#METABOLOMICS WORKBENCH KWhytock_20201026_071615_mwtab.txt DATATRACK_ID:2223 STUDY_ID:ST001515 ANALYSIS_ID:AN002514 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 HILIC CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH Amide (150 x 2.1mm, 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 NEGATIVE 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 1-methylurate 6.2950 6.8085 4.7659 6.6259 7.1221 7.6419 1.0683 0.9955 0.2773 0.4502 0.4172 1.0045 1.4944 1.1263 1.7795 1.3437 1.6835 0.2773 0.3332 0.4040 0.5253 0.2773 0.5648 1.7464 0.9572 0.7345 0.7704 0.8387 1.0121 2.1035 1.0914 1.2628 1.0000 1.0222 1.0840 0.2773 0.2773 0.2773 0.6705 0.5662 0.2773 1.1691 1.6878 0.8951 1.2740 0.9090 1.0108 1.1765 0.2773 0.5685 0.2773 0.9426 0.6217 2.1752 0.5476 0.8241 1.0919 0.7741 0.8293 1.0350 1.0101 0.8965 1.2768 0.7349 0.7477 0.7668 0.7884 0.7118 1.4441 0.2773 0.2773 0.2773 0.7603 0.8704 0.7216 0.7858 0.2773 0.4286 0.6763 0.7440 0.7529 0.9040 1.2523 0.6286 1.2406 2.1721 1.4763 1.5197 1.5959 1.6541 4.8732 2.1445 1.1146 0.6688 0.8668 0.9899 0.8645 1.2338 1.3745 1.4618 1.2654 1.4421 1.3489 0.2773 0.2773 0.2773 0.3936 0.2773 0.6187 3.0809 15.9297 1.8951 1.1725 0.7849 0.9801 1.0363 0.6938 0.6781 0.8239 3.4182 1.0930 0.9837 1.3517 1.5490 0.6992 1.2468 0.6542 1.0745 0.7587 0.7354 1.0386 0.6198 0.7578 0.9472 0.6992 0.2773 0.2773 0.2773 0.2773 0.2773 0.2773 0.2773 0.2773 0.2773 0.2773 0.2773 0.2773 1.4765 1.6610 1.7322 2.9860 1.8413 3.7394 0.6608 0.7525 0.6717 0.6934 0.7329 0.8174 1.7218 3.2163 2.4090 5.0894 1.8729 10.7665 0.7495 0.6264 0.9463 1.5955 1.7168 0.4519 0.5990 1.3601 0.6460 0.6053 1.3743 0.3803 0.2773 0.2773 0.5936 0.7514 3.2323 1.2601 0.9023 1.1659 0.6366 0.7021 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 0.6040 1.2076 0.6537 1.0819 0.7105 0.7238 0.8885 1.6163 1.7309 0.6052 1.5586 1.5117 1.5088 1.4039 1.9445 0.9711 1.1808 1.7219 2.5229 2.1504 0.6614 2.5957 2.3800 0.5541 0.8576 0.7960 0.5139 0.8875 0.9355 1.2250 1.3132 1.5754 0.1977 1.2152 0.9579 1.4759 2.3801 2.5694 0.3716 0.1977 1.4226 0.6554 0.4358 0.4723 0.4374 0.7205 0.5211 0.7193 1.7249 0.3057 0.4902 0.7054 0.4569 1.9260 1.7197 2.0565 2.0529 2.2041 0.9960 1.2904 1.8295 0.8498 1.2742 0.9380 1.0000 1.2050 3.3252 1.1443 1.6673 1.0758 1.8415 0.8037 1.1506 0.9687 1.3517 0.4561 0.2819 0.1977 0.1977 0.5035 2.1145 1.4866 1.8323 2.1225 1.5072 1.5410 0.8400 2.7366 1.1827 1.4881 1.2659 1.0232 1.5630 1.1921 1.2433 1.3360 1.7984 0.3344 0.8377 0.8342 0.6896 0.7659 0.3027 0.7537 0.7423 0.7965 0.6556 0.9482 0.7343 0.3876 0.2959 0.8538 1.2192 0.1977 0.6476 1.9269 0.9134 1.6620 0.9902 0.3523 0.5971 0.5091 0.1977 0.4352 0.1977 0.5726 0.6603 0.8882 0.5722 0.9129 0.9420 0.6966 0.8861 0.6329 0.7581 1.5730 1.9225 1.7843 1.5840 1.0386 0.7968 0.6831 1.1574 0.9427 1.3750 0.7101 0.6184 1.5121 2.5789 1.6246 1.6889 0.8659 1.4889 0.5014 0.9788 1.2156 0.8223 0.6853 0.6445 1.3575 1.2765 1.5208 1.3593 1.0000 1.0400 1.1444 0.2298 1.0461 0.5904 1.3514 0.7167 1.3205 0.8859 0.5875 1.0000 0.5848 0.8624 1.1032 0.9935 1.4046 0.9189 1.6170 1.6730 2.7894 2.8481 1.6266 1.4897 1-stearoyl-2-oleoyl-GPG (18:0/18:1) 1.2911 1.3253 0.9910 1.2973 0.9764 1.1265 0.7038 0.9398 0.5924 0.7367 0.3356 1.3589 0.7240 1.3020 1.5495 0.3356 1.4147 1.5223 0.9221 1.5193 1.6694 1.7020 1.5088 1.0551 1.0405 0.9616 0.8574 1.0028 0.9199 0.7619 0.3991 0.8459 0.4527 0.7102 0.8490 1.1731 0.9801 1.4440 1.1467 0.6643 0.8525 0.6208 1.0531 0.6927 0.6824 1.1141 1.0710 1.4334 1.3960 1.1775 1.2396 1.3563 1.3116 1.1367 1.2351 0.9867 1.3566 0.8316 0.6842 0.7067 0.7032 0.8034 0.5184 0.9400 0.7734 1.1472 0.9250 0.7321 0.8764 0.4990 0.7119 0.3356 0.8437 0.7344 1.0001 1.7017 1.0414 1.7772 2.0290 1.6044 0.8492 0.7294 0.8972 0.8774 1.1261 0.9474 0.8987 1.0428 0.8220 1.0197 1.0323 0.5315 1.1782 1.2086 1.1556 1.0228 0.9499 0.8789 1.1951 1.2009 0.6562 0.6931 0.9618 1.1737 1.0948 1.1985 1.2215 0.9127 1.0298 1.1527 0.9832 1.1932 1.1995 1.1509 1.5464 0.9945 1.0276 0.8072 1.1764 1.0133 1.1896 1.2196 0.6446 1.0297 0.7803 0.9764 0.8676 0.9972 1.0042 1.3375 1.1339 1.2221 0.7216 1.1353 1.1116 0.7232 0.6027 0.7661 0.9903 0.8498 0.7357 0.9999 0.6767 0.9856 0.8506 1.0320 1.1412 1.1714 1.3150 0.9773 0.8725 1.2897 0.7415 0.8943 1.0981 1.0608 0.6624 0.4379 0.3356 1.3145 1.2746 1.2603 1.4749 1.0355 1.3388 0.9163 0.7486 0.3356 1.0804 1.1325 0.9468 0.6970 0.8735 0.9023 1.2513 0.3356 1.0790 1.0404 1.0524 1.0726 0.6889 0.5418 1.0531 0.6064 0.6909 0.6900 0.5748 2,2'-Methylenebis(6-tert-butyl-p-cresol) 0.6251 1.0937 1.5062 1.5931 0.5925 0.8930 0.4515 0.4515 0.7558 1.0456 0.4515 1.3915 0.4515 3.1523 0.7459 0.9234 1.2561 0.4515 0.5848 1.8194 1.4304 0.4515 0.9093 1.0832 0.7043 1.6351 1.6784 1.5366 2.2171 1.2024 1.2586 1.1424 0.8790 1.2165 1.3266 1.4798 0.9242 1.1515 3.0652 4.2716 0.8818 1.1350 5.1040 1.8117 0.9141 1.5028 0.9342 1.9682 1.0831 0.9156 0.5294 0.6326 0.4990 0.7712 0.8216 0.8982 0.7724 0.7383 0.4847 0.6417 0.6857 0.6451 2.1613 0.6660 0.9142 0.4515 0.7172 0.9866 0.5467 1.2026 1.0863 1.1314 1.3208 0.6835 0.8578 0.7540 1.2196 1.7121 0.7432 0.6558 1.4377 1.1880 0.7984 0.7971 0.4515 1.0537 1.0134 1.3498 1.0341 1.1858 1.1004 0.7292 1.1769 0.9446 1.0696 0.6304 0.4614 0.9146 1.0671 0.7185 0.6065 1.1680 0.4515 0.8756 1.5534 0.8857 0.4701 0.6068 0.6083 1.0378 0.8371 1.0334 0.8850 2.5934 0.9198 1.0056 1.2311 0.9898 0.8480 0.6891 0.9093 0.4515 1.8086 0.4515 1.3997 1.0543 0.6701 0.4515 0.4515 0.4515 2.0066 1.0581 1.0845 1.1421 0.9437 1.3310 1.3497 2.1901 0.7159 1.0767 0.7135 1.0520 0.5519 1.3376 1.0016 1.2263 1.4763 0.7897 0.4756 0.8397 1.0412 0.9562 0.9586 0.7586 1.0504 1.2097 1.3815 0.9694 1.2970 1.2312 0.9047 1.2503 1.0000 1.3024 0.6870 0.6545 0.8658 0.4515 0.4515 0.4515 1.0481 0.7950 1.3464 0.8918 1.0342 1.1673 0.9984 0.8704 0.7630 1.5688 0.7467 1.1752 0.7994 0.6089 0.6426 0.9389 1.3243 2,3-dihydroxyisovalerate 1.0961 1.2498 0.3977 0.1927 1.0000 1.6401 0.8173 0.9374 0.4357 0.8156 1.9663 0.5516 0.8700 0.8601 0.4109 3.2518 0.8891 0.5793 0.3790 1.2012 0.9512 0.5098 0.7142 1.5393 0.6895 2.7071 0.5057 0.6137 1.0573 1.7495 0.6440 1.5584 0.5820 2.8707 1.1706 0.5687 1.1937 0.9841 0.8932 1.7419 0.8674 2.1705 1.6697 1.5198 1.4500 4.8571 0.7836 1.2204 0.5750 1.3340 0.6780 1.1534 0.1927 0.9537 0.1927 0.3759 0.7995 0.3419 0.7242 2.2356 1.6220 1.2462 2.3779 0.7754 0.5853 0.8074 0.8863 0.4788 0.9277 0.3104 0.1927 1.2888 0.8249 0.1927 1.3542 1.0980 1.4992 0.7487 1.0087 1.7512 0.7748 0.4488 2.0482 0.3218 1.1376 1.2432 2.0943 2.3935 5.5505 1.4543 2.9608 2.5742 1.0179 0.6549 1.6309 0.9267 0.5028 2.3225 0.9822 1.1413 0.8974 2.1982 1.7035 0.8063 1.8391 1.7339 0.4985 0.9350 1.6154 1.9705 2.6527 1.1371 2.6040 0.8849 1.2040 1.2902 0.3701 1.8582 0.4771 1.2485 3.4846 0.9018 1.0269 1.6295 0.2686 0.6414 0.5223 0.9032 0.5075 0.7448 1.0485 1.8201 0.5370 1.0178 0.9765 1.4126 0.5068 1.1454 0.8303 0.4116 0.8407 0.8058 2.7933 0.9951 0.4051 0.8020 0.8848 1.9835 1.1585 0.9791 1.5737 0.8359 1.2139 1.4444 0.9661 1.4907 3.8424 0.8251 1.2838 1.5571 0.9821 3.6993 1.4054 1.7378 2.1184 0.3836 0.5286 0.5635 1.4981 1.8997 0.5849 0.7187 2.7746 0.9043 1.7615 2.1091 0.3104 0.4725 0.3472 1.3130 1.0675 1.3995 0.3488 0.4897 1.0456 0.3918 1.2797 2,4-dihydroxybutyrate 1.4382 1.2819 1.0704 0.8309 0.8560 1.2687 0.8571 0.9590 0.7571 0.6071 0.8007 1.0000 1.1483 1.3063 1.1889 1.2947 1.2162 0.7177 0.9632 0.7318 1.0302 0.9263 1.0649 0.9218 1.1107 0.9593 0.7605 0.9394 1.0498 1.0202 1.3263 1.4999 1.0070 1.1663 0.8296 0.8476 1.0042 1.0449 1.3188 0.8592 0.8808 1.6165 1.4131 1.3719 1.2651 1.5093 1.1913 1.1075 0.9089 0.6281 0.6474 0.9412 0.7609 0.8972 0.6359 0.7228 0.9123 0.6085 1.1071 1.2140 1.3672 1.2709 1.2801 0.8053 0.9734 0.7454 0.6844 1.0313 0.9815 0.7334 0.5832 0.6767 0.8160 0.6104 0.8454 1.1337 1.3875 0.7430 1.0529 1.2165 0.7318 0.9204 1.1264 0.7471 1.4272 1.0072 1.4985 1.3344 1.4772 1.1677 1.0633 1.5271 0.9890 0.6713 0.9840 0.8815 0.9489 0.8079 1.2656 1.3887 1.0971 1.0485 0.9184 1.0767 1.0769 1.2160 1.1146 1.1734 1.4569 1.4564 1.5566 1.2636 1.1281 0.8960 1.0266 1.0024 1.0624 1.4482 0.9610 1.1572 1.4501 1.0515 0.7846 0.9807 0.4953 1.0110 0.7777 0.8205 0.6481 1.0961 0.7333 1.0658 1.0098 0.9517 1.1534 0.8864 0.7722 0.8083 0.6967 0.7067 0.7904 0.9714 1.0878 1.1467 0.9098 1.1582 0.9390 1.5602 0.9689 1.0816 1.1961 0.9107 1.2412 1.0118 0.9656 1.3372 1.1231 0.9870 0.9345 1.7014 1.2658 1.8053 1.2207 1.7433 1.6739 0.6924 0.6150 0.9928 0.9930 0.8788 0.9430 1.3788 1.6844 0.8978 0.9559 1.7557 0.9592 0.9261 0.6997 0.9767 0.7203 0.9085 0.7758 1.0625 0.8941 0.5051 0.6888 2-aminoadipate 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.6895 0.3256 0.3256 0.3256 0.3256 0.4808 1.5313 2.1187 2.1267 1.6709 1.6359 0.3941 0.4302 0.3421 0.3641 0.3405 1.1366 1.2577 0.5898 0.5668 1.0463 0.7206 0.8385 2.1126 1.8932 2.0856 0.7538 1.2407 0.8957 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 1.3376 0.3256 0.4965 0.3256 1.1666 0.3256 0.6977 0.3256 0.6340 0.6260 0.4742 1.0644 0.6941 