742 1.2498 1.4044 1.5543 0.3444 1.4194 1.1510 1.2886 1.1397 1.3213 0.3183 0.0761 1.2820 0.5747 0.4423 0.3870 0.4200 0.5407 0.2730 0.4627 2.5206 0.7965 1.3105 1.2655 1.4507 1.3385 1.7092 1.8125 1.6586 1.8668 0.5808 0.8112 0.7264 0.7296 1.1134 0.5999 1.1848 1.4591 1.9794 1.1870 1.7484 0.6935 1.0598 0.7083 0.6408 0.5230 0.7596 0.5889 0.4703 0.4002 0.3082 1.0556 0.9188 0.5351 0.5856 0.6935 0.4479 0.4076 0.8037 1.0916 0.9061 0.5778 1.2743 1.1610 3.0629 1.8906 2.8267 1.7408 4.8162 0.4253 1.6936 1.2177 1.0486 1.1480 0.7922 1.2822 1.5506 1.4666 1.0524 1.8637 1.4953 0.5170 0.5375 1.0078 2.0613 0.2002 0.7032 0.4970 1.0851 1.5766 0.8742 0.6182 1.0124 0.8039 0.2508 0.7243 0.2872 0.5732 0.5073 0.5593 0.5741 0.9392 1.0103 0.7989 1.1843 0.9000 0.9897 1.1253 1.6936 1.6867 1.5855 1.4365 1.1758 1.2393 1.0472 1.0000 1.2455 0.8912 0.8392 2.1166 1.9405 2.5702 2.4134 1.1790 1.5846 0.2503 0.4201 0.5022 0.4212 0.3095 0.3649 1.8185 1.4289 1.4910 1.6423 1.0734 0.8396 0.7862 0.5843 0.8297 0.4941 0.7113 0.8136 0.9945 0.6791 1.0024 0.7924 0.5382 1.3761 1.2253 1.2940 1.1313 0.9778 0.8414 0.8980 0.7908 1.3997 0.7688 1.3788 S-methylcysteine sulfoxide 2.0357 3.2341 0.9940 0.4306 0.3897 0.8450 1.3988 2.4006 0.6514 0.2450 0.6914 0.9850 0.9377 1.1442 0.9226 1.0000 0.9493 0.5346 0.9455 0.9437 2.7872 0.3661 2.0620 1.8025 1.6500 0.6283 0.5671 0.4284 1.2250 1.8593 0.6826 1.2274 0.3843 0.6261 0.3158 1.3061 2.6813 1.4483 1.8464 1.3482 0.9460 2.5909 1.7527 1.4566 1.5812 2.2974 1.6799 1.9198 0.6216 0.3107 0.1808 1.1012 0.1247 2.1958 0.3354 0.5074 1.2996 0.4781 0.7569 0.6782 1.4566 0.3988 2.0348 0.7422 1.5980 0.8176 0.6451 0.7132 0.8658 1.7011 0.3756 0.6524 1.6924 1.4132 2.6068 2.8762 1.9198 2.2606 2.1944 4.2489 0.2710 0.8045 0.5875 0.1691 2.3529 3.6950 1.6343 0.5348 1.0608 1.0473 0.8335 0.8687 1.7660 0.3391 0.7097 0.9691 0.7014 2.8159 2.0802 2.0121 1.8534 3.1907 2.1461 0.5584 1.3897 2.2409 1.0402 1.3544 2.7114 2.3162 4.0424 1.4328 0.7326 0.6329 0.6526 2.8050 0.8795 0.9856 0.5797 1.7920 1.7251 2.0499 1.0309 1.3445 0.3029 2.7772 0.9390 1.6453 0.8289 0.1813 1.3076 0.4580 0.4994 0.8562 0.7082 0.6541 0.5062 1.3274 0.4116 0.2756 0.8646 0.7513 0.8624 1.9403 0.9230 1.5810 0.4820 1.2450 0.7067 1.3897 2.3260 1.1896 3.4719 1.6939 2.0702 0.9110 1.2434 1.4444 1.1297 1.9478 1.3738 2.0905 1.3215 0.9192 2.0726 0.2113 0.0791 0.4359 1.2857 1.6301 0.8960 0.9904 3.9157 0.7039 0.9410 2.3422 0.3515 0.5598 0.1941 2.4035 0.3432 2.7308 0.4625 0.8659 1.6811 0.3277 0.3739 spermidine 0.7161 0.9783 0.7276 1.3269 0.4785 0.7462 1.4457 1.3338 1.6401 1.2332 1.5459 1.3804 0.8515 0.9013 0.9051 0.6887 1.4691 1.2556 1.7110 1.5940 1.1216 2.1926 1.9868 0.8466 0.8541 0.5848 0.6091 0.8598 3.6473 1.9940 1.5100 1.9205 0.4358 1.1736 1.8544 1.1168 1.2045 1.5186 0.5480 0.6088 1.1961 1.0311 0.8784 0.7780 0.6536 0.7369 0.8246 0.4640 1.4662 0.4489 0.6460 1.0480 1.1089 1.1011 1.4018 0.9331 1.4762 1.0036 0.4566 0.8603 0.9204 0.9257 1.0309 0.7276 1.1980 1.5406 2.3638 1.0846 1.3972 0.7871 1.0576 0.6662 1.1202 0.9972 1.2195 0.6700 0.4716 0.6721 0.1369 0.7665 1.3516 0.7239 0.9252 1.1219 1.0209 0.5823 0.9964 0.9949 1.2749 5.4327 1.3628 1.1897 1.2017 1.1566 1.0206 1.2224 1.3773 0.3394 0.9278 0.9086 0.9476 0.9903 0.6427 1.5823 1.4206 1.2894 1.6160 1.5327 1.3270 0.7368 0.9987 1.0163 0.9237 0.3959 1.0454 3.9006 0.5893 0.7472 0.6390 0.1478 0.5137 1.4290 0.2629 0.3860 1.6764 0.5665 0.6998 0.7214 0.6334 0.6709 0.5712 0.6337 0.8370 0.6307 0.6620 0.5994 0.8642 0.7306 1.0000 0.5804 0.6660 1.5884 1.5931 1.3851 1.6474 1.4911 1.4742 1.0419 1.1605 1.1193 1.6397 0.7389 1.4119 1.1544 0.9662 1.3136 1.0335 0.7442 0.9716 1.5422 1.2920 2.0410 1.4495 1.5808 3.5429 0.6970 0.6386 0.8992 0.5880 0.9542 1.2734 1.2042 1.7463 1.5274 1.5922 1.2430 0.8830 0.8865 0.7981 0.7852 0.6674 0.7797 0.8164 8.0262 1.1107 1.0612 0.6507 stachydrine 1.2565 1.5937 0.9399 0.6049 0.6770 0.6654 1.2239 1.5139 0.8810 0.5722 0.7108 1.0666 1.0562 1.3930 1.2463 1.0429 1.4221 0.6003 0.7323 0.5735 1.2009 0.5487 1.0751 1.2707 0.9148 0.5585 0.8717 0.6901 1.2019 1.8306 1.4058 1.7823 0.6879 0.8341 0.7808 1.1580 1.4367 1.3094 1.2910 1.0607 1.0550 1.2743 1.1791 0.8151 0.9547 0.7575 1.0174 1.2697 0.8700 0.3871 0.4617 1.1519 0.7677 1.6073 0.7883 0.7191 1.4370 1.0381 0.8490 0.5710 1.0167 0.7575 1.2697 0.7798 1.3334 0.7024 0.7821 0.7504 0.9844 0.6947 0.6558 0.2950 0.7196 1.1220 1.0131 1.0171 1.0308 1.1341 1.2563 1.8226 0.6263 0.7365 0.5283 0.4707 1.2333 1.3759 1.7773 1.0427 1.1247 1.6326 1.7024 1.5066 1.1173 0.5026 0.4334 1.0551 0.7773 1.4293 1.4447 1.0048 1.1922 0.8447 1.2065 0.6948 0.6284 1.2381 0.9539 0.8508 1.3196 1.1955 1.7909 1.0000 0.6794 0.7496 0.6750 1.6535 0.8989 0.7953 0.9384 1.2770 0.7484 1.0187 0.8465 1.0158 0.7324 1.4241 0.8359 1.2609 0.5571 1.0497 2.0944 0.9681 1.3571 1.5838 1.3600 0.4519 0.9589 1.2570 0.5722 0.6419 1.1074 0.7292 0.5263 1.2300 0.8526 1.0523 0.5964 0.7399 0.7792 0.9898 1.4559 1.0863 1.3172 1.5479 1.1883 0.8125 0.8323 0.9585 1.0264 1.4528 0.7266 0.4679 0.7871 0.6463 0.9952 0.5456 0.8700 0.7500 1.0869 1.4119 1.0836 1.2795 2.5339 0.9319 0.7649 2.1845 0.5509 0.8309 0.5354 1.4293 0.5124 2.2339 1.1816 1.7892 1.8776 0.9253 0.9150 succinylcarnitine (C4) 0.9327 1.1126 1.2971 0.5850 0.7457 1.0577 1.1344 1.4212 1.6665 0.7982 1.0000 1.2466 1.3027 1.3742 1.2158 1.5498 1.4357 0.4952 1.0170 0.5922 1.0618 0.6224 1.1917 1.1457 0.8365 0.5706 0.9689 0.4000 2.0670 1.5664 2.2560 1.4321 0.2031 1.1944 0.8295 0.9074 0.9553 1.1057 1.1018 1.0221 0.8015 1.2104 1.5114 1.1768 1.0358 1.0473 0.7695 1.0878 1.2715 0.3615 0.2031 0.9607 0.2031 1.0540 0.4958 0.5708 0.8733 1.1745 0.9010 0.5797 0.8312 0.5276 1.0604 0.6006 0.6744 1.0488 0.7556 0.4503 0.6433 1.1049 0.5458 0.6834 0.8668 0.6020 1.2374 1.0818 0.9696 0.8317 0.8256 0.2031 0.2031 1.4874 0.6555 0.5516 0.9838 1.1179 1.7624 1.7843 2.1175 4.5739 1.9548 2.0171 0.5655 0.4322 0.4085 0.6152 0.5762 0.5438 0.9046 0.7462 0.6148 0.8106 0.6830 0.5500 0.7607 1.0950 0.5755 1.4136 1.2147 1.3420 1.8746 1.4830 0.2031 0.7570 0.6206 2.0045 0.5451 0.5133 0.3576 1.0510 0.9365 1.3877 0.9830 1.0612 0.7199 1.1351 1.4703 1.1700 0.6243 0.9185 1.3096 0.7086 1.3063 0.9631 0.8401 0.7755 1.1174 0.9849 0.6840 0.6717 0.9615 0.6810 0.7713 1.1326 1.3388 1.0139 0.4801 1.1389 0.7984 1.8339 1.4151 0.5779 1.2336 1.8695 1.7849 1.6118 1.5714 1.3553 1.5837 1.0938 1.1061 1.1451 1.2309 1.0562 2.0731 0.2031 0.4148 1.2647 0.9298 1.3688 0.5138 1.1508 1.4015 0.2031 0.7598 1.3686 0.5400 1.5234 0.7148 1.0201 0.6869 0.6458 0.5718 3.6038 0.2031 0.2639 0.2780 taurine 0.8904 1.1092 0.8827 1.2040 0.9969 1.0000 1.2158 1.1714 1.3452 1.1687 1.2252 1.1461 1.1120 1.0830 1.3009 0.8976 1.1714 1.1692 1.4690 1.2895 0.6836 1.6589 1.4227 0.7428 0.9257 0.8872 0.7443 1.0018 0.8212 1.1805 1.2149 1.3160 0.5753 1.0739 1.1043 1.1099 1.1879 1.3246 0.7071 0.5113 1.0546 0.9365 0.8527 0.7833 0.8494 0.9308 0.7359 0.7557 1.3038 0.7243 0.9822 1.1355 1.0982 1.2991 1.3364 1.1915 1.4805 1.4196 0.9066 0.9973 1.0815 1.0066 1.1361 0.8927 0.9404 1.1352 1.3961 0.9203 1.0024 0.7092 0.9370 0.7461 0.9674 0.9136 0.9098 0.8684 0.8058 0.5660 0.6772 0.8755 1.3690 1.0738 1.1087 1.2529 1.1010 1.0466 0.9095 0.8892 0.9334 0.9523 1.1452 1.0370 1.3981 1.0892 0.9982 1.1275 1.4538 0.6934 1.0527 0.9595 0.8530 1.0230 0.7882 0.9315 0.8079 0.9475 0.8101 0.9323 0.9846 0.8792 0.9517 1.0646 0.9816 0.5988 1.0520 0.9262 0.8480 1.0661 0.8490 0.7274 0.8960 0.9227 0.5053 0.7580 0.4654 0.8275 0.7301 0.7912 0.6970 0.7856 0.9450 0.7243 0.9186 0.8672 0.7774 0.9932 1.1894 1.1050 1.2547 0.8581 1.0556 0.9701 1.1697 1.0660 1.2662 1.1182 1.0940 1.1921 1.2012 1.1469 1.5903 0.9977 1.1930 0.8652 1.0712 1.1160 0.9827 0.9442 1.0262 1.1871 1.1986 1.2127 1.2619 1.0604 0.9782 1.0486 0.7332 1.0609 1.0225 1.1487 1.1082 1.0130 1.1442 1.2040 1.1947 1.0209 0.9380 0.9547 0.8841 1.0010 0.7869 0.9698 0.9603 1.0109 1.1810 0.9278 0.8989 theobromine 3.3486 3.4408 4.1282 2.5883 4.3304 4.9768 0.2122 0.5670 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.3421 0.2122 0.2122 2.9172 0.2122 0.2122 0.6196 0.2122 0.6891 2.7658 1.0971 1.2454 0.2122 0.3506 0.2122 0.2122 0.4314 0.2122 0.2122 0.2122 0.2122 0.2122 4.3337 0.2122 0.8685 0.3750 0.5777 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 13.6307 0.2122 0.7757 3.7486 3.1162 0.9013 0.2899 1.0000 0.2122 4.5770 0.2122 0.2122 0.2122 0.6789 0.2923 4.1833 0.2819 0.2122 0.2122 0.2614 0.2122 2.3482 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.5765 0.2187 0.2122 0.3252 0.8394 3.2688 0.8620 0.2122 0.2122 0.2122 0.2122 0.2122 0.3223 0.2122 0.2122 0.2122 0.3575 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 