1.2382 1.0812 1.3003 0.9415 0.9681 0.7439 0.9141 0.7523 0.9902 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.4567 1.2326 0.7390 0.6429 0.9163 1.0000 1.1298 0.6152 1.0000 0.7946 0.8239 1.1159 1.1943 0.8975 0.9328 1.0543 0.7854 1.4972 1.4366 1.1528 1.2800 1.4336 1.3744 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.4152 0.5912 0.3645 0.3256 0.6277 0.6456 0.3407 0.3256 0.3554 0.6504 1.4063 0.8699 1.4492 0.9649 1.1677 1.3267 1.0098 1.2771 1.3739 0.9393 0.3256 0.8928 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 1.1832 1.2355 0.9089 1.2884 1.6755 1.3233 1.0722 1.5481 1.2056 1.0228 1.3095 1.5434 0.9783 0.9719 1.1410 1.0574 1.0217 1.3920 0.8225 0.8578 1.2867 1.3813 1.3197 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3256 0.3837 0.3256 0.3256 0.3256 0.7277 0.9858 1.2485 1.0458 0.5368 1.1505 2'-deoxyuridine 0.2839 0.2839 1.5662 0.2839 0.7603 0.2839 0.2839 0.6544 0.2839 0.4707 0.2839 0.7571 0.2839 0.2839 0.2839 0.7467 0.2839 0.4688 0.7719 0.2839 1.5161 0.5352 0.2839 1.2853 1.1247 1.0753 1.5094 0.8839 1.3047 0.6323 1.2670 0.2839 0.9571 0.7239 0.2839 0.2839 0.2839 0.2839 0.8787 0.8023 0.2839 1.8892 1.2506 1.5615 1.3856 1.5375 2.1296 0.8954 1.0797 1.2600 1.2153 0.9723 0.8329 0.4366 0.4696 0.6216 0.2839 0.6964 1.0982 0.7091 0.6093 1.2202 1.0538 0.9669 0.7174 0.5554 0.2839 0.6949 0.2839 1.8698 1.2338 0.7957 0.9936 0.5422 1.3082 1.2993 1.2676 3.2303 2.5371 1.6317 0.2839 0.2839 0.2839 0.2839 0.2839 0.8748 0.2839 0.2839 0.4529 1.0325 0.2839 0.2839 0.2839 0.3884 0.4496 0.2839 0.4575 0.9313 0.2839 0.6840 0.9985 0.9411 0.8941 1.5610 1.5695 1.9992 1.4204 1.6274 1.6791 0.2839 0.8524 1.3259 0.8186 0.7690 1.0979 0.2839 0.8479 1.0000 1.8953 1.3933 1.4177 1.4432 1.6510 1.0015 1.2421 1.0972 1.2615 0.9299 0.8538 1.5218 1.7376 1.9921 2.9737 1.9666 1.7047 0.7034 0.2839 0.2839 0.5585 0.2839 0.2839 1.2670 0.2839 0.2839 0.9330 0.6189 1.0558 0.2839 0.2839 0.7928 0.2839 0.2839 0.2839 1.3666 0.7916 1.2183 1.1955 1.3409 1.1165 0.7583 0.9663 1.0000 0.7723 1.1541 1.1341 1.1951 1.3652 1.4914 0.6348 0.6402 0.2839 1.1341 0.7242 0.6828 0.6281 0.2839 0.2839 0.8726 0.5819 0.4213 0.2839 0.7833 0.2839 0.2839 0.2839 0.2839 0.2839 2-hydroxybutyrate/2-hydroxyisobutyrate 0.8471 0.8127 0.8269 1.4760 1.3429 0.7435 1.0536 0.9024 1.0721 0.9632 0.9431 1.3046 1.0120 1.0781 1.1446 0.9860 1.1391 1.2509 0.9896 2.0557 0.8681 1.6639 0.8941 0.9120 0.8138 0.9121 1.0406 1.1426 0.7735 0.8368 1.3211 0.8804 1.1135 1.0665 1.0419 1.8374 1.1989 1.2279 1.4168 0.9852 1.0633 0.7276 0.7288 0.7756 0.9125 0.9401 1.3887 0.7133 0.8272 1.6871 1.6024 0.7341 1.3003 0.9320 2.0190 2.0652 1.0722 1.5749 1.1708 1.0253 0.8689 1.2548 0.7260 1.0034 0.8880 0.9568 0.8804 1.1608 0.8708 1.0637 1.7921 1.3070 0.6488 1.2957 0.5358 0.5194 0.4902 0.9735 0.6767 0.5351 1.5086 1.0751 0.8717 1.1986 0.5927 0.5853 0.8688 0.8796 0.6389 1.4699 0.7405 0.9443 1.0407 1.2036 1.0286 1.0026 0.9777 1.0772 1.0980 1.1309 1.5171 1.0017 1.1681 1.1535 1.1112 0.6864 1.2350 0.7345 0.6135 0.6578 0.7475 1.0043 0.9433 0.9515 1.1068 0.7043 1.2595 1.4205 1.4924 0.5252 0.6300 0.7254 0.6875 0.5534 1.3328 0.7832 1.0359 0.9071 1.4119 1.2527 1.2976 1.3743 1.4783 1.1588 1.1719 1.0361 1.2030 0.7888 1.4624 1.1768 0.9590 1.1470 1.2152 0.7114 1.1700 1.0000 1.2605 0.8618 1.1273 1.2209 1.2100 1.0692 0.9706 0.8377 0.8722 0.8081 0.6779 1.2433 0.8837 0.8847 1.0656 0.8015 0.9960 0.8113 0.9974 1.5051 1.5683 0.9983 0.5938 0.6620 0.9057 0.9062 0.7559 1.2425 0.8177 0.7443 0.8715 0.9350 0.8305 0.6005 1.2285 0.5696 2.0379 1.0793 0.7127 1.7291 1.2112 2-hydroxyglutarate 0.8162 0.6809 0.0609 0.1153 0.2057 0.5117 1.6455 1.1971 0.5736 1.0400 0.6574 2.1496 5.5519 6.2505 7.5570 4.7417 6.1003 1.2993 1.4014 1.4310 0.5984 1.9245 1.4172 0.4541 0.6893 0.6184 0.6882 0.7878 0.6035 0.8055 0.8415 0.9805 0.6555 0.7947 0.8332 0.7516 1.0498 0.1470 0.0331 0.0331 1.5459 1.4991 0.6198 1.0184 0.9313 0.4165 0.0548 4.4413 3.3418 3.0142 2.9132 5.3621 5.8654 0.8880 1.1898 0.9792 0.9483 1.0495 0.8476 0.9975 1.0478 0.9462 1.0715 0.8966 1.0607 1.1579 1.2276 0.9252 1.0102 0.6588 0.4289 1.1704 1.2815 0.0643 0.0733 0.0725 0.1802 0.0331 0.6992 0.4505 3.4461 7.6550 8.0015 7.8606 4.0567 5.4729 0.9894 1.0155 1.2721 1.1458 1.0455 0.9898 1.6398 1.3410 1.3688 1.2090 1.6185 0.7985 0.8290 0.8320 0.7241 0.9467 0.7719 0.5782 0.6770 0.0331 0.0585 0.0331 0.0355 1.5785 0.2108 0.7672 0.0522 0.0705 0.0506 6.7742 9.0259 5.5544 9.0879 1.0983 1.2967 1.0227 0.8486 1.0934 0.8072 0.9026 0.8604 0.9550 1.0147 1.5117 1.5387 1.1874 1.3127 1.1761 1.5488 1.6673 1.6433 0.1227 0.1610 1.2929 0.0782 1.2535 0.9816 0.1511 0.7039 0.8673 0.0521 5.6503 6.5557 3.7097 4.4843 5.3077 3.2062 0.4616 0.6031 0.5327 0.7148 0.5050 0.5509 1.1382 1.0025 1.3453 1.0297 1.0916 1.0803 1.1985 1.0600 0.9527 0.7454 1.1118 0.5593 0.0331 0.0696 0.0532 0.0490 0.0687 0.8388 2.4284 0.1166 0.3918 0.9689 2.9472 7.1781 6.7311 5.3273 5.8421 8.4410 2-hydroxyheptanoate* 1.3125 1.2481 0.3512 1.5405 0.3512 1.3055 0.7484 0.8741 0.6620 0.6206 0.3512 0.9774 0.9514 2.0283 1.1595 1.0427 1.3491 0.8413 0.7020 0.9475 1.6640 0.9155 0.7027 1.1796 0.6187 0.7527 0.9025 0.8720 0.7651 1.7405 1.2425 0.7247 0.7087 1.1994 0.5877 0.8423 1.4349 0.8283 1.1870 1.7036 1.0328 1.4053 1.5084 0.8797 0.9806 1.6113 1.0824 0.3512 0.7316 1.0564 1.0058 0.8694 0.5378 0.9813 0.7981 0.3512 0.8438 0.5224 1.3273 1.0000 1.0072 0.3512 0.9533 0.8447 0.8026 1.7462 1.1593 3.4174 0.8813 1.0206 0.3512 0.3512 0.3512 0.9224 1.8513 1.5204 1.0116 0.8047 0.8185 0.8761 0.9272 0.6209 1.2087 0.7433 1.0792 0.9996 1.1213 0.9543 1.0000 1.2355 1.2819 0.6789 1.5166 0.8648 0.9621 1.0755 0.8333 1.0555 1.1020 1.2395 0.9982 1.1567 1.2477 0.8838 1.4110 1.2105 1.4479 1.2324 1.6310 0.5020 1.0004 0.6866 0.8211 1.2636 0.3512 1.1515 0.9832 0.8330 0.9117 2.0087 1.6736 1.3948 4.0527 1.2843 0.8883 1.5201 0.8036 0.8432 1.0981 0.9399 1.2732 1.2627 1.2563 1.4160 1.0383 1.0243 0.8087 1.4750 0.8088 0.7519 1.1444 2.1954 0.9540 1.2187 0.7911 1.0955 1.1793 2.0233 1.5053 1.2891 2.4282 1.6933 3.1815 0.8542 0.6970 0.3512 1.2051 0.6075 0.5675 1.9727 1.9764 1.6082 1.5637 1.6379 1.9289 0.5746 0.5580 0.4915 0.8419 1.1009 0.9141 0.7140 0.9527 0.9683 0.8652 0.9835 0.7485 0.9597 0.3512 0.9250 0.3512 0.6178 0.7714 0.3512 0.5606 0.9041 1.3709 2-hydroxyhippurate (salicylurate) 0.9809 0.6610 0.2060 0.1377 0.4466 1.1608 0.4645 0.7097 0.1377 1.2871 1.8903 0.5084 1.0618 0.4298 0.3485 1.0839 1.0398 0.3899 0.3275 0.9568 0.6687 0.7172 0.2066 0.7757 0.4447 1.0000 0.1677 1.2903 0.9154 1.4361 0.4255 1.1791 0.1377 1.2154 1.2248 0.3168 1.5942 0.8625 0.4435 1.6593 0.8193 0.7717 1.1000 1.2159 0.3055 1.7796 0.1377 1.0152 0.8607 1.7991 1.5929 0.9927 0.2286 0.1377 0.1377 0.1377 0.1377 0.1377 0.4490 1.4203 1.5649 0.3646 1.0079 0.2432 0.1377 0.1377 0.1377 0.1377 0.1377 0.1882 0.9148 1.2444 0.7989 2.5455 1.1862 5.9956 2.8338 1.2128 3.4131 2.5552 0.3338 0.1377 1.2559 0.1377 0.4983 0.8487 0.3049 1.7334 1.5844 0.1377 0.7973 1.0737 0.8300 0.7541 1.2720 0.4662 0.4929 1.5746 0.9207 1.0000 3.6085 2.1479 14.6751 3.3815 5.4033 5.1153 4.3734 1.4681 4.1717 0.6476 0.2874 0.1377 1.1765 0.1377 0.2249 1.8221 0.4875 1.3537 1.0525 1.3948 2.5989 0.7137 0.4789 1.9113 0.1377 1.3849 0.6239 2.3065 1.4074 0.8685 0.8353 1.1895 0.2565 0.7742 0.5401 0.2742 0.1377 0.1377 0.4223 0.1377 0.2430 0.9244 1.6695 1.7743 0.8758 3.8828 1.0130 2.6798 2.6887 0.5875 2.0689 1.9359 2.3774 0.5372 0.7219 0.7394 1.9209 0.1377 0.3109 0.8429 1.6056 1.9065 4.6155 1.5828 2.1604 2.8520 2.3396 1.5475 5.7258 2.0393 0.3829 0.1377 1.4921 0.7193 1.1414 0.7725 0.8993 0.1377 0.7050 0.7082 1.0000 0.1377 0.1377 0.1377 0.8207 0.1922 0.4279 2-keto-3-deoxy-gluconate 1.3674 1.3911 1.0945 1.0610 1.1396 1.3197 0.7340 0.5232 0.3537 0.5996 0.4528 1.1858 0.4485 0.7716 0.5632 1.2101 1.0000 0.5114 0.5610 0.7621 0.5229 0.5413 1.0480 0.8913 0.6431 0.7633 0.7113 0.9293 1.9405 1.4454 1.3037 1.0717 0.8409 1.0660 1.0002 0.9400 1.0834 0.9461 0.6986 0.6695 0.6858 1.6499 1.4477 1.1056 1.6409 1.6796 1.4478 1.1018 0.7607 0.7285 0.7091 0.8953 0.7763 0.6792 0.6374 0.7072 0.5420 0.6316 1.2872 1.2421 1.4173 1.3038 1.2969 0.8913 1.0707 0.7112 0.6732 0.8170 0.6061 0.9259 0.7303 0.6406 0.6668 0.7822 0.7059 1.1882 1.0970 0.8810 0.8311 0.3107 0.5326 1.1558 0.6106 0.8333 1.4148 1.1729 1.8138 1.5607 1.9299 5.9206 1.7596 2.0256 1.2979 0.9392 1.0312 1.1093 0.9688 1.0108 0.9441 0.8918 1.0944 1.1721 1.0872 1.0044 1.1571 1.2664 1.0835 0.9980 1.1705 1.2397 0.6274 1.1379 1.2599 1.3536 1.0845 3.5756 0.5802 1.0068 0.9477 0.6318 0.6648 1.2301 0.9998 0.7244 0.6351 0.8596 0.6855 0.8140 0.7663 0.9097 1.0152 1.0706 1.2326 1.3259 1.0434 0.6742 0.7999 0.8999 0.5733 0.6014 0.8765 1.1673 1.2353 1.1566 1.1988 1.2009 0.5293 1.1180 0.8965 1.1170 1.2861 1.3501 1.2920 0.9480 1.5752 1.5163 1.3405 1.7005 1.4878 1.2121 1.1194 0.9178 1.1014 1.0652 1.8899 0.6192 0.7426 0.5529 0.8556 0.9693 0.9180 1.1498 1.7375 1.2278 1.1894 1.9352 1.0513 0.8853 0.9295 1.2258 0.8091 0.8938 0.3996 3.0390 0.9409 0.4543 