1.0328 7.8011 0.8567 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 2.7503 0.3195 0.2122 0.6788 0.8131 0.2122 17.5534 3.2713 3.7350 0.8460 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.9672 0.2122 0.2122 0.2607 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.5459 0.5552 0.2122 1.2683 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.5754 9.5501 3.5028 10.2568 1.5147 28.1080 0.4886 0.2122 2.8246 3.1393 8.4987 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 0.2122 5.8854 0.2122 1.1800 1.3867 0.2122 0.3115 thioproline 0.9433 0.9385 1.1290 0.7704 0.7834 0.8437 1.0965 1.0891 1.1698 0.8547 0.9459 1.3604 1.3425 1.3210 1.3247 1.3977 1.3226 0.9002 0.9525 0.7199 0.8603 0.8086 0.7162 1.0811 0.8379 0.8255 1.1373 0.7833 0.7102 1.2163 1.1210 1.0008 0.8548 0.7761 0.8881 1.1569 1.0719 1.0438 1.2544 1.8695 1.0441 0.9007 0.8552 0.8967 0.7518 0.8717 0.9008 1.0649 0.9684 0.9213 0.8368 1.0147 0.7429 0.8517 0.7023 0.7771 0.9574 0.8871 0.9078 0.9275 0.8965 0.9413 0.8794 0.8236 0.9692 1.2125 1.0297 1.0656 0.8501 0.9367 0.7523 0.8243 0.9564 0.9058 0.8634 1.0551 1.1429 2.0274 1.1351 0.9900 0.8961 1.1197 0.8087 0.8871 1.1282 1.0336 1.0651 1.0383 0.9100 0.5743 1.0262 1.3179 1.0438 0.8761 1.0269 1.0469 1.0625 1.0184 1.1894 0.9256 1.1175 0.9992 1.0789 0.7560 0.8062 1.0029 0.8826 0.9418 0.9611 1.2723 1.1882 1.1050 0.7915 1.4272 0.9881 0.9118 0.9318 1.0159 0.8451 0.7286 0.8265 0.5331 1.1893 0.7967 1.0676 1.2126 1.2592 1.2590 0.9200 0.9026 1.0143 1.0922 1.1843 1.1527 0.9341 0.8866 1.0320 1.0418 0.9343 0.9102 0.9859 0.9714 1.1011 1.1647 1.0975 1.0407 1.0000 1.3007 1.2508 1.5808 1.5386 1.1231 1.3174 0.8976 1.0968 1.4645 1.1973 0.9815 1.0458 1.1556 1.2459 1.2472 1.3402 1.1716 0.7755 1.0167 0.7570 1.0131 1.1059 1.1653 0.9114 1.1331 1.0792 0.9698 0.9976 0.9863 1.0937 1.1916 0.9776 1.2613 0.8598 1.0592 1.1040 0.9473 1.0748 0.9766 0.8664 threonine 1.6749 1.4497 0.7551 0.5292 0.3324 0.3937 1.4412 1.3328 0.6530 0.4142 0.4944 1.4076 1.6841 1.8563 1.5052 1.6423 1.7415 0.3157 0.5219 0.3881 1.2100 0.3059 1.2610 0.8450 0.7180 0.2985 0.5303 0.4920 1.1455 1.1717 0.5763 1.0889 0.3575 0.3502 0.4256 1.0784 1.4999 1.2297 1.3612 1.4026 1.4668 1.5937 1.2800 1.5881 1.1478 1.4429 1.1312 1.6899 0.6400 0.2855 0.3762 1.5716 0.3217 1.1165 0.3167 0.2680 1.0069 0.4138 0.5537 0.4269 1.1776 0.5513 1.1180 0.4620 1.5696 1.7673 1.6301 1.4835 1.2678 1.6027 0.4350 0.4054 1.9794 0.5180 1.8393 1.7145 1.7346 1.0733 1.3042 1.4705 0.4394 0.6358 0.3813 0.4168 1.8350 1.8267 0.9931 1.0504 0.9700 0.9755 1.1099 1.0564 0.8095 0.5026 0.5136 0.8220 0.5867 1.0861 1.3161 1.3259 0.9863 1.3542 1.1818 0.6133 0.7271 1.6103 0.7363 1.0592 1.6160 1.4200 1.3845 0.6490 0.3409 0.3431 0.4643 1.8387 0.4838 0.4407 0.4799 1.3706 1.4429 0.9111 1.2479 1.4713 0.3892 1.2270 0.6851 1.2814 0.3766 0.4828 1.0595 0.3169 0.6896 1.1047 0.5368 0.5641 0.8917 1.3764 0.6872 0.5747 1.4492 0.5400 0.5322 1.6810 0.8710 1.5986 0.5518 0.5768 0.5664 1.0000 1.7592 0.6907 1.7317 1.1841 1.1505 1.2254 1.1901 0.9294 1.1005 1.2669 0.9671 1.4410 1.1676 1.4817 1.2378 0.2711 0.2561 0.4544 1.3683 1.2518 0.4596 0.4886 1.3116 0.5902 0.4333 1.3129 0.3064 0.6593 0.3014 1.4137 0.2956 1.5441 0.7339 0.7010 1.4195 0.5092 0.5196 tiglyl carnitine (C5) 1.0471 0.7905 0.5685 0.6823 0.9343 0.7683 1.1468 1.0179 0.3995 0.8052 0.6301 1.1365 1.3109 1.1072 1.3222 1.4269 1.3217 0.9745 0.5469 0.8948 0.7175 1.2957 0.4239 0.6468 1.1698 0.7946 0.5055 1.3926 1.2025 1.0163 0.6064 1.1376 0.6479 1.1289 0.7367 1.2087 1.0815 1.2996 1.6292 0.8792 1.2843 1.1257 1.2592 1.2823 1.1004 1.4301 1.0566 0.7046 0.3995 0.5849 1.1837 0.6921 0.4701 1.4155 1.5356 1.6024 1.4126 0.7987 0.5731 1.1252 1.2637 1.3276 1.1929 1.2790 0.5056 0.6689 0.8090 0.9706 1.0443 0.5993 1.1651 0.9666 1.4260 1.3132 0.9362 0.7753 0.3995 1.0488 0.8804 0.3995 1.6010 0.8105 1.1729 1.1433 1.3253 0.8126 1.5116 1.2543 1.1591 1.6072 1.2870 0.8774 1.1274 1.5428 0.8633 1.3003 1.1163 1.0837 0.8246 1.2597 0.7181 0.9911 0.8556 1.2080 1.1914 1.0559 1.7709 0.8780 0.7142 1.2510 1.2080 0.9025 0.7326 1.2355 1.2497 0.5603 1.0604 0.4124 0.3995 0.9081 0.8259 0.7772 0.8379 0.7500 1.1651 1.1419 0.9407 1.0774 1.0000 1.0452 0.7570 0.6286 0.5591 0.6110 1.1331 0.8326 0.3995 0.8696 0.7507 0.7868 0.3995 1.1971 1.0066 0.6905 0.7688 1.2799 1.2617 0.7318 0.8604 0.8986 0.9405 1.0707 0.9733 0.9927 0.3995 0.9629 1.2933 1.0278 0.7502 1.4055 0.7118 1.6316 0.9596 1.1050 1.4907 0.8015 0.6685 0.3995 0.3995 1.1634 0.7725 0.6288 0.9934 1.3582 0.7490 1.6412 0.6595 0.8046 0.7219 1.2173 0.9092 0.3995 1.5613 0.3995 0.3995 0.9238 0.7574 hydroxyproline 1.2122 0.7901 0.5855 0.3949 0.5699 0.6956 1.5217 1.2287 0.6450 0.6875 0.8134 1.2473 1.5893 0.9603 1.7445 1.0545 1.2226 0.8060 0.5742 0.5220 1.0649 0.4698 1.2961 0.7294 1.1468 0.4122 0.4701 0.9081 0.9378 1.2194 0.9197 1.4124 0.6886 0.7043 0.7005 1.2286 1.5007 1.4555 2.0015 1.1031 1.4155 1.9194 1.4295 1.2663 1.0555 0.9168 0.7158 1.0835 0.5131 0.4324 0.4016 1.1322 0.4594 1.0720 0.4826 0.5549 0.9174 0.6736 0.7357 0.7777 1.2884 0.9831 1.2777 1.0780 1.0169 1.1362 1.0175 0.9717 0.9749 1.1709 0.7606 0.8162 1.4328 1.5258 1.0801 2.1190 1.4855 1.0289 1.1757 1.4425 0.5008 0.8054 0.6352 0.7067 1.5203 1.3383 1.9331 1.4040 1.2117 1.2166 1.3828 1.3728 0.9470 0.8915 0.6720 1.1878 0.9052 1.1111 1.5505 1.1517 1.1303 1.5494 1.0224 0.6620 0.7781 1.1963 1.0000 1.0883 1.1340 1.7502 1.5300 0.8169 0.7361 0.7613 0.7469 1.4030 0.9354 0.6489 0.5752 0.8980 1.1504 1.4959 0.7521 1.0518 0.3913 1.1151 0.9230 1.1646 0.6036 0.7390 0.8763 0.5046 0.5582 0.9705 0.8592 0.9811 0.8424 1.5244 1.1829 1.1575 1.4009 0.8064 0.7389 1.0350 0.6558 1.1913 0.5864 0.8061 0.6738 1.0103 1.1013 1.3564 1.1206 1.9886 1.4864 1.2552 1.2016 1.1266 1.1874 1.5037 0.8518 1.4010 1.2104 1.0655 0.9777 0.5867 0.4724 0.6919 1.4801 1.3213 0.7086 0.5407 1.1433 0.8080 0.6098 1.3899 0.6666 0.7393 0.3889 1.1924 0.5660 1.3480 0.8556 0.8894 0.8312 0.5844 0.7690 trans-urocanate 1.3240 0.9215 1.2811 0.8239 1.1382 0.8471 0.7641 1.0769 0.3926 0.6780 0.8692 0.5516 0.6574 1.4800 0.4849 0.7033 0.4950 1.4236 3.7236 2.6897 3.2298 2.3951 2.2112 0.9574 2.8349 0.7195 1.2993 0.9576 0.9524 1.0379 1.7887 0.8906 1.9303 1.6184 0.9752 1.6330 1.1068 1.0376 2.0393 0.8726 3.1893 0.5757 0.5369 0.6901 0.5829 0.8386 1.0000 1.4324 0.7154 1.2632 0.5792 0.9992 0.7187 0.8000 0.5092 0.5905 0.5321 0.7633 0.9178 0.6807 0.7819 0.5271 1.2514 0.6227 0.5005 0.7057 0.7346 1.2605 0.8941 1.4990 1.5833 2.4975 1.1317 1.8321 1.6754 1.5339 2.1660 2.9951 1.5662 1.2385 0.6915 2.7603 0.6434 0.6259 0.8951 0.5242 1.0021 0.5651 0.6558 0.5639 0.9979 0.6612 1.8414 1.1296 2.3698 1.5809 2.7810 1.6791 0.7014 0.6202 0.6056 0.7043 0.3771 0.5345 1.0805 0.4656 0.3821 1.1042 0.5514 0.7333 0.8026 1.6024 0.2655 1.1975 1.2846 0.7978 0.5321 0.4143 0.6304 1.0181 2.0217 1.3775 2.9439 1.2390 1.4061 0.9742 1.3951 0.9878 0.9880 1.2458 1.0614 0.8981 1.5134 0.8477 1.4700 0.9535 0.9405 1.2885 0.5544 0.7492 0.9919 1.1607 1.7110 2.1690 1.3324 2.3363 1.6629 1.4597 1.0991 1.2201 1.3470 0.8256 1.1992 1.1295 1.3352 1.5682 1.6406 1.3356 1.3451 0.6208 0.8001 0.7924 1.2186 1.1910 0.6633 0.6304 0.5130 0.9140 1.1730 1.1198 0.9798 1.6911 2.6437 1.5472 1.2114 1.7486 0.7032 1.7576 0.8319 3.0901 1.5438 1.0788 0.7521 1.0378 0.7743 0.7375 0.5044 trigonelline (N'-methylnicotinate) 0.7913 2.1502 0.3978 0.2675 0.7227 1.3899 0.7292 2.2199 0.3957 0.7932 1.3805 0.5227 1.1408 1.6850 0.6914 1.5322 1.0356 0.2761 0.1959 0.7101 1.6074 0.3282 0.5283 4.5711 1.1320 1.9562 0.8174 1.5536 1.4762 4.7597 0.8103 1.8693 0.4161 1.4510 1.0005 0.6266 2.8289 1.0450 0.7257 1.4453 0.8461 1.0082 2.2944 1.1279 0.6811 1.6050 0.4597 3.7971 0.6431 1.1458 0.7343 1.0714 0.4165 4.1773 0.6726 1.0495 1.0552 0.5762 0.4655 1.4171 0.9662 0.6301 3.5480 0.9134 0.6915 0.7481 0.7334 0.4279 0.5129 0.8264 1.2183 1.1081 1.2631 1.6283 2.9889 1.0801 1.3311 0.7183 1.1056 3.1363 0.7568 0.7142 1.4858 0.4326 1.2200 2.5614 1.1710 1.0670 2.3331 0.8995 3.6712 1.2128 1.8891 0.6742 0.9563 0.6825 0.3426 4.2574 0.7950 0.9836 0.4413 2.1916 0.7461 0.4341 0.6057 0.5810 0.5966 0.2986 1.4373 2.5251 9.9074 1.7551 1.8978 0.7159 1.0714 1.3432 0.6159 1.3520 0.7158 2.7565 1.9046 0.9136 0.7317 1.2660 0.2221 2.6786 0.4775 0.8144 0.6773 1.3103 3.1536 1.5933 0.6812 1.0988 1.0104 0.6837 0.3028 1.5739 0.7169 0.3642 0.6186 0.6944 1.4994 2.0231 0.3532 0.7113 1.0000 1.6183 0.8487 0.9330 1.5976 0.9986 4.3678 0.8671 4.7432 0.9995 1.6313 0.5811 0.8585 0.9298 1.3093 2.2958 1.9989 1.0078 8.2938 0.9534 0.5226 1.0207 2.0936 8.4439 0.7353 0.6594 8.4614 1.1418 1.3798 1.6827 0.3895 