0.5568 2-ketocaprylate 1.1341 1.3780 0.7508 0.9402 1.0810 2.1256 0.8007 0.8220 0.7259 1.0000 1.1784 0.8232 0.8853 1.3530 0.8623 1.5044 0.9295 0.7414 0.6188 0.9125 1.6956 0.6694 1.0717 1.2931 0.8974 1.5090 0.7876 0.7921 1.0067 1.3930 0.7572 0.9930 0.7410 1.3746 0.5863 0.8261 1.4137 0.9554 0.7386 1.2660 1.0415 1.4616 1.5477 1.4662 1.5315 2.3960 1.2550 0.8198 0.3028 1.1682 0.6084 0.5160 0.7105 0.4810 0.6551 0.7821 0.6601 0.4980 0.4432 1.0129 0.5351 0.6795 0.8594 0.5251 0.6922 0.9761 0.4959 0.7413 1.0397 0.6786 0.6392 1.3537 0.6368 1.0202 1.1370 1.0114 0.5578 0.8720 1.1185 1.5099 0.7540 0.3084 1.1483 0.8527 0.9546 0.7979 1.7929 1.5573 2.7729 1.3427 2.1341 1.7022 1.6288 0.9933 1.6216 1.2946 1.0444 1.0212 0.8533 0.9913 0.8590 1.5957 0.8197 1.0059 2.3879 2.0483 1.5021 1.9712 2.4819 0.8827 0.8071 0.7137 1.1269 0.8436 0.5644 1.0087 0.8371 0.9876 0.7058 1.4603 1.6454 1.5537 1.1024 1.4672 0.3923 0.4496 0.2512 0.2975 0.6803 0.7496 0.6435 1.7025 0.7971 1.0070 0.9858 0.5264 0.3275 0.4940 0.2954 0.7068 0.5428 1.3676 1.8725 1.3655 0.9579 1.2592 1.0866 1.5192 0.6772 0.8286 0.9578 1.1223 1.0582 1.1320 1.5105 1.3135 1.7909 1.0098 1.2110 1.8369 2.2460 2.9573 1.6477 1.8149 2.6017 0.9078 0.7536 0.8942 1.3984 1.3796 1.0193 1.0317 1.4761 1.1077 1.3793 1.2799 0.9369 1.0127 0.7234 1.2181 1.0750 1.2494 0.9073 1.1535 0.9942 0.7660 0.8492 2R,3R-dihydroxybutyrate 2.5090 1.0463 2.0261 0.2796 0.4605 0.7051 2.5675 1.3794 0.9295 0.3155 0.4915 1.0103 1.9080 1.0486 1.1325 1.6764 1.2490 0.2618 0.6049 0.2590 0.9122 0.1974 1.4242 0.8790 0.4406 0.3227 0.8915 0.2971 1.2385 0.9147 1.1982 1.7706 0.3258 0.2567 0.2035 1.6953 2.7530 2.3161 2.5447 1.3564 1.5171 1.7105 1.7382 1.8974 1.3799 1.0000 0.6453 2.2385 1.0325 0.3551 0.1805 1.3165 0.3647 1.8256 0.2061 0.3908 1.0286 1.3971 1.0088 0.4845 1.3100 0.5209 1.2064 0.5288 1.8848 1.3405 1.2651 0.8419 1.2118 0.9012 0.1430 0.5006 1.0692 0.3843 0.8423 0.7753 1.5507 0.8797 0.7064 0.5774 0.1961 1.6632 0.1960 0.3426 1.5406 1.6312 1.4419 1.0011 0.9465 0.7874 0.9478 1.8042 0.9912 0.3979 0.4974 1.0696 0.5762 0.9071 1.0954 1.2231 0.7893 1.9171 0.9989 0.6445 0.4295 1.2457 0.6905 1.8107 1.2604 2.0813 1.2932 1.0338 0.3591 0.5515 0.3834 1.2364 0.3078 0.3459 0.2042 0.6543 1.6137 0.6382 1.0352 1.3241 0.2266 1.2905 1.1386 1.4231 0.3050 0.5534 1.4742 0.6054 0.7019 1.6609 0.6307 0.2656 0.7018 1.4931 0.5150 0.5838 1.6623 0.3028 0.7642 1.1691 0.9295 1.9847 0.3511 1.0890 0.4320 2.5147 1.4938 0.8801 1.4951 0.7216 1.7696 1.7203 0.8274 1.1135 1.3752 2.1597 1.6429 2.1792 2.1967 2.3909 1.7574 0.3017 0.2938 1.5604 1.4229 1.3130 0.2670 0.8607 1.5961 0.2828 0.2450 2.1237 0.4086 2.4139 0.2187 2.3059 0.2129 1.6522 0.3549 1.6358 1.7629 0.2887 0.4289 2S,3R-dihydroxybutyrate 1.4007 1.1691 1.2757 1.3800 0.9523 1.0175 1.0588 0.6854 0.6844 0.5958 0.8500 2.2159 1.8916 1.8464 1.8427 2.3775 1.9216 0.9770 0.6207 0.9101 0.6079 0.9875 1.0489 0.5635 0.8508 0.3748 0.5101 0.9474 0.8343 0.8801 1.4968 1.2941 1.3604 0.9190 1.0599 2.1606 1.4137 1.7637 1.9123 0.8181 1.1097 1.0577 0.9500 1.0623 1.1943 1.0045 1.0735 0.7573 0.6247 0.6006 0.7551 0.5786 0.9870 1.2232 1.6752 1.5052 1.3596 1.2818 1.4934 1.8024 1.4246 1.5301 1.2273 1.2723 1.0261 1.0183 0.9376 0.9895 1.3979 0.5790 0.7485 0.8948 0.5902 1.0582 0.4938 0.6237 0.6735 0.8940 0.6647 0.6472 0.9749 0.7625 0.5551 1.3362 0.7539 0.6423 1.3227 0.9213 1.2089 1.3841 0.7652 1.2466 0.8600 1.0810 0.8208 1.1673 1.2292 0.8227 0.9301 1.0553 1.2112 1.3236 0.9511 2.2264 1.9300 1.4007 2.4843 1.7378 1.2468 1.3525 0.8942 1.1435 1.0000 1.4811 1.2577 0.8181 0.9312 0.8851 0.8459 0.5750 0.7352 0.7046 0.6863 0.6183 1.1348 1.0382 1.1426 1.0177 1.1340 1.0137 1.1395 0.9329 0.8263 1.1265 0.9592 0.6725 1.0636 0.9177 1.2248 0.9903 1.1767 1.2054 1.7928 1.0150 1.5701 1.6390 1.4070 1.7019 1.4327 2.3095 1.3282 1.7341 1.3563 0.5819 0.8346 1.0441 0.9313 1.4289 1.0105 0.7958 0.7822 0.9637 0.8972 0.9823 0.9197 1.4971 1.4398 0.8291 0.8223 0.5363 0.5281 0.6687 0.7447 0.6908 0.4875 0.9740 0.8287 0.8727 0.7611 0.9371 0.6380 0.6306 1.5697 0.8266 0.8115 1.1118 0.8433 3,4-dihydroxybutyrate 0.9505 0.8785 0.9748 1.3017 1.3676 0.9386 1.0716 1.0112 1.0237 1.2018 1.0399 0.8237 0.9013 0.8185 0.8281 0.9202 0.8138 0.5768 0.7156 0.8239 1.3865 0.7886 1.5561 0.9759 1.1200 0.9356 0.8291 1.0050 1.0801 1.0247 0.8835 1.0283 0.7158 0.9674 0.7170 0.9989 0.9368 0.9198 0.9682 0.7449 0.8790 1.2110 1.0851 1.2008 1.2516 1.1023 1.0749 0.8955 0.7793 1.0000 1.1044 0.8625 1.0715 1.1458 0.9978 0.8521 1.0851 0.8101 0.7894 0.7979 0.9630 0.8818 0.9914 0.7869 0.8943 0.9747 0.9319 1.0022 1.0118 0.9914 1.0785 0.9541 1.0443 1.1736 1.1175 0.8558 0.8200 0.7051 0.7598 0.8143 1.3061 0.8498 1.0045 1.1216 1.0052 0.9216 2.2666 2.0086 1.9200 1.8561 1.0910 1.0968 1.2780 0.9950 1.0340 1.1595 0.9645 1.2421 1.3755 1.3615 1.2501 1.3033 1.3328 0.8355 0.6873 0.6889 0.8163 0.5759 0.7942 0.9880 1.0101 1.0717 1.0581 1.3067 1.1867 0.8032 0.9742 0.8968 0.9645 1.8218 1.6800 1.6151 0.9204 1.1182 0.8462 1.2759 0.9223 1.1335 0.9622 0.6343 0.7467 0.6996 0.6846 0.7798 0.6727 0.8346 0.7788 0.9210 1.1432 1.0346 0.9841 0.9393 0.9144 0.7659 0.9578 0.9213 0.9015 1.1181 1.1210 1.0550 1.0867 1.1508 1.0705 1.5689 1.6220 1.0699 1.5974 0.9650 0.9958 1.4784 1.4267 1.3833 1.3124 1.3690 1.3665 0.6865 0.5376 0.6731 0.8606 0.8655 1.0538 1.3558 0.9534 1.1649 0.9907 1.1820 1.4591 1.1545 1.3712 1.3798 1.2354 1.0257 1.2433 1.0291 1.1245 1.0704 1.0590 3,5-dichloro-2,6-dihydroxybenzoic acid 1.1850 1.0866 1.1463 1.0587 1.1195 1.1584 1.0458 0.9683 1.0531 0.8744 0.9270 1.3756 1.3180 1.2893 1.3378 1.2961 1.4478 0.9100 0.8705 0.8508 0.8452 0.9789 0.8677 1.7494 1.5736 1.6047 1.5540 1.4712 1.5841 1.6842 1.6257 1.8824 1.6040 1.5801 1.6445 1.0250 0.9927 0.9811 0.9681 0.8439 0.8362 0.3852 0.3743 0.3804 0.3646 0.4322 0.4232 0.9057 1.0018 0.9299 0.9422 0.8628 0.9787 1.5522 1.4220 1.5005 1.4987 1.7011 1.0436 1.0136 1.0465 1.1328 0.9991 0.9561 0.1894 0.2075 0.1910 0.1881 0.1541 0.9795 1.0878 0.9752 0.9938 1.1600 1.0000 1.9166 1.8140 1.8019 1.5775 1.6750 0.2186 0.2108 0.2035 0.1955 0.2094 0.1894 0.7651 0.7297 0.7624 0.7327 0.7644 0.8378 0.7938 0.8065 0.8664 0.7501 0.7960 1.0243 0.9132 1.0211 1.0420 1.0815 1.0461 1.2599 1.2028 1.1045 1.2042 1.1564 1.0992 1.1139 1.0699 1.1232 1.0232 1.0467 1.1014 1.0030 1.0945 1.1000 1.0391 0.2128 0.2463 0.2314 0.2289 0.2170 1.0009 0.9761 0.9061 0.9754 0.8932 1.5124 1.6285 1.5031 1.6547 1.6880 1.6492 1.1668 1.2279 1.1959 1.3690 1.3116 1.2213 0.8847 0.9250 0.9004 0.8034 0.8872 0.9273 1.6252 1.4919 1.6858 1.5577 1.6033 1.5215 1.2190 1.2984 1.2992 1.1859 1.2857 1.4147 1.0024 1.0383 1.0172 0.9823 0.9183 0.9385 0.6475 0.6581 0.7131 0.7352 0.6960 0.8326 0.9111 0.9133 0.9104 0.8897 0.9445 0.9928 0.9818 0.9332 0.8970 0.9063 0.8359 0.9059 0.8595 0.9436 0.8382 0.8584 3-hydroxy-3-methylglutarate 1.1647 1.1668 0.9798 1.1690 1.6301 1.2090 0.9363 0.9638 1.0030 0.7881 0.9161 0.9411 1.0396 1.0104 1.0105 0.8820 0.8841 0.8451 1.0122 1.0801 0.5453 1.1447 0.9812 0.6912 0.8296 0.6604 0.8668 0.9122 0.7653 1.0774 1.0891 1.7489 0.7928 0.9597 0.8601 1.2464 1.0083 1.1646 0.7563 0.4644 0.9196 0.8262 0.7571 0.8054 0.7769 0.8230 0.9465 0.8910 0.9572 1.1156 1.1825 0.9919 0.9763 0.9432 0.8939 1.0925 0.9234 0.8753 0.8935 0.9938 1.0062 0.7504 0.8436 0.8400 0.8590 0.9251 1.0088 1.1537 0.9705 1.0164 1.0604 1.1269 0.9953 0.8602 0.8800 0.9285 0.8430 0.6306 0.8439 0.8759 1.2300 1.2387 1.2141 1.0158 1.1462 1.1392 1.1860 1.0056 0.9731 1.2590 1.5686 1.1935 1.2871 1.1322 0.9492 1.2727 1.4190 0.9067 1.8059 1.1209 1.2021 1.1687 1.1223 1.0151 1.0620 0.9109 1.0860 0.9719 0.9121 0.9781 1.1081 1.1107 1.1087 0.8072 1.0258 1.3505 1.0923 1.2791 1.1180 1.1847 1.1140 0.9827 0.8205 1.1746 0.6546 0.9731 1.6916 1.0339 1.1162 0.9194 0.9844 0.8993 1.0310 1.0039 0.9560 0.9433 0.8940 0.8997 1.0509 0.8690 1.0000 0.6302 0.8637 0.7069 0.8177 0.7876 0.7254 1.2462 1.2615 1.0925 1.3872 1.1191 1.2514 0.8045 0.8774 0.8700 0.9717 0.9961 0.9872 1.2794 1.4221 1.3421 1.2434 1.2440 1.0738 1.1047 0.8605 1.1940 1.0464 1.0929 0.9209 0.9634 1.1000 1.0544 0.9068 1.2750 0.8120 0.8981 0.7423 0.8282 1.0118 1.2388 1.4606 1.2563 1.3854 1.1740 1.3398 3-hydroxybutyrate (BHBA) 0.6824 0.4384 0.0841 3.5979 5.0448 0.8839 0.5478 0.4694 0.1473 1.4118 1.4192 1.2242 0.4575 0.5713 0.5081 0.5820 0.5208 4.8221 0.1348 12.5361 0.4438 7.0281 0.6216 1.5360 0.8126 2.6008 0.3541 4.9074 1.4148 0.3749 0.2948 0.5252 2.7208 2.4249 1.1691 5.6308 0.5425 1.0359 0.8815 0.4943 0.3995 0.5145 0.4757 0.4340 0.6383 0.6336 4.6893 0.4857 0.0955 16.7980 13.2540 0.7823 8.5654 0.6182 10.4728 16.2951 0.6618 0.2022 0.2829 1.6820 0.6366 1.8795 0.5149 1.0104 0.6429 0.6202 1.2123 3.4915 1.0339 2.9735 14.2222 8.0468 4.9116 11.2149 1.3284 0.3244 0.2609 2.3977 1.2759 0.3103 5.1516 0.1503 1.4404 4.6124 0.7563 0.9141 0.5430 0.5148 0.3154 2.5061 0.5518 0.8523 0.7916 2.4026 2.2362 0.9594 0.9896 0.8188 0.8305 0.5711 3.4151 0.6620 1.4521 2.6271 2.5905 0.4716 4.6469 0.1529 0.3216 0.5719 0.2802 0.1765 2.6328 2.2755 1.9677 0.7736 5.6767 6.4548 6.5992 3.4876 1.2732 3.4947 3.1817 2.2647 9.6363 1.3618 0.3147 1.0981 9.8402 2.1687 1.5434 5.2469 0.2746 1.3403 2.6601 1.3341 0.1177 0.3707 2.3914 1.7123 0.3699 2.3004 5.0967 0.4059 0.2931 2.1128 2.3026 1.4446 2.0324 0.3579 1.8961 2.2272 0.9516 0.9661 0.7857 0.6176 0.5132 4.3446 1.1665 0.7213 3.7158 0.5218 0.9164 0.5094 0.7943 4.8801 7.8329 0.2357 0.3032 0.3331 1.9294 0.1937 0.3347 4.2741 1.4521 0.3456 4.5926 0.1208 1.5011 0.6554 7.0330 0.5202 10.4148 0.2552 1.0000 5.8300 3.2116 3-hydroxyhippurate 6.3730 8.4987 4.2142 1.6728 4.3951 4.0432 0.1023 2.9241 0.0490 1.3830 2.1729 1.0801 1.0041 0.7037 0.9596 0.8033 1.5161 0.4375 0.9833 0.4731 1.2369 0.7107 1.3282 1.2134 1.9765 1.6701 0.5187 2.1934 1.1441 5.3273 0.3285 1.3078 0.3198 2.7032 1.9705 1.0929 4.0688 2.2676 2.3801 2.7565 2.1186 2.2412 0.4814 0.7989 0.2191 1.4027 0.1462 0.9892 0.1936 1.4250 0.8253 0.7452 0.6554 0.1180 0.0661 0.0490 0.1088 0.0490 0.3910 2.1849 1.0424 0.3547 2.1757 1.0162 4.5797 3.3579 3.5518 2.8764 3.7613 0.2438 0.1844 0.6856 0.4530 0.2459 0.4027 1.7086 0.3187 0.2830 1.4310 0.5655 1.4137 1.1163 3.0987 0.9959 2.6191 5.2964 4.1578 3.7135 2.5163 0.1727 0.8139 0.3519 1.7797 0.6637 1.6610 0.6802 0.4003 8.1575 5.3237 4.2362 3.4754 6.7195 3.8793 0.6094 0.9704 1.1431 3.3469 0.2305 1.7303 0.3347 0.4778 0.1812 2.9331 1.1064 0.5242 0.8805 0.7826 0.9266 0.6003 0.6018 0.8222 0.3923 0.2987 1.0283 0.3502 0.6559 0.1018 0.5861 0.4390 0.1409 0.0490 0.2904 0.0490 0.0888 0.0490 1.0852 0.1169 1.6503 0.5177 0.7695 0.4423 1.4473 0.4617 1.2727 0.2313 1.0929 0.3611 1.6881 2.5613 2.0860 0.9956 1.7740 3.4090 1.0167 0.8784 0.3300 1.4579 0.0541 0.2104 1.3786 0.9189 0.9838 1.6421 0.3951 1.7211 0.2549 1.3432 0.1771 1.1580 2.9952 0.7790 0.7589 3.3841 0.2793 1.9818 1.4007 0.3930 0.1420 0.1489 0.9187 0.4404 10.6233 0.3476 2.7273 3.6195 2.8093 3.2679 3-hydroxyisobutyrate 1.3336 0.7399 0.6778 2.1809 0.8362 0.9543 1.3572 1.3257 0.4807 0.9999 1.0738 0.9622 1.4319 1.1843 1.0745 1.4199 1.2809 2.6076 0.6965 4.9617 1.2981 0.8875 1.5542 0.8418 0.8236 1.3348 0.5596 1.8283 0.7015 1.1525 0.8202 1.4220 1.4914 0.6895 1.0580 0.5022 0.8630 1.1545 1.2082 1.0001 1.0261 1.2389 1.1658 1.2452 0.9564 1.0435 0.9101 0.6235 0.3486 0.0904 5.0819 1.8571 2.7118 1.0891 0.0904 0.0904 0.8884 0.6342 0.7105 1.4146 1.2695 1.5956 1.0747 1.8770 0.6108 0.7028 0.6985 1.0074 0.7968 0.0904 0.0904 0.4612 1.7660 0.0904 0.4991 0.7908 0.7785 0.8099 0.7086 0.7940 2.4254 0.6011 1.1781 2.0802 0.7078 0.5786 1.4009 1.1656 0.8182 0.8889 1.1056 1.3536 0.9852 1.4443 1.1247 1.0349 1.0710 0.9566 0.9368 0.8656 1.8412 1.5909 0.8137 1.7273 1.5115 1.2162 1.1592 0.9570 1.1449 0.8515 0.5934 0.5783 0.5291 1.0091 0.7919 0.7075 2.3464 0.0904 0.7446 0.7746 0.7310 1.3771 0.0904 0.8011 2.6471 0.8991 0.6303 0.8225 2.9033 1.0510 0.8466 2.4191 0.7124 0.8951 2.3631 1.0668 0.5633 0.7774 1.2507 1.2714 0.7529 2.1287 0.6187 1.2494 0.6482 0.9117 1.3656 0.8586 1.2397 0.5423 1.9007 1.6958 0.7561 0.9926 1.5522 1.1568 1.0107 1.7726 1.2231 0.7648 0.5414 1.0148 0.6969 0.8593 0.7116 2.3865 2.2992 0.4553 0.6806 0.6875 1.6937 0.7326 1.2435 0.7928 0.6948 1.2468 2.1552 0.4809 0.6404 1.2184 3.5399 0.9881 4.6226 0.6807 0.6157 2.5250 0.4136 3-hydroxysebacate 0.7013 1.0576 0.2716 1.1117 1.1422 0.6014 0.8795 0.5056 0.2716 0.3143 0.7050 1.1696 0.5534 0.7773 0.6163 0.4710 0.2716 0.5247 0.2716 3.1168 0.2716 1.0514 0.2716 1.4630 0.9348 1.1057 0.2716 2.9211 0.9545 0.4152 0.2716 0.3258 0.3507 0.5919 0.2716 3.4663 0.5101 0.8220 0.7571 0.2716 0.2716 0.8441 0.7142 0.9190 1.2253 1.7473 2.3942 0.5283 0.2716 4.2916 2.2652 1.0323 0.7800 0.2716 1.0025 2.5422 0.2716 0.2716 0.2716 1.1885 0.2716 1.6373 0.2716 0.8172 0.2716 0.2716 0.5093 2.4350 0.7650 0.8138 1.3590 1.1005 0.8060 1.1982 0.6628 0.8107 0.2716 1.0827 0.7000 0.3588 1.7674 0.2716 0.8514 0.2716 1.1589 1.5420 0.6105 0.5228 0.2716 1.1223 0.2716 0.6400 0.2716 0.9360 1.0000 0.5643 0.6410 0.7920 0.8388 0.2716 2.4552 0.7481 1.1873 1.7712 2.0880 0.5721 3.0912 0.2716 0.2716 0.4993 0.2716 0.2716 0.7356 0.4460 0.5801 1.2713 2.2385 2.9851 2.9062 1.7663 1.0000 1.2203 1.6938 1.2753 1.1737 0.2716 0.2716 0.2716 1.8478 0.5845 1.4976 1.4635 0.2716 0.8629 1.2263 0.2716 0.2716 0.2716 0.9782 0.2716 0.2716 1.0218 1.1764 0.2716 0.2716 1.1885 0.7599 1.1194 1.6965 0.5578 3.3301 2.1233 2.9221 0.2716 0.2716 0.2716 0.2716 0.7543 0.2716 0.6091 1.5198 0.2716 0.2716 0.2716 0.5431 1.1941 1.5887 0.2716 0.2716 0.2716 0.7597 0.2716 0.2716 1.9063 0.8119 0.3942 0.4219 0.2716 0.2716 0.4876 1.7318 0.7000 6.1952 0.2716 1.3392 2.3639 1.7241 3-methylglutaconate 0.5770 0.5368 0.5843 0.7014 0.6940 0.7866 0.8564 0.7185 0.6913 0.7157 0.9857 1.0549 1.1451 1.1963 1.0682 0.9860 1.2051 0.9558 0.8587 1.1728 0.9253 1.0991 1.0509 1.0861 1.2268 1.3710 1.1312 1.3292 1.1842 0.9606 0.9621 0.9369 1.0881 1.0349 0.9473 0.7893 0.7047 0.8515 0.7759 0.6162 0.7271 1.6914 1.2926 1.4586 1.5406 1.2795 1.7606 1.2678 1.0950 1.2425 1.1662 1.1598 1.1111 0.9961 1.0084 1.0039 0.8400 0.7200 0.8696 0.9659 1.0002 1.0202 0.8821 1.0435 0.8274 0.5823 0.5761 0.8209 0.6881 0.8676 0.8579 0.8852 0.8490 0.9483 0.9022 1.8750 2.0444 1.5174 1.8842 1.8456 1.1371 1.0147 1.3928 1.1425 0.9271 1.0000 1.0921 1.0543 1.2017 1.1686 1.0841 1.2609 1.1853 1.2105 1.3427 1.4638 1.2395 1.6784 1.9084 1.9067 2.0418 1.7246 1.9352 1.0791 1.1014 1.0248 1.1822 0.9614 1.0270 1.1175 1.2399 1.0243 1.3735 1.0905 1.2104 0.9506 0.9804 1.1314 0.9515 1.0328 1.2416 1.0251 0.9183 1.1788 0.5292 0.5821 0.5378 0.5608 0.6450 0.9839 0.7602 0.8788 0.8456 0.8514 0.9263 0.6647 0.6037 0.6588 0.8958 0.7928 0.8230 0.7107 0.7989 0.5665 0.6095 0.7715 0.6743 0.9774 0.9834 0.7932 0.9953 1.0443 1.0386 0.8377 0.9479 0.8829 0.9189 0.8891 0.9153 0.9998 0.8372 0.9295 0.9334 0.9054 0.9910 1.4622 1.3868 1.3911 1.3027 1.4396 1.0776 1.2751 1.6817 1.4642 1.3339 1.6101 0.7010 0.5531 0.7303 0.5589 0.6790 0.9756 1.3780 1.1756 1.1659 1.0057 1.1869 4-hydroxy-2-oxoglutaric acid 0.3233 0.0679 1.2130 0.5871 0.2451 0.1995 1.8814 1.7436 1.1135 1.1606 0.8788 0.5753 0.7496 0.8874 1.0000 0.8452 0.7452 0.6489 1.1085 0.5581 1.3333 0.7148 1.0081 1.2113 1.2454 0.8882 1.0324 0.3372 1.3359 1.6229 1.2537 1.2694 0.8172 0.7091 0.9539 0.4265 0.4605 1.0568 2.6012 1.2245 0.5208 1.6698 1.2855 1.5113 1.4184 1.1910 0.8239 1.4384 0.8926 0.5572 0.3562 1.0390 0.7548 1.0575 0.4889 0.5112 0.9408 0.7405 1.0535 1.0424 1.5404 0.8260 1.0388 0.7849 1.8555 1.6225 1.8723 1.1864 2.0514 0.2845 0.0679 0.0679 0.1778 1.0721 0.8740 1.2464 2.1104 1.5656 0.8921 1.7732 0.6094 0.7454 0.7474 0.8667 0.9907 0.6398 0.7758 0.9631 0.5896 0.9968 0.8180 1.0626 0.6891 0.8772 1.0282 1.1627 0.8174 1.4677 1.2882 1.4106 0.8484 1.1661 1.0580 0.6242 0.3847 1.0926 1.0532 0.5603 1.9617 1.6269 1.7490 0.9904 0.8406 1.0061 0.8028 1.8040 1.6772 0.3120 1.2260 0.8040 1.0064 0.7984 1.0154 0.7629 0.5107 0.6746 0.0679 0.8261 0.2274 0.7766 1.3391 0.9071 0.9864 0.9904 1.3892 0.0679 0.0679 1.3052 1.4804 0.2326 1.0853 1.7181 1.7590 2.2997 2.1800 1.5827 2.1194 0.5611 0.9252 1.2692 0.8633 0.8634 0.8318 0.7010 1.0778 1.0032 1.3027 0.9906 1.3052 0.9028 0.7978 2.0579 1.7525 1.3606 1.0000 0.7614 1.1365 0.9545 0.9251 1.2583 0.5607 1.5867 1.6490 1.3069 0.8128 2.0476 1.1739 1.6999 1.2539 1.1964 1.0570 0.7906 1.5589 0.7629 0.6818 0.6768 0.6977 5-acetylamino-6-amino-3-methyluracil 2.9124 2.7917 2.2093 2.7391 2.4134 2.4006 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 3.6557 0.0678 0.0678 0.2753 0.0678 0.4850 1.2287 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.3873 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 4.5093 0.0678 0.0678 0.9882 0.3237 0.0678 0.0678 0.0678 0.0678 0.2547 0.0678 0.0678 0.0678 0.0678 0.2440 1.2847 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.1258 0.0678 0.0678 0.0678 0.6781 5.3587 1.0118 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 1.3503 9.9197 1.0000 0.2986 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 3.0552 0.0678 0.0678 0.0678 0.4492 0.0678 0.3620 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.2947 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.1397 0.0678 0.6293 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 3.9316 1.5150 4.8194 0.2577 18.3413 0.0678 0.0678 0.0678 0.0678 0.5475 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 0.0678 2.9792 0.0678 0.1731 0.3107 0.0678 0.0678 5-acetylamino-6-formylamino-3-methyluracil 1.2094 1.1987 1.0000 1.2001 1.0715 1.0967 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 1.8210 0.0381 0.0381 0.2372 0.0381 0.3018 0.6821 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.1506 0.0381 0.0381 0.0381 0.1219 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 3.9000 0.0381 0.0381 0.8381 0.5369 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 1.4858 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 1.3995 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 1.1619 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.1266 