0.3972 0.3197 3.0102 0.4962 1.8042 0.4785 0.7694 1.3904 0.6928 0.9867 trimethylamine N-oxide 0.9971 1.2551 0.7726 0.4058 0.7397 0.5442 1.2888 1.4859 1.0229 0.7401 0.7105 1.2047 0.8892 1.6013 1.6033 1.4692 0.8782 0.1523 0.1710 0.2735 0.5428 0.2114 0.2821 0.6662 0.5985 0.3524 0.5886 0.3607 0.4024 1.4497 1.2621 1.2025 1.0764 0.3602 0.9509 1.4801 1.3603 0.9674 1.1328 0.8190 1.0877 1.4277 1.4250 1.7196 0.9756 0.7703 0.6836 0.7755 0.7452 0.3168 0.6490 1.0114 0.3992 1.4648 0.6324 0.6363 1.2970 1.0107 0.7761 0.5009 0.9880 1.1794 1.1124 0.7242 0.5652 0.3884 0.6293 0.6287 1.3378 0.8192 0.9123 0.7919 0.7707 1.0610 1.2954 0.9595 1.1605 0.9109 1.0926 0.8193 0.5652 1.3151 0.5774 0.9571 1.7304 2.2852 1.7841 1.2455 0.9423 1.0964 1.7798 1.4726 1.6632 0.9301 0.6187 1.0968 0.8191 1.5390 1.8890 1.1938 2.0851 1.2577 1.3449 1.3850 0.7327 1.3115 0.9346 0.9547 1.3437 1.5237 2.0714 0.9516 0.8295 1.0079 1.3593 0.3760 0.7969 0.5937 0.3667 0.9393 0.7217 0.9761 1.0371 1.5651 0.3852 1.4772 1.0612 1.2522 0.2915 0.9188 0.8126 0.6673 0.6804 1.0520 0.9658 0.5499 1.3646 1.1692 1.4542 0.8719 1.3652 0.8841 0.5746 1.9465 0.8347 1.3744 1.0000 0.8164 1.1041 1.3784 1.4947 1.2359 3.5592 0.5341 1.1231 1.4302 1.0651 1.0339 1.4574 0.8773 1.3704 1.3251 1.0368 1.0607 1.7088 0.9893 0.4859 1.6329 2.0531 1.4660 1.0688 1.8859 1.7625 2.2206 1.0249 1.3257 0.8211 1.0555 1.4361 1.1217 0.6711 0.6979 0.7984 0.7043 1.0202 0.6688 0.5434 tryptophan 0.9514 0.9269 0.8541 0.9626 0.8345 1.0138 1.0207 0.9967 0.9582 0.9570 1.1077 1.0088 1.2102 1.1813 1.0943 1.1023 1.1944 0.8630 0.9584 0.9015 1.0602 0.9726 1.1360 0.9418 0.9947 0.9565 1.0467 0.9784 1.0145 1.2411 1.0408 1.2408 1.0777 1.1823 1.1181 0.9746 1.1566 1.0997 1.0855 0.9342 1.0254 1.0176 0.9914 1.1151 1.0048 0.9758 1.2562 1.0590 0.9004 0.8499 0.8245 0.9495 0.8871 1.0361 0.8691 0.7962 1.0053 0.8182 0.9784 1.2340 1.3171 1.1841 1.2470 1.2235 0.9119 0.9804 0.7348 0.7278 0.8604 0.8245 0.7545 0.8594 0.9103 0.8851 0.9443 1.2550 1.2042 0.9497 1.0798 1.1342 0.9708 1.0040 1.0686 0.8307 1.2294 1.3099 1.0652 1.0208 0.9384 0.9276 1.0411 1.0261 1.0337 1.0235 1.0307 1.1026 1.1758 1.0177 0.8931 0.9810 0.9109 1.0576 0.9650 1.0398 1.1590 1.2838 0.9911 0.9890 1.1626 1.0258 1.1016 1.0605 0.8536 0.8822 0.8950 0.9826 0.9418 0.9777 0.8845 0.7234 0.8666 0.7911 0.7226 0.7524 0.8471 0.9627 0.8415 0.9429 0.9706 0.9787 0.9887 0.9331 1.0457 0.9816 0.9629 0.9814 0.9530 1.1190 1.0797 0.9252 1.0719 1.2405 1.1624 1.2430 1.0528 1.3093 1.2851 1.1254 1.0568 1.0469 0.9697 0.9393 1.1295 1.0844 1.1555 1.1399 1.0829 0.9835 1.2200 1.2084 1.0578 1.2248 1.1553 1.2207 1.1781 0.8058 0.8045 0.8878 1.1203 1.0625 0.9654 0.8933 1.0947 0.9729 1.0524 1.0745 0.7171 0.8079 0.7728 0.7914 0.6724 1.0000 0.9117 0.9307 1.0160 0.9421 1.0634 tryptophan betaine 7.4877 7.2705 7.2274 5.3735 5.7041 7.2812 7.1794 7.5556 7.2009 4.6034 6.0047 0.3405 0.3665 0.3362 0.4356 0.3361 0.3555 0.6192 0.9372 0.8324 1.1222 0.7440 1.1357 0.2353 0.1492 0.1671 0.2164 0.1553 0.3249 1.6781 1.6223 1.7243 1.0960 1.3546 1.1738 0.9082 0.9757 0.8981 0.9020 0.9249 0.8404 0.1927 0.0798 0.0723 0.0725 0.0607 0.0696 6.3079 5.6790 4.3697 3.5719 6.2039 3.1596 0.1050 0.0539 0.0783 0.0972 0.0903 0.1616 0.1523 0.1666 0.1384 0.1804 0.1621 0.2795 0.2357 0.2317 0.2465 0.2314 0.8478 0.6636 0.6822 0.9282 0.7867 1.0000 1.3796 1.3338 1.5127 1.4173 1.5515 1.7225 2.3811 2.0186 1.5087 2.5646 2.5626 1.0693 1.0428 1.1269 1.7746 1.0851 1.1124 1.3287 1.0460 1.1715 1.4117 1.3329 0.4765 0.4394 0.4404 0.4460 0.4546 0.4637 0.6047 0.7894 1.1718 0.5860 1.0308 1.3318 2.1579 2.2846 2.3302 1.7314 1.3517 1.5558 0.6476 0.2635 0.2876 0.2305 1.3554 1.3396 1.3071 1.2507 1.2920 0.8072 1.2562 1.1374 1.1971 0.9572 0.3678 0.5226 0.3679 0.4777 0.4777 0.3808 0.1679 0.2070 0.1969 0.1697 0.2263 0.1940 0.9071 1.2815 1.7290 1.6269 1.7720 1.0536 0.2938 0.2406 0.3555 0.3921 0.2703 0.4132 5.0303 5.4972 5.1225 5.3123 5.5505 5.7005 1.2500 1.3733 1.2718 1.3473 1.1979 1.6848 0.8999 0.7081 1.4258 1.5536 1.5421 0.1534 0.1304 0.1471 0.1124 0.1120 0.1563 0.9935 1.2602 0.9472 1.3363 1.0489 15.9828 13.7674 21.7545 16.3104 12.1333 13.9615 tyrosine 1.5989 1.0432 0.9944 0.7701 0.6484 0.8025 1.3206 1.4740 0.8214 0.6472 0.9554 1.2229 1.3207 1.0866 1.4007 1.5399 1.3658 0.5131 0.4955 0.5871 1.1299 0.5436 1.0592 