0.0381 0.0381 0.0381 0.0381 0.0741 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 1.0000 0.3925 1.2537 0.0381 5.3060 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0381 0.0955 0.0381 2.1359 0.0381 0.0831 0.0381 0.0381 0.0381 allantoin 0.8822 0.7865 0.8179 0.7342 0.7728 0.8162 1.1426 1.1558 0.9914 0.8911 0.9306 1.0022 1.0572 1.0780 1.1028 1.0439 1.1086 0.7683 0.9442 0.8237 0.9680 0.8716 1.0058 0.9664 0.9307 0.8916 0.7829 0.7786 1.0431 1.4879 1.1375 1.4032 1.0441 1.3216 1.2772 0.9671 0.9733 1.0320 1.0814 0.8590 0.9872 1.5097 1.3146 1.4067 1.3861 1.3880 1.3137 1.1166 1.0196 0.9236 0.9336 1.0810 0.9309 0.9141 0.8131 0.7675 0.9486 0.7158 1.0257 1.0647 1.2132 1.1151 1.0764 0.8220 1.1831 1.2984 1.1997 1.1898 1.0783 0.9578 0.9018 0.8483 0.9384 0.9518 1.0217 1.0000 0.9374 0.7612 0.9905 1.1323 0.9952 1.0443 1.2089 0.9526 1.2048 1.1453 0.9909 0.9943 1.1401 1.6743 1.1170 1.1155 1.1868 0.9067 1.0744 1.0696 0.7992 1.1725 1.1097 1.2169 1.1381 1.2143 1.1989 0.8684 0.9061 0.9693 0.9572 0.9520 1.0122 1.2023 1.1853 1.2403 0.9057 0.7858 0.9707 1.3962 0.9867 1.0749 1.0974 0.8213 0.8272 0.8903 0.6842 0.8169 0.4143 0.6408 0.4787 0.5608 0.6249 0.9474 1.0022 0.8977 1.0110 1.0327 0.9776 0.7072 0.7436 0.8241 0.8441 0.6554 0.9537 0.9702 1.0495 1.0808 1.0865 1.1987 1.1496 1.0606 1.0288 1.1077 1.2072 1.0554 1.1550 0.9978 0.9623 1.0135 0.9860 0.9132 0.9872 1.2445 1.1286 1.1610 0.9743 1.1811 1.2969 0.7177 0.6530 0.8883 1.0738 1.0584 0.8193 0.9268 1.1685 0.9513 0.8804 1.2487 0.7271 0.9634 0.7783 0.9187 0.9126 1.1016 1.2383 1.4925 1.1814 1.0187 1.0735 alpha-hydroxyisovalerate 0.8917 0.7831 0.7372 0.7947 0.9715 0.8968 1.1181 0.9844 1.0345 0.8609 0.9718 1.6557 1.5008 1.4633 1.5270 1.4321 1.6344 1.4841 1.2085 1.4872 1.2772 1.4331 1.5904 0.8347 0.7881 0.7581 0.6257 0.8524 0.7208 1.5804 1.9249 1.6218 1.4530 1.5669 1.5054 1.2634 1.1960 1.1965 1.2019 0.9442 1.1615 0.9893 0.8996 1.2060 0.9995 0.9897 1.0701 0.4130 0.4164 0.4800 0.5208 0.4610 0.4217 0.6906 0.7699 0.7717 0.7275 0.8080 1.3138 1.4020 1.3777 1.7274 1.2866 1.3509 1.2813 1.3961 1.2370 1.0925 1.2422 0.5024 0.7087 0.5412 0.4721 0.6015 0.4293 1.4837 1.4846 1.3123 1.2753 1.3589 0.8527 0.7572 0.8182 0.6781 0.6817 0.6906 0.8165 0.8853 0.8400 0.9404 0.8724 0.8732 1.1763 0.9023 0.9189 0.9601 0.8809 0.8858 0.8764 0.9314 0.8936 0.9818 0.9959 2.1864 2.0403 2.0525 2.1459 1.8284 1.9989 1.0968 1.3257 1.1592 0.9243 1.0360 1.0385 0.6447 0.8905 0.7917 0.9088 0.6460 0.8094 0.6533 0.7429 0.7932 1.0384 1.0691 0.9745 1.0724 1.1860 1.9033 1.9296 1.7370 1.9290 2.0050 2.0324 1.1747 1.1808 1.0970 1.3222 1.2044 1.2257 1.2023 1.5252 1.0893 1.1426 1.1309 1.2959 1.1781 1.0149 1.0645 1.0751 1.2185 1.0000 1.0041 0.9526 1.2875 1.0219 1.2484 1.2490 0.9976 0.9482 1.0024 0.9606 1.0772 1.0591 0.8466 0.7253 0.7856 0.7276 0.7078 0.8964 0.8995 1.0166 1.1220 0.8962 1.0853 0.5180 0.4099 0.5461 0.4679 0.6077 0.6287 0.9748 0.6879 0.6342 0.7233 0.8314 alpha-ketobutyrate 0.8742 1.0412 1.1916 1.4743 1.5819 0.7159 0.7359 1.0944 1.0685 0.9980 0.8242 1.1258 0.8483 0.8636 0.8865 0.9100 0.8206 1.2164 1.0035 2.3141 0.9520 1.9356 1.0130 0.9232 1.0754 0.6219 1.1809 0.7835 0.8773 0.6656 1.3768 0.9201 1.2184 1.2281 1.1006 1.8421 1.1956 1.1959 1.7668 1.2890 1.0383 0.4015 0.4878 0.5093 0.5372 0.6663 0.8846 0.9484 1.0487 2.2431 2.0500 0.9733 1.4954 0.9726 2.5888 2.8522 0.9965 1.5393 1.2480 0.9893 0.7057 1.0875 0.6547 0.8400 0.7596 0.8784 0.6316 1.3574 0.9736 1.5630 2.2127 1.5828 0.6211 1.5340 0.5681 0.5521 0.3270 1.2360 0.7520 0.4040 1.5544 1.2252 0.7759 1.0551 0.5076 0.4535 0.7242 0.7087 0.4752 0.9695 0.5270 0.5693 1.1308 1.1231 0.9253 1.0107 1.1455 1.2002 1.2704 1.0189 1.8874 1.2537 1.5681 0.6493 0.7794 0.4770 0.8010 0.4874 0.2207 0.6506 0.7247 1.3548 0.9747 1.1236 1.3713 0.9501 1.5366 1.5537 1.4845 0.4983 0.5956 0.8320 0.7582 0.6467 1.3525 1.0416 1.5071 1.2674 1.4559 1.0967 1.3409 0.9947 2.0550 1.3372 1.3532 1.1150 1.2374 0.9160 1.4016 0.8354 1.1029 1.0610 1.6192 0.7401 1.3563 1.0362 1.4398 0.7269 1.2520 1.7782 1.1002 0.7798 1.0144 0.7448 0.9307 0.9867 0.7338 1.2792 0.9775 0.6478 1.1263 0.8456 0.9042 0.6802 0.7584 1.9351 2.1017 1.1524 0.7065 0.6701 0.6360 0.6616 0.6168 1.1680 1.1369 0.6317 0.9410 0.4935 1.0000 0.5272 1.2546 0.6945 2.3165 1.2190 0.6990 1.7175 1.0813 alpha-ketoglutaramate* 1.5586 1.3346 1.1121 1.0000 0.9865 1.1874 1.0274 1.0738 0.7815 0.5993 0.7792 1.2651 1.1967 1.2810 1.2752 1.2274 1.2565 0.6187 0.6521 0.6891 0.8599 0.6887 0.9891 0.8695 0.9127 0.6423 0.6736 0.7788 0.9322 1.3880 1.1309 1.3988 0.8759 0.8209 0.8135 1.1992 1.2271 1.2361 1.2661 0.9170 1.0452 1.2088 1.1221 1.0279 1.1259 1.0931 1.0247 0.7737 0.6294 0.4810 0.5442 0.7962 0.4841 0.9518 0.5465 0.7022 0.9304 0.8017 1.1822 1.0976 1.4773 1.1981 1.4610 1.0327 1.0107 1.1157 1.0060 0.9740 1.0114 0.8480 0.7298 0.7275 0.8440 0.7082 1.0441 1.2896 1.2524 1.1399 1.1034 1.3172 0.7206 0.9384 0.8326 0.6680 1.1986 1.1705 1.5117 1.2665 1.4345 1.4175 1.5260 1.5193 1.1291 0.8566 0.9036 1.1099 0.9673 0.9331 1.0047 0.9953 0.8947 1.1106 0.9658 1.2660 1.3440 1.5030 1.2832 1.3490 1.6101 1.1583 1.1475 0.9386 0.8242 0.8812 0.8300 0.9351 0.7356 0.7368 0.7289 0.9930 1.0561 0.8860 0.8532 1.0807 0.4885 0.9233 0.6800 0.7759 0.6154 1.0614 1.3980 0.9325 1.2255 1.3751 1.1060 0.6684 0.6792 1.0474 0.7306 0.7274 1.0083 0.7958 0.8552 1.0835 0.8847 1.1873 1.1726 0.8391 0.7009 1.0258 1.1389 0.7339 1.1864 0.9376 1.1039 1.0927 0.9916 1.0639 1.1425 1.5252 1.2753 1.4832 1.3022 1.4566 1.4713 0.8030 0.7801 0.9550 1.1723 1.1402 0.6963 0.8362 1.3539 0.8562 0.7580 1.4465 0.7584 0.9498 0.7066 1.1094 0.7706 1.0914 0.7643 0.7323 0.9059 0.5012 0.5783 alpha-ketoglutarate 1.0939 1.0000 0.9311 1.1900 0.9603 0.8247 1.1787 1.0916 0.9939 0.7662 0.8088 1.0702 1.1439 1.2807 1.1094 1.1104 1.3338 0.9021 0.7485 1.1731 0.9945 0.9454 1.0334 1.0425 0.8574 0.8088 0.9240 0.9489 0.8593 0.7602 0.8855 0.7862 0.6193 0.6161 0.5741 1.0880 0.8963 0.9905 0.8892 0.7049 0.9130 0.7998 0.8397 0.8262 0.8347 0.8354 1.0063 1.2471 0.9002 0.7618 0.9290 1.2094 0.8638 1.0416 0.8720 0.8127 1.0158 0.8940 0.9689 0.8793 1.1029 0.9918 1.2307 0.8662 0.9839 1.0055 0.9262 1.0943 1.0152 1.0470 0.8959 0.8075 0.8326 0.9776 0.8973 1.1101 1.0286 0.8812 1.0459 1.0916 1.3991 1.3248 1.1914 1.2754 1.2905 1.3792 1.2467 1.2902 1.2798 1.7420 1.4169 1.5157 1.3432 1.1478 1.3516 1.2285 1.2348 0.9319 0.8205 0.8029 0.8655 0.8710 0.9189 1.0239 0.9462 1.0266 1.1863 0.7393 1.0920 0.9224 1.1030 0.8204 0.7221 0.6716 0.8414 1.3650 1.4285 1.0971 1.4012 1.7571 1.6391 1.4391 1.4628 1.7063 0.8154 0.9562 0.9256 1.0258 0.8818 1.0556 1.0901 0.8483 0.8847 1.0618 1.0235 0.8841 0.8539 1.0992 0.9280 0.8419 1.1382 0.7449 0.8546 1.0992 0.7579 1.2950 0.7772 0.8767 0.8858 1.0205 1.5618 1.0455 1.1802 1.0840 1.4141 1.0535 1.1066 1.1033 1.2216 1.0406 1.2825 1.0082 1.1856 0.9881 1.2628 0.8079 0.8212 0.5496 0.6882 0.7508 0.9213 0.8469 1.1226 1.1482 0.8787 1.2650 0.8539 0.9607 0.8462 0.9597 1.1199 1.2301 1.3468 0.9619 1.1257 1.1656 1.2328 arabinose 0.9766 1.0720 0.4354 1.0871 0.7001 0.0728 0.0728 0.8854 1.1197 0.0728 0.0728 0.6505 1.0000 0.9776 0.0728 0.0728 0.6674 0.6800 0.9594 0.6612 0.0728 0.0728 0.0728 1.1004 1.0803 1.1918 0.7566 0.0728 0.2817 0.8872 1.4198 0.0728 1.0412 0.3195 0.7954 0.3610 0.0728 0.5969 0.4304 0.7222 1.0046 0.0728 1.3764 1.0987 1.3609 0.9692 0.9700 1.1319 0.8167 0.0994 0.0728 0.8088 1.0445 0.2319 0.8870 0.0728 0.8877 1.2350 0.0728 1.0295 0.3803 1.1033 0.2582 0.8553 0.8188 0.9794 0.0728 0.0728 0.0728 1.2600 0.0728 1.3012 1.1763 0.0728 1.0147 1.0028 0.8714 0.8599 0.9476 0.0728 1.0712 0.0728 0.4228 0.4077 0.9327 1.0108 0.0728 1.2014 0.9908 1.1226 0.9897 1.4575 1.0902 1.1850 0.4529 1.0397 1.1904 0.0728 0.0728 0.0728 0.8470 0.0728 0.7696 0.0728 0.4474 0.0728 1.1124 1.0310 0.9001 0.0728 1.0142 1.2470 1.0527 0.1855 0.2646 0.0728 0.8730 0.0728 0.0728 0.0728 1.3590 1.1811 1.0410 1.2725 0.0728 0.0728 0.9918 0.0728 1.0121 1.1389 0.9150 0.7217 0.0728 1.0238 1.1560 0.0728 0.0728 0.0728 0.8076 0.8950 1.1978 0.0728 1.2329 0.3508 0.0728 1.1393 1.1760 0.0728 0.0728 1.3855 1.2781 1.2637 0.9944 0.0728 1.0554 1.0531 0.0728 1.0092 0.0728 0.3391 1.0000 1.0161 0.9948 0.9397 0.8320 0.6215 1.1017 0.0728 1.2557 1.3947 0.0728 1.4175 0.3912 1.3709 0.5396 1.0564 1.5448 1.5259 1.4581 1.3091 0.7116 0.1772 0.0728 0.8723 1.1039 0.0728 0.0728 arabitol/xylitol 0.8654 0.7217 0.8632 0.6237 0.7654 0.9387 1.1959 1.1093 1.0161 0.9239 1.0893 1.1080 1.2412 1.1497 1.1805 1.2909 1.1770 0.7684 0.8241 0.7650 0.8795 0.7745 0.9839 1.0576 0.9824 0.9407 0.9087 0.8707 0.9923 1.1584 1.1569 1.1391 0.8141 0.9535 0.8066 0.9789 1.1326 1.1366 1.1304 0.9141 1.0083 1.3423 1.2230 1.3205 1.2483 1.1749 0.9858 1.1229 0.9150 0.9160 0.7362 0.9791 0.7723 1.0421 0.6848 0.8244 0.9452 1.0370 0.9357 1.0077 1.1118 1.0701 1.0992 0.8627 0.9601 0.9122 0.8457 0.8454 0.8715 0.9351 0.6784 0.9049 0.8326 0.8954 0.9790 1.0849 1.2766 1.0576 1.0000 1.1209 0.9061 1.1399 1.1016 0.8748 1.2542 1.2117 1.3923 1.2425 1.4776 1.3268 1.4169 1.5319 1.1185 0.8299 1.0096 1.0321 0.9495 1.1361 1.0047 1.1424 0.9951 1.3351 1.0643 0.6761 0.7652 0.8133 0.8347 0.8454 0.9169 1.4225 1.3398 1.2660 1.1343 1.0130 1.0120 0.9297 0.7621 0.8449 0.6785 0.9373 1.1241 0.9219 0.9053 0.9938 0.6876 0.9195 0.8455 0.8058 0.8368 0.9724 1.0009 0.8748 0.9003 0.9999 1.0001 0.6605 0.7049 1.0062 0.8187 0.6333 0.9348 0.8469 1.0141 0.9344 0.8777 1.1164 0.8012 1.5330 1.2127 1.3916 1.5159 1.3136 1.4708 1.1190 1.2969 1.2959 1.2138 1.1731 1.1230 1.4645 1.2865 1.4414 1.1780 1.2885 1.3878 0.8358 0.7764 1.1460 1.2859 1.3915 0.9664 1.4214 1.8546 1.1482 1.2555 1.9953 0.7542 0.9830 0.6999 0.9749 0.8022 1.1309 0.9275 1.0767 1.1216 0.7098 0.8700 arabonate/xylonate 1.3182 0.9686 0.7249 0.7047 0.8294 1.2925 1.0153 0.8344 0.6406 0.8792 1.1505 0.9693 0.9943 1.5219 0.9034 1.1727 0.9297 0.5993 0.5342 0.5319 0.7086 0.5247 0.6939 0.8113 0.8885 0.9708 0.5371 0.8470 1.0292 1.2453 0.9155 1.1594 0.6127 1.0622 0.6293 0.9220 1.1841 1.2212 1.4219 1.0262 1.2870 1.7207 1.4277 1.3555 1.4110 1.5291 1.0717 1.2210 0.6867 0.5158 0.6315 1.0559 0.8013 0.8015 0.6458 0.7874 1.0597 0.6553 0.8946 1.1559 1.2171 0.8968 1.3746 1.0330 0.9796 0.9252 0.8861 0.8290 0.6785 1.2245 0.8159 1.2035 1.2663 0.9063 1.4229 1.2773 1.2968 0.6732 1.1545 1.1824 0.7629 0.7762 1.2405 0.7342 0.6911 1.1076 1.6113 1.1373 1.7429 1.2485 1.7845 1.4796 1.3163 0.9628 1.1362 1.1770 0.9271 1.3978 1.5105 1.5529 1.2014 2.1210 1.3905 0.6618 0.8605 0.9767 0.6655 0.7403 0.9985 1.7757 2.0555 1.1695 1.5383 1.1230 1.2471 1.3844 1.0188 1.1374 0.9773 0.8288 1.3094 0.9235 0.5909 0.8725 0.3273 0.9275 0.4398 0.6568 0.6230 0.9984 1.0459 1.0497 1.0016 1.1784 1.2100 0.8145 0.4796 0.9550 0.6397 0.6342 0.7209 0.8541 1.0240 1.0944 0.6326 0.9935 0.9047 1.2222 0.9655 0.9420 1.2173 1.1786 1.6207 1.1221 1.2123 0.9782 1.0807 0.7303 1.0098 2.2301 1.4975 2.4600 1.7645 1.7549 2.3879 0.6123 0.5181 0.7870 1.1355 1.4743 1.4808 0.9913 2.1655 1.3889 1.3031 2.5109 0.4999 0.5195 0.5023 0.8846 0.6694 1.2647 0.8527 1.0000 1.2052 0.6826 0.8686 ascorbic acid 2-sulfate 0.9367 0.7540 0.8647 1.0549 0.8896 0.9501 1.1261 1.1201 1.1904 1.0144 1.0839 0.5108 0.5666 0.4698 0.5895 0.4668 0.4945 0.8358 0.9960 0.7839 0.9611 0.9299 0.8901 0.6191 0.7653 0.6855 0.5778 0.8457 0.5975 1.0923 1.2326 1.2544 0.9006 0.9066 0.9013 1.3337 1.2766 1.4559 1.4291 0.8367 1.3786 1.2101 1.1625 1.0424 1.1235 1.2128 1.1176 1.0000 1.1477 0.7942 0.8918 1.2503 1.0415 0.8627 0.8239 0.7831 0.8819 0.8091 0.8348 0.9288 1.1466 1.0318 1.3457 0.8421 0.9528 0.9113 1.0219 0.9146 1.0388 0.9743 0.4268 0.6381 0.9411 0.8335 0.9498 1.3384 1.2364 0.8466 1.0680 1.2119 0.7361 0.7030 0.6873 0.7050 0.8042 0.6902 1.1213 0.9568 0.9844 1.0840 0.9793 1.1387 1.5368 1.4399 1.3562 1.3070 1.8696 1.2540 1.6349 1.5249 1.4910 1.5919 1.2817 1.0244 1.0769 1.2809 1.0615 1.1622 1.1818 1.1583 1.4238 1.3226 1.2372 0.9386 1.1911 0.8579 0.8075 0.8558 0.7461 0.8783 1.0195 1.0258 0.7600 1.0040 0.6455 0.7977 0.7443 0.9682 0.7550 0.9242 0.7761 0.7849 0.8366 0.8355 0.9322 0.3660 0.3671 0.3805 0.4809 0.4050 0.4720 0.8615 1.0937 1.1532 1.1158 1.1980 1.1232 0.7069 0.7396 0.7026 0.8478 0.8304 0.7967 1.1725 1.2581 1.3272 1.1257 1.1791 1.1891 3.0599 3.4386 2.9791 2.4824 2.3299 2.4350 1.2767 1.1712 1.4175 1.5454 1.4020 1.2461 1.1617 1.5159 1.2696 1.1044 1.5607 1.2797 1.2728 1.2174 1.3320 0.9710 0.6924 1.1440 0.7423 0.7825 0.6155 0.7744 ascorbic acid 3-sulfate* 1.2503 1.1943 1.1059 1.8334 1.6148 1.8695 0.5441 0.5422 0.6728 0.7029 0.8197 0.7375 0.6928 0.6378 0.8376 0.6976 0.6855 3.1406 8.0857 2.8055 3.9771 3.2779 2.2680 0.4814 0.5445 0.6671 0.5729 0.6465 0.5340 0.9671 1.2487 1.0111 1.0589 1.2851 0.9993 1.4604 1.6148 1.4543 1.8868 1.4127 1.5572 2.4051 2.5831 2.3462 2.3610 2.8829 2.6884 1.0000 1.0961 1.1188 1.0963 0.9041 1.1939 0.7420 0.9371 0.9376 0.6369 0.8292 1.2344 1.5455 1.0664 1.2034 1.1841 1.3021 0.5231 0.4859 0.4923 0.5334 0.4782 0.5276 0.6259 0.7242 0.4716 0.5892 0.4727 1.3294 1.2607 1.1295 1.1373 1.1411 0.7204 0.6620 0.8696 0.6831 0.5641 0.4558 5.6395 5.0566 5.5629 4.8032 4.6790 5.3926 0.8997 1.0334 0.9672 0.8897 1.0328 1.0007 1.1889 1.1274 1.0631 1.3893 1.0822 1.1759 1.1518 0.9565 1.2890 1.1940 0.8363 1.0426 1.2130 1.2947 1.3727 1.4342 1.2629 0.4022 0.5691 0.5402 0.4726 0.6180 0.7518 0.7253 0.5222 0.6674 0.4051 0.2814 0.2997 0.3205 0.3792 2.0047 1.7537 2.0897 1.9905 1.7579 1.9568 0.1944 0.1502 0.1323 0.1916 0.3310 0.1487 1.8955 2.0497 1.4534 1.5361 1.6028 1.8089 0.5478 0.4304 0.4938 0.4213 0.6717 0.3999 0.9292 0.8408 0.8833 0.9038 0.8426 0.8599 1.3619 1.0528 1.3053 1.0899 1.1164 1.0832 0.7141 0.8187 0.6940 0.5521 0.5909 1.2789 0.9938 0.9870 1.1241 1.0412 1.1395 1.3576 1.4425 1.2670 0.8206 1.1694 0.3940 0.8024 0.4226 0.4528 0.5203 0.5356 azelate (nonanedioate; C9) 1.5284 1.4511 0.7786 1.0437 0.9767 1.5901 1.1852 1.2531 0.8888 1.2379 0.8840 1.1599 1.2902 1.9785 0.8470 1.2119 0.9839 1.1581 1.0589 1.1206 1.3106 1.1037 1.7079 1.9479 1.1602 1.3066 0.8726 0.9210 0.9323 1.7057 0.6529 1.0630 0.4292 1.7424 0.8732 1.4953 1.6497 1.0579 0.9774 1.2030 0.7177 1.6715 0.9029 1.2907 1.0578 1.8135 1.2498 0.9798 0.7816 1.3412 1.0954 1.5244 0.9828 1.0613 0.7925 1.0826 0.9414 0.4953 1.0373 1.3984 0.4034 1.1384 0.7496 0.7450 0.6273 0.9010 1.8303 4.6113 0.9002 0.7806 0.9590 0.7266 1.5876 2.1521 1.1202 1.1857 0.7048 1.3464 0.8121 0.9246 0.8533 0.7156 1.4737 1.7817 1.4733 0.8199 1.3183 2.1762 1.6319 0.9285 0.9693 0.7324 1.1303 0.5718 1.1693 1.0083 0.4034 1.1435 0.9650 0.6791 1.2122 0.9975 0.7858 0.5833 0.9104 1.0663 0.7907 0.5243 0.6736 0.8807 1.3043 0.6951 0.6185 1.0823 0.7718 0.6624 1.4375 1.1020 1.2286 0.9598 1.6006 0.9779 5.5895 1.2255 1.4415 0.4034 0.4034 0.4801 0.9917 0.9163 0.4542 0.6695 0.4735 0.8489 0.6252 0.8924 0.9217 0.6388 0.6362 0.8248 0.4796 1.0708 1.4487 1.0000 0.7831 1.3811 0.6619 1.0331 1.0782 0.7308 1.1115 1.7066 1.3478 1.2054 1.2757 1.5834 1.0917 1.1802 1.0179 0.7003 1.7182 0.6427 0.4034 0.4034 0.4410 0.8760 0.4034 0.4396 0.8755 1.0025 0.9907 0.4984 1.4418 0.6699 0.7241 1.3070 0.6224 0.4508 0.9329 0.8189 1.1788 1.1516 1.1878 0.8506 0.5803 0.9635 1.2134 caffeic acid sulfate 0.1558 0.1558 0.1558 0.1558 0.1558 0.9745 0.1558 0.1558 0.1558 1.0097 0.9052 0.1558 0.6929 0.8016 0.4221 0.5026 0.1558 1.4399 0.1558 0.9780 0.5679 2.1107 1.2132 0.8305 1.0893 1.5321 0.1558 2.1803 1.4391 1.1933 0.1558 1.1151 0.1558 6.6735 1.0000 0.1558 0.5346 0.1558 0.1558 0.9903 0.1558 0.2333 0.1558 1.0612 0.1558 8.8113 0.1558 0.1558 0.1558 0.5303 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 3.1836 0.4533 0.1558 0.4227 0.1558 0.1558 0.3604 0.3400 0.1558 0.1558 0.9026 4.3290 1.4093 4.8000 1.9129 2.2450 0.1558 0.8709 0.1558 0.7999 0.1558 0.1558 0.1558 2.4672 0.1558 0.3954 0.1558 1.1694 1.3691 2.6442 0.1558 1.0625 0.2475 0.8467 0.5011 1.0000 0.9873 0.1558 0.8830 0.6451 1.1559 0.4170 4.0794 1.2106 0.1558 0.5398 0.1558 0.1558 0.1558 0.1558 0.6531 0.1558 0.1558 1.6687 0.1558 0.2526 1.2312 0.1807 1.1179 1.2817 0.2874 0.5626 0.1558 0.1558 0.1558 0.1558 0.8701 0.2048 2.2499 0.7152 0.1558 0.1558 0.2369 0.1558 0.1558 0.1558 0.8750 0.1558 0.1558 0.1558 0.1558 0.1558 2.0752 2.3635 0.1558 0.1558 0.8543 5.8345 3.3770 1.2458 0.1558 1.0908 1.7736 1.3794 0.9012 1.6275 0.4806 1.8019 0.1558 0.3991 1.1480 0.5077 3.3516 1.7163 1.2404 3.2843 0.1558 0.6819 0.1558 0.9683 1.2865 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.1558 0.2610 chiro-inositol 0.1932 0.6869 0.1932 0.6866 0.1932 0.1932 0.3815 0.5806 0.1932 0.1932 0.1932 0.5304 1.0007 2.0143 4.8457 0.1932 1.3004 2.5548 0.1932 0.1932 0.6414 0.4856 0.5839 0.7357 3.9069 0.1932 0.1932 0.1932 0.1932 1.3290 0.1932 0.7041 0.1932 0.1932 3.0445 0.1932 0.1932 0.1932 1.0261 0.1932 0.1932 7.0126 1.2263 0.8711 0.9710 0.5687 0.8490 0.8129 0.1932 0.1932 0.1932 0.5561 9.7151 0.7885 1.2058 0.1932 0.4526 0.6041 0.1932 0.1932 0.1932 0.5071 1.0300 6.6574 12.1201 0.4532 1.8493 0.4439 1.0467 0.1932 3.9199 0.1932 0.5835 6.9834 1.0000 6.4393 1.1343 0.7203 1.2589 2.1764 0.4886 0.1932 0.1932 1.5677 0.8642 1.1408 19.0066 1.0000 0.1932 0.8660 2.0753 1.2705 0.7693 0.1932 0.1932 0.6049 0.1932 1.2005 7.5912 0.9230 0.6492 0.1932 0.8103 0.1932 0.1932 0.9211 3.6808 0.4892 1.7444 1.1019 2.1174 0.1932 0.1932 5.8765 0.6577 0.9565 3.9786 0.1932 0.4558 2.0343 0.1932 5.8008 0.5572 1.4559 2.6135 0.9700 0.1932 0.5461 0.1932 0.1932 0.8761 0.1932 0.1932 0.4054 3.8619 0.1932 0.1932 0.7448 0.1932 3.6431 0.4834 4.6694 0.1932 0.7050 0.1932 0.1932 0.1932 0.1932 0.6344 0.1932 1.0473 5.8704 1.1080 5.9859 0.7679 0.3709 0.1932 0.1932 0.5648 8.3319 0.1932 0.1932 0.8750 1.1041 1.5220 0.5036 7.2336 0.1932 1.0683 1.8055 7.7162 0.7502 2.0465 0.7858 0.1932 1.7008 1.0216 0.1932 0.1932 0.1932 0.1932 0.9268 0.1932 0.4333 0.8120 0.7099 0.1932 decadienedioic acid (C10:2-DC) 1.0463 0.8202 0.1785 0.8505 0.7352 0.3345 0.1785 0.1785 0.1785 0.1785 0.1785 0.1785 0.1785 0.1785 0.1785 0.1785 0.1785 0.7241 0.1960 0.8765 0.4065 1.1175 0.5866 0.4753 0.5496 