0.9585 1.0553 0.6512 0.7782 0.9593 1.1703 1.4033 0.8001 1.2485 0.7340 0.8397 0.8706 1.2789 1.5648 1.5569 1.6968 1.8256 1.0577 1.2904 1.1512 1.1423 1.0304 1.2526 1.0112 1.2715 0.5863 0.5198 0.6405 1.2909 0.5163 1.1131 0.5948 0.5344 1.2340 0.6454 0.7507 0.8817 1.2779 1.1032 1.2373 0.9261 1.2592 1.2111 1.1533 1.0382 1.0207 1.0766 0.4622 0.5633 1.3423 0.9095 1.0000 1.3547 1.2964 1.0164 1.2718 0.9902 0.7417 0.8921 0.7517 0.6835 1.7740 1.7186 1.0999 1.0804 1.1984 0.9330 1.2288 1.1522 0.9123 0.7266 0.5487 1.0048 0.7501 1.0248 0.9641 1.0199 0.8893 1.1894 1.1024 0.9240 0.9630 1.6068 0.9720 1.0428 1.6490 1.3807 1.3132 0.8825 0.2986 0.5792 0.7125 1.2486 0.6953 0.6309 0.6022 0.8565 0.9011 0.8020 0.6171 0.7594 0.4318 1.2272 0.8287 1.2743 0.7708 0.8664 1.1213 0.6577 0.8573 1.2070 0.8808 0.7644 0.8091 1.2140 1.0419 0.8896 1.1589 0.9350 0.9485 1.0301 0.8459 1.4462 0.9098 0.7929 0.7331 0.8692 1.1969 0.9368 1.1582 1.4082 1.3314 1.3368 1.3672 1.1964 1.3475 1.3864 1.0175 1.2967 1.1379 1.1877 1.3632 0.5014 0.4440 0.4579 0.9952 0.9600 0.7511 0.7732 1.3320 1.0518 0.8095 1.4966 0.4879 0.5751 0.5005 0.9799 0.4255 1.6297 1.1912 0.8400 1.5424 0.6484 0.7532 urea 0.8954 0.7562 0.8280 0.7759 0.9968 1.2619 1.0702 1.0996 1.1804 0.9041 1.3187 1.0709 1.0708 1.0658 1.0730 1.1394 1.1720 0.6693 0.6851 0.7951 0.6911 0.8440 0.7933 0.7454 0.7419 0.8733 0.8304 0.8315 0.8670 1.0607 1.0699 1.0862 1.1666 1.0847 1.0524 0.9053 0.9468 0.9604 0.8852 1.0163 0.9012 1.3634 1.0563 1.1865 1.1420 1.3271 1.1550 1.0000 1.0498 0.9758 0.7723 0.9781 0.6894 0.9761 0.9252 1.0496 1.0301 0.9218 1.2997 1.4761 1.3683 1.4231 1.1371 1.3792 1.0028 0.9972 0.9037 0.8562 0.7568 0.5142 0.5829 0.7312 0.5681 0.7166 0.5342 1.1194 1.2864 1.0117 1.0868 1.1016 0.8447 0.9835 1.2992 0.8297 1.0222 0.8082 1.1053 1.1037 1.2244 1.1810 0.9828 1.1635 0.8945 0.8131 0.8392 1.0852 0.9052 1.1077 0.9836 1.0418 1.0588 1.1588 1.1333 1.1735 1.1955 1.1698 1.0787 1.1721 1.0417 1.1053 1.1099 1.2532 1.3739 1.0559 1.0870 0.8853 0.8559 1.1142 0.8116 0.4872 0.6341 0.7260 0.3951 0.4833 0.7394 0.7261 0.8915 0.8630 1.1157 1.3303 1.2205 1.5930 1.3509 1.3346 1.3123 0.6156 0.7196 0.6342 0.7328 0.6401 0.7966 0.8627 1.0466 0.7323 0.9208 0.9574 0.9295 1.2883 1.1389 1.1633 1.2883 1.2149 1.0727 0.9082 0.9297 0.9077 0.9159 0.9066 1.0072 1.1529 1.0706 1.2268 1.1322 1.0484 1.2398 0.8777 0.6909 0.9966 1.0434 1.0378 0.8946 1.1501 1.4725 1.0027 1.0476 1.3702 0.6183 0.7187 0.6747 0.6059 0.8182 0.7098 0.9963 0.9776 0.8801 0.7689 0.9456 valine 1.1442 0.9302 0.8233 0.7097 0.7394 0.9461 1.3229 1.3608 1.0000 0.7926 1.1570 1.3424 1.4424 1.3358 1.3627 1.4952 1.3829 0.6161 0.6535 0.8706 1.0283 0.7413 1.0010 0.8803 0.4187 0.7173 0.6611 0.9425 0.4954 1.1857 0.9177 0.6502 0.7966 1.0308 0.8251 1.2505 1.1832 1.2652 1.2563 1.2771 1.0101 1.3967 1.3057 1.3694 1.2634 1.3259 1.2163 1.0743 0.6737 0.8803 0.6176 1.0480 0.5199 1.1204 0.6367 0.8580 1.0444 0.7054 0.9227 1.1664 1.3288 1.1330 1.2316 0.9990 0.9781 0.9866 0.8659 0.7919 0.8386 0.9776 0.8888 0.9221 1.1244 0.9202 0.9577 1.0207 0.9671 0.9400 1.0553 0.8856 0.7047 0.8532 0.8120 0.6195 1.1002 1.0692 1.3531 1.3426 1.2595 1.2060 1.1777 1.4288 0.9131 0.8707 0.8352 1.0233 0.8482 1.2021 1.1459 1.1933 1.2014 1.3842 1.0966 0.9429 1.1540 1.5196 0.9137 1.1816 1.3692 1.0651 0.9471 0.9125 0.5992 0.6151 0.7595 1.1969 0.7329 1.0125 0.8493 0.6462 0.7403 0.6624 0.5422 0.6452 0.6681 0.9972 0.8526 1.1677 1.0561 1.0182 1.0978 1.0812 0.9611 1.1929 1.0481 0.9766 0.9495 1.1069 1.0982 0.9251 1.1490 0.8698 1.1755 1.0737 0.9125 1.2986 0.9406 1.0794 1.0863 1.0013 1.2805 1.0315 1.1993 1.0601 1.2416 1.2251 1.2047 1.2032 1.2762 1.0323 1.0243 1.0962 1.0623 0.9977 1.0688 0.6153 0.4873 0.7166 1.0492 0.9186 0.7440 0.7912 1.3222 1.0128 0.8823 1.2502 0.4915 0.8031 0.5373 0.9035 0.3916 0.9784 0.9588 0.7074 0.9046 0.7024 0.7028 xanthurenate 0.2398 0.2398 0.2398 0.9471 1.1863 1.2156 0.4538 0.2398 0.2398 1.3290 1.5700 0.2659 0.9275 0.2398 0.2398 0.2398 0.2398 1.2916 0.2398 1.2303 0.2398 1.0686 0.2398 0.4027 0.2398 0.5174 0.2398 0.5969 0.2398 0.2398 0.2819 0.9572 1.6663 1.4773 1.6047 0.6764 0.9178 0.6221 0.7257 0.2398 0.2398 0.2398 0.4458 0.4022 0.2398 0.2398 0.2398 0.2398 0.2398 1.9291 1.0093 0.2398 0.8828 0.2398 0.9324 1.2825 0.2398 0.2398 0.2398 1.0048 0.2398 0.2398 0.2398 