0.3920 0.2012 1.1213 0.5317 1.1795 1.2885 1.4348 1.5657 0.6891 1.0252 2.7542 2.0646 1.9490 2.1718 1.3089 1.4331 1.0516 0.9638 0.6787 1.0513 1.0000 1.3114 0.4634 0.1785 1.0415 1.3078 0.8971 0.9563 2.2629 2.2922 2.8899 2.0099 0.5772 0.9772 1.1806 1.4523 1.8044 1.1831 1.6422 0.1818 0.3054 0.2308 0.4290 0.2133 1.9828 3.2077 1.5248 2.3502 3.4879 2.0161 1.0836 0.6685 0.9375 1.0245 0.8070 2.0046 0.1785 0.6833 1.4661 1.5277 1.5162 1.0729 0.8961 0.5454 1.2952 1.0379 1.2735 0.6397 1.1188 0.7543 0.7549 0.9697 1.8508 1.7717 1.9914 2.7338 1.8818 2.2751 0.5683 0.4281 0.4949 0.6884 0.1818 0.4295 0.6525 0.5172 0.6268 0.7918 1.8447 1.4851 0.7867 1.0184 0.4407 1.0097 2.3013 1.5718 1.8473 1.7758 1.8036 1.2096 0.6896 0.2210 0.4940 1.2574 0.6288 0.9186 0.6812 0.4001 0.8279 0.9748 0.5814 0.4507 0.4414 0.9686 0.7700 0.6199 1.2858 0.6138 0.4406 0.6943 1.3026 0.9026 0.6979 1.2269 1.0330 1.7237 1.9212 1.4122 0.4353 0.2228 0.4355 0.1785 0.8273 0.5272 1.3100 2.1187 0.8194 1.5141 1.0228 1.1643 2.1870 2.0893 0.6974 1.1037 0.7290 1.9892 0.8356 1.8938 3.1218 0.8778 2.9955 0.3775 0.1785 0.1785 0.4598 0.4298 0.9860 5.6004 0.6644 1.6028 1.6878 1.3399 dihydrocaffeate sulfate (2) 0.9366 0.3508 0.0957 0.0957 1.0000 1.8338 0.2363 0.7242 0.0957 1.1514 0.4919 0.5928 1.7074 1.8020 0.7746 2.1327 1.2370 7.6642 0.6676 4.9336 13.6874 2.4249 8.9952 3.3227 1.5506 1.4900 0.0957 3.5927 1.0891 0.5584 0.0957 0.4801 0.0957 1.6923 1.1600 0.3173 5.8412 2.4007 2.6121 6.0681 2.8975 0.8969 0.4501 0.6360 0.3959 1.6175 0.0957 1.0396 0.1869 0.9021 1.1518 1.0579 0.5302 0.1823 0.1478 0.0957 0.0957 0.0957 0.0957 0.7684 0.2378 0.2590 1.0000 0.3708 0.0957 0.0957 0.8799 0.0957 0.3239 0.8635 1.2096 2.7983 3.1257 2.1201 6.2950 5.1816 1.9592 0.5061 3.7560 2.9541 1.4086 0.0957 0.9969 0.3653 1.3661 0.8753 3.2214 1.5962 2.6424 0.2776 3.0925 0.8558 4.6720 0.2499 2.9490 0.5976 0.0957 0.8087 0.9134 1.2798 0.8703 0.8437 1.6314 0.0957 0.8903 0.9180 0.5957 0.0969 1.4577 0.0957 2.1519 0.0957 1.6115 0.5218 0.5596 3.2891 1.0151 0.9502 3.2651 1.4210 2.0669 0.4893 0.0957 1.1745 0.3906 0.9091 0.0957 0.7622 0.8475 0.0957 1.1737 0.5796 0.0957 0.6629 0.6545 0.5694 0.1564 0.5610 0.1711 0.1855 0.3030 1.1070 0.3438 1.8605 0.2113 0.7954 2.1563 9.3283 6.7680 6.5386 11.1119 10.6298 13.7667 5.0399 2.6317 0.7799 2.8545 0.0957 0.4459 1.0543 0.0957 1.2450 1.1627 0.6513 2.1514 0.0957 0.4624 0.2008 1.0000 1.3100 0.3167 0.2278 2.4805 1.1247 1.8748 0.6200 0.5113 0.4077 0.5050 1.2205 1.0000 2.1748 0.0957 0.0957 0.2721 0.3065 0.6365 dihydroorotate 1.7344 0.7082 0.8345 0.7810 0.6907 0.9590 0.7691 0.4136 0.2504 0.6335 0.3167 0.1488 0.3276 0.3153 0.2753 0.7181 0.4983 0.3394 0.2106 0.1939 0.9161 0.0573 0.2622 1.4867 1.0290 1.1402 1.9408 1.1642 0.6236 0.2771 0.2612 0.2705 1.0202 0.2184 0.2901 0.4579 0.2326 0.0573 1.3002 1.6231 0.5684 3.0303 3.1925 4.1748 3.7714 2.9830 3.8104 1.6778 0.4134 1.1851 0.6523 1.1111 0.5983 0.4143 0.1041 0.2623 0.3808 0.4072 1.5078 1.1063 0.8813 1.1209 0.8849 0.8867 1.3941 0.8238 0.8421 1.2268 1.4416 1.2760 0.5457 0.6599 1.5121 0.6339 0.8141 1.6068 1.4031 1.5143 1.9517 1.0851 0.5351 1.3369 0.7993 0.3525 1.6280 1.8181 1.1966 1.1971 1.3146 0.4089 0.8601 1.3417 0.2051 0.2710 0.3413 0.2708 0.0573 1.7576 1.1851 1.5332 1.3648 1.9038 1.9406 0.7697 1.5806 1.3884 1.3039 1.0386 1.4295 1.3121 1.2786 0.8461 0.9036 1.2065 0.6226 0.1922 0.4129 0.3461 0.4803 1.7406 1.2638 0.9998 1.5611 1.4909 2.7038 1.8329 2.0104 1.3569 1.9524 1.3745 1.8515 1.2938 0.9543 1.6049 1.0000 1.7636 1.4700 1.9604 1.3702 1.9706 3.0330 1.3323 1.0332 1.5193 0.6234 1.7842 1.0577 0.7275 0.0573 0.5343 0.5737 1.4199 0.8191 1.3829 1.6120 0.8817 1.6022 1.6987 1.5986 0.7801 0.7129 0.8482 0.9710 1.1311 0.6804 0.2824 0.7775 0.2934 0.5518 0.3806 1.4049 1.6547 1.4523 1.4609 1.5668 2.3437 0.8204 1.0000 0.7276 1.1963 0.9501 1.0886 0.8292 0.3546 0.7822 0.5832 0.8494 erythritol 1.1782 1.1819 1.1911 0.6089 0.6948 1.1265 0.9733 1.2132 0.9763 0.7299 0.8273 1.3419 1.7911 1.2517 1.4655 1.7195 1.4159 0.5528 0.7226 0.5312 3.4994 0.6142 1.0362 0.9565 0.9389 0.7360 0.9352 0.5857 0.8893 1.3848 1.5032 1.4090 0.9976 0.8929 0.8288 0.9137 0.8045 0.9917 1.4906 1.1581 0.7862 1.5821 1.2538 1.1567 1.0341 1.2238 0.7879 1.2999 1.1222 0.6518 0.5917 0.9778 0.6223 1.0564 0.5625 0.7481 1.0045 1.0396 1.1199 0.9979 1.3469 0.9174 1.1878 0.9478 0.7493 0.9387 0.9383 0.7816 0.8620 1.1552 0.5230 0.7472 0.9508 0.7843 1.4583 0.7855 1.3457 1.0119 0.6662 1.2429 0.6868 1.3724 0.7265 0.6551 1.0967 1.1102 1.3299 0.9264 1.2214 1.0229 1.0522 1.1345 1.2041 0.6999 0.9061 1.0090 0.9499 1.3583 1.5338 1.2949 1.4394 1.6321 1.5252 0.5359 0.6955 0.6799 0.7626 0.6963 0.8653 1.7663 1.9878 1.7020 1.1985 1.3457 1.3997 1.0360 0.8872 0.8972 0.5650 1.1669 1.0928 0.9957 0.8810 0.9649 0.6829 1.4902 1.0096 1.0021 0.8062 0.7927 0.9491 0.9296 0.9979 1.0388 0.9204 0.7527 0.7267 1.0932 0.6870 0.5052 1.2492 0.8702 0.8461 0.6996 0.6739 0.8991 0.7799 1.3499 0.8595 1.7344 1.7481 1.2573 2.1153 1.0382 1.3336 0.9355 0.9928 0.9178 1.0799 1.7035 1.5015 1.7782 1.5475 1.4301 1.8614 0.6513 0.6471 1.1492 1.0021 1.4868 1.0574 1.1296 2.0780 0.9229 1.0000 2.1851 0.7777 1.0111 0.5541 0.9421 0.7139 1.6654 0.9401 1.4865 1.4230 0.7232 1.0038 erythronate* 1.0117 0.9444 0.9214 0.7853 0.8125 0.9369 1.0710 1.0640 1.0231 0.8067 0.8791 1.1505 1.1435 1.1128 1.1399 1.1337 1.1572 0.7360 0.7725 0.6506 0.7698 0.7294 0.8289 0.7815 0.8163 0.7326 0.7158 0.7530 0.8456 1.2219 1.2581 1.2340 0.9786 1.0875 0.9492 1.0776 1.0972 1.1089 1.2255 0.8453 1.0910 1.3552 1.1929 1.2591 1.2571 1.2797 1.2270 0.9366 0.9623 0.7068 0.7704 0.9551 0.7654 1.0884 0.8217 0.9187 1.0735 1.0108 1.0115 0.9885 1.1769 1.0416 1.1171 0.9660 0.9557 0.9914 0.9069 0.9367 0.8727 0.9169 0.6591 0.7093 0.9053 0.7298 0.9120 0.8996 0.9292 0.6669 0.8636 0.9713 0.8134 0.9979 0.9596 0.7966 1.1270 1.0807 1.2244 1.0969 1.1976 1.2075 1.1524 1.2312 1.1870 0.9696 0.9688 1.1358 1.0946 1.1993 1.2501 1.2907 1.2672 1.3092 1.2998 0.8587 0.8700 0.9963 0.9726 0.9363 1.0315 1.3090 1.3648 1.4135 1.1979 1.0806 1.1869 0.9131 0.7135 0.7692 0.7315 0.9541 1.0211 0.8955 0.6998 0.9580 0.6746 1.0249 0.8929 0.9546 0.7963 0.9793 0.9796 0.8732 0.9419 1.0636 1.0080 0.7478 0.8058 0.9197 0.8768 0.7509 0.9151 1.1274 1.0510 1.0706 1.0398 1.1903 1.0698 1.1401 1.0000 1.1566 1.3236 1.0590 1.2246 1.1107 1.1339 1.1517 1.1447 1.1399 1.1841 1.2997 1.2806 1.2957 1.2075 1.2425 1.2508 0.7626 0.7214 0.8721 0.9792 0.9920 0.8932 1.1095 1.2916 1.0081 0.9388 1.3777 0.8647 1.0172 0.8850 1.0203 0.8880 1.1086 1.2460 1.0620 1.1867 0.8481 0.9387 ethylmalonate 1.2312 1.2152 1.0595 0.8759 0.8621 0.7164 1.1842 1.2191 1.0872 0.7065 0.6814 1.3679 1.3163 1.3577 1.2294 1.1544 1.4587 0.7912 0.7517 0.8094 0.7360 0.8256 1.0580 1.0012 1.0884 0.5763 0.7113 1.0389 0.9752 1.4391 1.7459 1.8522 1.1742 1.0451 0.9910 1.5610 1.8102 1.7520 1.6360 1.0764 1.5600 1.4828 1.2846 1.4188 1.5692 1.3545 1.6990 0.9822 0.9727 0.8382 0.9920 1.2664 0.9204 2.9795 1.7686 2.1583 2.8355 2.2588 2.1955 2.4366 2.8550 2.9377 2.7140 2.5598 0.6853 0.8879 0.7510 0.7707 0.7561 1.0449 0.8199 0.7152 1.0491 1.0378 1.1115 0.5816 0.5853 0.5573 0.6310 0.7296 0.9271 1.0462 0.8367 0.7799 1.2091 1.0819 0.9366 0.9591 1.2846 1.0388 0.9993 1.1103 0.7192 0.6143 0.6416 0.6952 0.7017 1.0255 0.9237 1.1062 1.0007 1.2080 0.9774 0.7596 0.6923 0.8265 0.8052 0.7187 0.8563 1.2348 1.5921 1.2530 0.9167 0.9211 0.9517 0.8461 0.6408 0.5912 0.6393 1.6184 1.3896 1.3522 1.2160 1.5658 0.6363 0.9242 0.5934 0.8887 0.7511 0.7147 0.7595 0.6486 0.6783 0.9308 0.7070 0.4356 0.5186 0.7462 0.5899 0.4800 0.7697 3.4939 2.5520 2.9385 2.9491 4.2174 2.9774 2.4900 2.7469 3.6101 4.5455 3.1175 4.0491 0.9705 1.2367 1.2261 1.0636 1.1811 1.2848 0.9988 1.1770 1.1388 1.0660 1.0346 1.1513 0.8015 0.6698 0.9070 0.9287 0.8414 0.9360 1.3951 1.7866 1.2883 0.9340 1.8233 0.4868 0.5452 0.4939 0.8959 0.5402 0.8948 0.8962 0.8191 1.0000 0.7420 0.7649 fructose 0.8028 0.8892 0.7462 0.8385 0.7040 1.2608 1.0644 0.8647 1.4734 1.2032 0.8580 0.9319 0.9137 1.7345 1.2574 0.8730 1.3363 1.0979 1.1010 0.7851 0.3545 1.1735 0.5363 0.7624 0.7418 0.9923 0.8757 1.0816 0.8118 0.8199 1.7317 1.2133 1.4667 1.3003 0.8479 0.8573 0.4388 0.4281 1.5883 0.1951 0.6560 1.4152 0.8632 0.8769 0.6631 1.2883 0.6794 0.5949 1.8045 0.6774 0.9174 0.4958 2.7019 1.4687 1.1591 1.1700 1.1676 1.1689 1.7190 1.0864 1.0538 1.0957 1.1944 1.0066 1.0066 0.7996 0.7205 1.6499 0.8350 0.5106 0.4215 1.3822 0.5747 0.9040 1.0839 1.0197 0.3693 0.1642 0.3989 0.6014 1.0922 2.0809 2.9125 1.2756 0.6812 0.8465 0.8080 0.5784 0.8792 0.6146 0.9934 1.0271 0.9535 0.7436 0.7487 0.8393 0.9279 0.5674 1.3186 1.4073 1.0202 1.0981 0.9196 1.2902 1.7988 0.5573 0.6959 0.7379 0.3922 0.8752 0.6524 0.9559 2.0748 0.8386 0.9842 1.3345 2.4862 3.5862 3.7088 1.0077 0.6114 0.4079 0.2673 1.0670 0.7828 0.9934 1.3804 0.7870 1.2298 1.1836 0.6833 0.8811 1.8104 0.9812 1.1955 1.0000 1.6717 1.3175 2.9674 3.4385 2.0551 0.8867 1.2310 0.9434 1.4908 0.9809 2.7199 3.4333 2.5168 0.9453 1.1907 1.3251 