0.9952 0.2398 0.2398 0.2398 0.2398 0.2398 0.2398 0.2398 0.6510 0.2398 1.1321 0.2398 0.2398 0.6308 0.3338 0.2398 0.2398 1.3363 0.2398 1.4631 1.5618 0.2398 0.2398 1.0665 0.9367 0.6891 0.2398 0.2398 1.3268 0.5990 2.0960 0.5809 1.2629 0.6320 0.2398 0.2398 0.2398 0.2398 0.6606 0.2398 2.0766 0.9488 0.2398 1.7889 0.4739 0.2398 0.4946 0.2398 0.2398 0.2398 0.8955 0.9288 0.2398 1.1366 1.3267 0.9907 0.2398 0.2398 0.2398 0.2398 0.2398 0.2398 0.5859 0.2398 0.7271 0.7565 1.4928 0.7030 1.7369 0.2398 0.2398 1.5103 0.7976 0.2398 0.3397 1.3474 1.1182 0.7088 0.9841 1.3791 0.2398 0.2398 0.2398 1.5616 1.1867 1.2580 0.2398 0.2398 0.9821 0.2398 0.7871 1.4094 1.2392 0.8843 0.6685 1.2524 0.2398 0.2398 0.2398 0.8398 0.2398 0.2398 3.1878 2.7195 0.8687 1.2948 1.1375 1.1259 0.2398 0.2398 1.1762 1.2798 0.7397 1.6309 0.2398 1.2104 0.2398 1.2265 0.9148 1.5494 0.2398 0.7859 1.3244 1.6356 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention index MASS PUBCHEM KEGG (N(1) + N(8))-acetylspermidine 3080 188.1757 (R)-3-hydroxybutyrylcarnitine 2400 248.1493 53481617 (S)-3-hydroxybutyrylcarnitine 2340 248.1493 1-methyl-4-imidazoleacetate 2064 141.0659 75810 C05828 1-methyl-5-imidazoleacetate 1989 141.0659 6451814 1-methylhistidine 2755 170.0924 92105 C01152 1-methylnicotinamide 1940 137.0709 10129985 C02918 1-ribosyl-imidazoleacetate* 2006 259.0925 5117448 C05131 2-aminobutyrate 2059 104.0706 439691 C02261 2-aminoheptanoate 3160 146.1176 227939 2-methylbutyrylcarnitine (C5) 3050 246.17 6426901 2-methylbutyrylglycine (C5) 2000 160.0968 193872 2-methylserine 1652 120.0655 94309 C02115 2'-O-methylcytidine 2411 258.1085 150971 2-oxoarginine* 1760 174.0873 558 C03771 2-piperidinone 1675 100.0757 12665 2-pyrrolidinone 1262 86.06 12025 3-(cystein-S-yl)acetaminophen* 2420 271.0747 5233914 3-amino-2-piperidone 2065 115.0866 5200225 3-aminoisobutyrate 2190 104.0706 64956 C05145 3-formylindole 2736 146.06 10256 C08493 3-hydroxyhexanoylcarnitine (1) 2918 276.1806 3-hydroxystachydrine* 1049 160.0968 442640 3-methoxytyrosine 2555 212.0917 1670 3-methylglutarylcarnitine (2) 2687 290.1598 128145 3-methylhistidine 2670 170.0924 64969 C01152 3-phosphoglycerate 590 187.0002 724 C00597 4-acetamidophenol 1670 152.0706 1983 C06804 4-guanidinobutanoate 2320 146.0924 500 C01035 5-(galactosylhydroxy)-L-lysine 2755 325.1606 5-methylthioadenosine (MTA) 2752 298.0968 439176 C00170 7-methylguanine 2175 166.0723 11361 C02242 acetylcarnitine (C2) 2282 204.123 1 C02571 adenine 2221 136.0618 190 C00147 adenosine 2169 268.104 60961 C00212 AMP 1013 348.0704 6083 C00020 adipoylcarnitine (C6-DC) 2570 290.1598 71296139 alanine 1700 90.055 5950 C00041 alliin 1470 178.0532 87310 C08265 argininate* 2150 176.103 160437 arginine 2825 175.119 232 C00062 asparagine 1225 133.0608 6267 C00152 aspartate 1165 134.0448 5960 C00049 beta-alanine 1905 90.055 239 C00099 betaine 1064 118.0863 247 C00719 butyrylcarnitine (C4) 2860 232.1543 439829 C02862 caffeine 2106 195.0877 2519 C07481 carboxyethyl-GABA 2085 176.0917 2572 carnitine 1978 162.1125 10917 C00318 choline 1961 104.107 305 C00114 phosphocholine 700 184.0733 1014 C00588 citrulline 1520 176.103 9750 C00327 cotinine 2213 177.1022 854019 creatine 1947 132.0768 586 C00300 creatinine 2055 114.0662 588 C00791 cys-gly, oxidized 2947 355.0741 333293 cystathionine 2270 223.0747 439258 C02291 cysteine 1475 122.027 5862 C00097 cysteine s-sulfate 565 201.9838 115015 C05824 cysteine sulfinic acid 597 154.0169 109 C00606 cysteine-glutathione disulfide 2465 427.0952 4247235 cysteinylglycine 2132 179.0485 439498 C01419 cysteinylglycine disulfide* 2547 298.0526 cystine 2000 241.0311 67678 C00491 deoxycarnitine 2052 146.1176 134 C01181 dimethylarginine (ADMA + SDMA) 2850 203.1503 123831 C03626 dimethylglycine 1104 104.0706 673 C01026 ectoine 1980 143.0815 126041 C06231 ergothioneine 850 230.0958 3032311 C05570 formiminoglutamate 1880 175.0713 439233 C00439 fructosyllysine 2784 309.1656 123708 gamma-glutamyl-2-aminobutyrate 2380 233.1132 gamma-glutamyl-alpha-lysine 2784 276.1554 65254 gamma-glutamylcitrulline* 1644 305.1456 gamma-glutamyl-epsilon-lysine 2725 276.1554 7015685 gamma-glutamylglutamate 1775 277.103 92865 C05282 gamma-glutamylglutamine 1430 276.119 150914 C05283 gamma-glutamylglycine 1535 205.0819 165527 gamma-glutamylhistidine 2740 285.1194 7017195 gamma-glutamylisoleucine* 2940 261.1445 14253342 gamma-glutamylmethionine 2640 279.1009 7009567 gamma-glutamylthreonine 1750 249.1081 76078708 gamma-glutamyltyrosine 2518 311.1238 94340 gamma-glutamylvaline 2700 247.1289 7015683 glutamate 1500 148.0604 611 C00025 glutamine 1291 147.0764 5961 C00064 glutamine conjugate of C6H10O2 (1)* 2262 243.1339 glutamine conjugate of C7H12O2* 2780 257.1496 glutaroylcarnitine (C5) 2393 276.1442 71464488 glycerophosphoethanolamine 659 216.0632 123874 C01233 glycerophosphorylcholine (GPC) 672 258.1101 71920 C00670 glycine 1375 76.0393 750 C00037 hexanoylcarnitine (C6) 3358 260.1856 6426853 hexanoylglutamine 2629 245.1496 homoarginine 2882 189.1346 9085 C01924 homostachydrine* 1750 158.1176 441447 C08283 hydroxyasparagine 1149 149.0557 97663 C03124 hydroxy-CMPF* 2920 239.0914 hydroxy-N6,N6,N6-trimethyllysine* 2759 205.1547 imidazole lactate 2040 157.0608 440129 C05568 iminodiacetate (IDA) 830 134.0448 8897 C19911 indolin-2-one 2575 134.06 321710 C12312 isobutyrylcarnitine (C4) 2810 232.1543 168379 isoleucine 2800 132.1019 6306 C00407 isovalerylcarnitine (C5) 3085 246.17 6426851 kynurenine 2739 209.0921 161166 C00328 lanthionine 1730 209.0591 98504 leucine 2864 132.1019 6106 C00123 leucylalanine 2801 203.139 259321 lysine 2850 147.1128 5962 C00047 methionine 2526 150.0583 6137 C00073 methionine sulfone 1250 182.0482 69961 methionine sulfoxide 1272 166.0533 158980 C02989 methyl indole-3-acetate 3380 190.0863 74706 N,N,N-trimethyl-5-aminovalerate 2186 160.1332 N,N,N-trimethyl-alanylproline betaine (TMAP) 2470 229.1547 N,N-dimethylalanine 1370 118.0863 5488191 N1-Methyl-4-pyridone-3-carboxamide 1260 153.0659 440810 C05843 1-methyladenosine 2120 282.1197 27476 C02494 N1-methylinosine 1430 283.1037 65095 N2,N2-dimethylguanosine 2210 312.1303 92919 N2-acetyl,N6-methyllysine 2168 203.139 N4-acetylcytidine 1580 286.1034 107461 N6,N6,N6-trimethyllysine 2825 189.1598 440120 C03793 N6,N6-dimethyllysine 2831 175.1441 193344 C05545 N6-methyllysine 2831 161.1285 164795 C02728 N-acetyl-1-methylhistidine* 2100 212.1028 193270 N-acetyl-3-methylhistidine* 2056 212.103 193270 N-acetylalliin 1348 220.0638 N-acetylarginine 2245 217.1295 67427 C02562 N-acetylcarnosine 2141 269.1244 9903482 N-acetylglucosamine/N-acetylgalactosamine 715 222.0972 24139 N-acetylglucosaminylasparagine 1212 336.1402 123826 C04540 N-acetyl-isoputreanine 2305 203.139 N-acetylneuraminate 660 310.1133 439197 C00270 N-acetylputrescine 2230 131.1179 122356 C02714 N-acetyltryptophan 2640 247.1077 700653 C03137 nicotinamide 1942 123.0553 936 C00153 N-methylalanine 1580 104.0706 5288725 C02721 N-methylhydroxyproline 1145 146.0812 N-methylpipecolate 1932 144.1019 11286529 N-methylproline 1335 130.0863 557 ornithine 2800 133.0972 6262 C00077 phenylacetylcarnitine 3092 280.1543 101724840 phenylalanine 2878 166.0863 6140 C00079 phosphate 576 98.9842 1061 C00009 phosphoethanolamine (PE) 700 142.0264 1015 C00346 picolinoylglycine 1945 181.0608 11788622 pipecolate 2200 130.0863 849 C00408 prolylhydroxyproline 2128 229.1183 11673055 proline 1603 116.0706 145742 C00148 propionylcarnitine (C3) 2590 218.1387 107738 C03017 pyridoxal 2343 168.0655 1050 C00250 pyroglutamine* 1900 129.0659 134508 S-1-pyrroline-5-carboxylate 1528 114.055 1196 C04322 sarcosine 1280 90.055 1088 C00213 serine 1239 106.0499 5951 C00065 serotonin 2550 177.1022 5202 C00780 S-methylcysteine sulfoxide 900 152.0376 82142 spermidine 3355 146.1652 1102 C00315 stachydrine 1440 144.1019 115244 C10172 succinylcarnitine (C4) 2291 262.1285 71464481 taurine 660 126.022 1123 C00245 theobromine 1600 181.072 5429 C07480 thioproline 1250 134.027 93176 threonine 1514 120.0655 6288 C00188 tiglyl carnitine (C5) 2962 244.1543 22833596 hydroxyproline 1064 132.0655 5810 C01157 trans-urocanate 2285 139.0502 736715 C00785 trigonelline (N'-methylnicotinate) 1388 138.055 5570 C01004 trimethylamine N-oxide 2100 76.0757 1145 C01104 tryptophan 2986 205.0972 6305 C00078 tryptophan betaine 2673 247.1441 442106 C09213 tyrosine 2430 182.0812 6057 C00082 urea 700 121.072 1176 C00086 valine 2479 118.0863 6287 C00183 xanthurenate 2236 206.0448 5699 C02470 METABOLITES_END #END