1.9351 0.6670 0.9181 1.0330 1.0358 0.8467 0.9630 1.0973 0.8421 1.3540 1.1062 1.2576 1.2798 1.0782 0.6143 1.4658 0.8873 0.9612 1.4809 0.9404 0.8471 0.7910 1.1977 1.3922 1.7899 2.1125 1.9561 0.6640 2.2827 1.9284 1.6187 1.9665 1.4401 0.4883 1.3319 fumarate 1.2824 0.6905 0.8405 1.2967 0.9837 0.9072 1.2192 1.0468 1.0389 0.8477 0.7369 1.3205 1.3070 1.2970 1.1936 1.2678 1.7176 0.9737 0.6624 0.9473 0.6797 0.9698 0.8128 0.7028 0.8229 0.7408 0.7733 1.0151 0.6399 0.9380 1.1778 0.9751 0.9350 0.7902 0.7912 1.0146 0.8754 0.9593 0.8965 0.7490 0.9897 1.1496 0.9092 1.1525 1.2341 1.1009 1.1560 0.8128 0.9240 0.7387 0.8555 1.1039 0.8775 0.9033 0.8835 0.8341 0.9914 0.9898 0.8816 0.9501 1.0266 1.0588 1.0105 1.1273 1.3033 1.4207 1.2161 1.3295 1.6133 0.9207 0.4676 0.7695 1.1034 1.1651 1.0957 1.1686 1.2813 0.8649 1.0000 1.0209 1.2600 1.2020 1.0615 1.0259 1.2062 1.2376 1.2174 0.9796 0.9796 1.1309 1.0669 1.2217 1.0733 0.9895 1.1058 1.1166 1.0504 1.0788 1.0144 1.0766 1.1999 1.2517 1.0980 1.3386 1.2340 1.1509 1.7373 1.0351 1.1654 0.8819 0.8280 0.7926 0.7735 0.5453 0.8188 0.9133 1.0646 0.9333 1.2017 1.4408 1.6146 1.0665 1.2217 1.4738 0.6021 0.7709 0.7111 0.6490 0.6560 1.1942 1.2292 0.9253 0.8151 1.0535 1.2318 0.8029 0.7721 1.1346 1.0335 0.8945 1.1552 1.0285 1.0068 0.9498 0.7409 1.2385 1.0721 0.9245 0.8452 0.8505 1.2281 0.8944 0.8959 0.6181 0.8676 0.7657 0.8388 0.9266 0.8596 1.0434 1.2723 1.1373 1.1412 1.1026 0.8542 1.0655 1.0719 0.7570 1.0086 0.9157 0.8626 0.9465 0.8626 0.9689 0.8755 1.4118 0.9301 1.0430 0.9314 1.2330 1.0702 0.9176 1.1850 0.8903 0.9974 0.9063 0.9009 galactonate 0.0803 0.8451 0.0803 0.0803 0.0803 0.0803 0.1974 1.2167 0.0803 0.0803 0.0803 0.2508 0.1003 1.4060 0.2439 0.4062 1.0040 1.6503 0.0803 1.2855 0.3195 0.0803 0.0803 0.2253 1.7418 0.5557 0.0803 1.1107 0.0803 1.6644 0.0803 0.1897 0.0803 0.1274 0.0803 0.7182 1.3691 0.4999 1.6959 0.6648 0.2076 3.9279 0.9481 1.7516 0.2989 3.1984 2.1299 0.0803 0.0803 0.0803 0.0803 0.0803 0.6874 0.0803 0.0803 0.0803 0.0803 0.0803 0.0803 0.0803 0.8095 0.2664 0.3762 2.9905 2.9130 0.1114 0.0803 1.0180 0.0811 0.0803 0.0803 0.0803 1.0933 0.4482 1.7646 1.1410 0.5922 0.9960 1.4207 1.5769 0.0803 0.5830 0.5201 0.1163 0.9603 0.2233 2.4319 2.0794 1.4658 1.6776 1.0000 0.3178 0.2094 0.5552 0.9943 1.2191 1.0057 0.3804 3.4440 0.2153 1.2875 0.4239 1.7452 1.0717 1.2338 0.2114 0.3790 0.0803 1.6972 1.7972 3.7271 0.0803 0.1354 3.6343 0.0803 1.8738 1.0056 0.4426 0.0803 1.7990 0.4532 1.5628 0.8919 1.6048 0.2773 1.0937 0.0803 1.2900 0.0803 0.2621 0.3932 0.2012 0.0990 0.1775 0.8253 0.0803 0.0803 2.0796 0.0803 0.9697 0.9016 0.9718 0.3036 1.3242 0.3911 1.6721 0.0803 0.5569 0.0803 1.0097 0.3350 0.4827 0.0803 1.9856 1.7873 0.4972 2.1747 1.6415 1.8898 3.0478 0.0803 0.0803 1.3278 1.1215 0.5714 0.0803 0.6104 0.0803 0.3620 1.7616 1.1462 0.5511 1.0679 0.0803 0.0803 2.4378 0.0803 1.7556 1.5871 1.2816 0.4802 0.2507 1.3954 1.4413 1.1213 1.3086 0.0803 gentisate 1.1064 0.9225 0.5421 0.1949 0.8492 1.2213 0.5273 0.8849 0.6435 0.9794 1.1992 0.5902 1.1491 0.6870 1.7264 2.1071 0.6098 0.7323 0.7302 0.9563 1.0000 0.6450 0.7871 0.8903 0.9199 1.5806 0.6875 1.3553 0.4668 1.8550 2.2756 1.6840 0.1949 0.9977 1.3421 0.9244 1.3582 1.1389 0.4022 1.4709 0.6693 2.0749 0.9803 1.7243 0.4678 2.1306 0.4133 1.5261 0.6784 1.9820 1.3050 1.2306 0.1949 0.5047 0.3314 1.3138 0.8848 0.9046 0.7951 0.8656 1.0190 0.6221 1.3222 0.7693 0.4559 0.5500 0.1949 0.6945 0.1949 0.1949 1.4858 1.0197 0.3982 1.3850 0.7755 0.7922 1.4171 1.1578 0.8346 0.6223 0.5755 0.8957 0.8547 0.1949 0.7782 0.4741 0.1949 1.4644 1.0927 0.1949 0.9462 0.8388 2.0167 0.5392 1.0358 0.5497 0.6118 1.8358 1.5127 1.2697 0.8058 1.9732 1.2336 0.8068 1.0991 1.4816 0.8905 0.8474 1.2728 0.6732 1.0462 0.1949 0.9648 0.4811 0.4121 0.1949 0.7106 0.5410 0.6134 1.4935 1.6654 0.6867 1.0766 1.5781 0.3488 1.9557 1.1707 1.4549 0.7304 1.0569 0.5620 1.4465 0.9203 0.8384 0.1949 0.8608 0.1949 0.1949 1.4301 0.4065 0.4013 0.9391 1.9408 2.3774 1.8717 2.7256 2.4449 1.6371 1.3681 0.9421 1.1983 1.2104 1.7470 1.0241 1.7388 0.5186 1.4144 0.1949 1.0443 1.0346 0.9810 2.1690 1.4890 1.6168 1.5613 0.8953 0.5169 0.9177 1.7191 1.5996 0.2620 1.6612 2.2845 2.0555 2.0276 2.4291 0.7428 1.0697 1.5658 2.5581 1.2565 0.5849 0.1949 0.1949 1.5266 0.6443 1.0198 gluconate 0.9831 1.3301 1.5325 1.1397 1.3834 1.3637 0.7550 0.9048 0.9313 0.9080 1.0003 0.9098 1.0597 1.0055 0.9501 0.9331 1.0000 0.7208 0.8096 0.6108 0.5602 0.7689 0.6285 0.8379 1.0227 0.8817 0.8920 1.0206 0.9147 1.1795 1.3965 1.1039 1.0591 0.9940 0.9929 0.8011 0.9806 0.8843 0.9055 0.5890 1.0378 1.3267 1.1114 1.1042 1.0637 1.2293 1.2456 1.1946 1.6550 0.8405 1.0694 1.4064 0.8892 1.3366 1.0089 1.1657 1.3003 1.7369 1.0233 0.8962 1.0517 1.0680 1.0772 1.0247 1.2154 1.0676 1.0060 1.2196 1.0785 0.9800 0.7011 0.9731 1.0307 0.8861 1.1100 0.9849 0.8080 0.5752 0.8618 1.1914 0.6830 0.8138 0.7037 0.6151 0.7209 0.6666 1.2002 0.8961 0.9389 0.9802 1.1920 1.0244 0.9006 0.9162 0.8391 0.9794 0.9555 1.2754 1.5630 1.4214 1.1915 1.4860 1.3946 0.8646 0.9643 0.9308 0.8418 0.9713 0.9089 1.3481 1.6600 2.2360 2.0572 1.4304 1.8767 1.2432 0.8940 1.0826 1.1984 0.9351 0.9735 0.9364 0.6278 0.9926 0.4895 1.0366 0.9202 0.8661 0.7690 0.8335 1.0657 0.6704 1.0760 0.8663 0.9910 1.2962 1.4142 1.2957 1.3894 1.0580 1.3110 0.9319 0.8339 1.0114 1.0673 0.9823 0.8377 0.9234 0.9307 0.8284 0.8183 0.8371 1.0161 0.7402 0.8706 0.8311 0.8758 0.6952 0.8111 1.7657 1.4221 1.8894 1.6188 1.6188 1.7662 0.9236 0.8789 1.5751 1.2081 1.3289 1.2645 1.6762 1.5777 1.2457 1.7198 1.6063 0.8579 1.1169 1.0489 1.0402 0.9593 0.9695 0.8083 1.1720 1.0389 0.7397 0.8781 glucose 1.0639 1.0898 1.2383 1.3956 1.4667 1.2539 0.8753 0.9091 1.3614 1.2760 1.1051 0.8489 0.9392 0.8986 0.9094 0.9320 0.8884 1.0982 1.1135 1.0337 0.9509 1.2017 0.9349 1.0031 0.9197 1.1409 1.1675 1.1185 0.9226 0.9680 1.5346 0.9954 1.2145 1.1614 1.2160 0.8567 1.0000 0.9573 0.9790 0.9076 0.9446 1.0866 1.0461 1.0730 1.0722 1.0833 0.9660 0.8335 1.0800 1.0000 1.0442 0.8154 0.9293 1.1502 1.2604 1.2183 1.1062 1.6228 1.1811 1.0139 0.9677 1.0811 0.9657 1.0476 0.9411 0.9553 0.8686 0.8121 0.9105 0.9489 1.1394 1.0999 0.9823 1.0213 0.9788 0.9539 0.8690 0.8172 0.9255 0.9294 1.0019 0.9934 1.0568 0.9921 0.9004 0.8820 1.1626 1.1015 1.1277 0.9579 1.1364 1.1176 0.8865 1.0311 0.8445 0.8203 1.0374 1.0056 0.9985 1.0015 0.8868 1.0872 1.0286 0.9834 0.9663 0.8541 0.9331 0.8646 0.8306 0.8727 0.8881 1.4983 1.1580 1.2863 1.2476 0.8977 1.0289 0.9820 1.0582 0.9540 0.9683 0.9793 0.8784 0.9983 0.9969 1.0259 1.2052 1.0522 1.1603 1.0850 0.9850 0.9683 1.1565 0.9871 1.0403 1.2257 1.3083 1.0029 1.2744 1.2843 0.9956 1.1006 1.0027 0.9216 1.1167 0.9562 1.0520 1.2130 1.1130 1.2109 1.0279 1.0776 0.9298 0.8922 0.9271 0.9256 0.9237 0.8286 0.9077 0.9168 0.8467 0.9316 0.9624 0.9318 0.9212 1.0963 1.0409 1.3034 0.9147 0.9865 1.0504 1.2375 0.8820 1.0352 1.0963 0.9167 1.1357 1.0333 1.1733 0.9806 1.0630 0.8914 0.7736 1.0868 0.8907 0.8727 0.9733 glucuronate 0.7944 1.0000 0.6145 0.3658 0.4744 0.6964 1.2459 1.0951 1.0321 1.0626 1.0346 1.3344 1.1358 1.1526 1.0660 1.2508 1.1759 0.6397 0.8499 0.7912 0.5784 0.7766 0.7713 0.8787 0.8309 0.8570 0.8496 0.7909 0.7819 1.2104 1.6227 1.1012 0.7895 1.1835 0.7345 0.8751 0.8903 0.6170 0.3475 0.7793 0.7982 1.7853 1.6115 1.6260 1.7866 1.4307 1.1333 0.8597 1.4656 1.2411 1.2279 1.0074 0.9934 0.9420 0.7609 0.9832 1.0571 1.0918 1.3261 1.2571 1.2164 1.0023 1.1611 1.0173 2.1710 1.9042 3.9336 2.3840 1.5640 0.5728 1.0185 1.1861 0.9377 0.5173 0.3730 0.6081 0.6933 0.2261 0.9312 0.9450 1.2311 1.7846 1.1900 0.8737 1.5805 1.4691 1.1735 1.0104 1.4290 1.4383 1.3438 1.3226 0.9527 0.7820 0.9172 0.9679 1.1448 1.0291 1.2021 1.2090 1.1896 1.3775 1.0963 0.4971 0.5628 0.3661 0.5007 0.5500 0.2006 1.4869 0.9495 1.5492 0.8045 0.6318 0.6491 0.9406 0.6495 1.1510 0.7432 1.0765 1.1104 0.9136 0.5767 0.9575 0.7246 0.9977 0.8425 0.9380 1.0840 0.8356 0.9128 0.9385 0.9870 0.9930 0.8693 1.1956 1.2838 0.6916 0.7975 0.9302 0.7817 1.2311 1.3307 0.7491 1.2417 1.3384 0.4659 1.3866 1.1731 1.8622 1.7428 1.2308 1.7752 0.9020 0.9980 0.9966 1.0234 1.0020 0.9169 1.2141 1.4938 1.3807 1.2491 1.1920 1.5301 0.7241 0.6007 1.2432 0.8418 0.8792 0.5149 0.3782 0.4730 0.3992 0.2782 0.5573 0.9089 1.7043 0.5545 1.1078 1.2815 1.5856 1.0678 1.2104 1.3804 1.0891 0.9597 glutarate (C5-DC) 0.3298 0.1715 1.0020 0.9544 0.9753 0.1715 0.4811 0.9516 0.4875 0.5732 0.8006 2.2999 2.7439 4.0829 2.4399 1.5038 2.1565 1.3400 2.2102 2.8742 1.3810 2.2261 2.8998 1.0115 1.1901 1.6733 1.2440 1.7454 2.2969 0.9885 0.4739 0.6676 0.7639 0.9489 0.5536 0.7698 1.0884 1.6756 1.3492 0.1715 0.3162 1.2623 0.6531 1.0544 0.9838 0.9283 0.9109 0.5552 0.4612 1.1145 1.0034 1.0036 0.9871 0.4905 1.0160 1.2208 0.7083 0.4721 0.6563 0.7758 0.8827 0.8296 0.5769 1.3637 0.7512 0.5991 0.4355 0.5022 0.4239 0.3865 0.1715 0.1715 0.1715 2.3066 1.4527 1.5074 1.7133 1.9648 1.1543 1.1228 0.9856 1.2206 1.1854 1.3839 2.0739 1.3085 1.3998 1.9065 1.2419 0.9204 1.3823 0.9565 0.9885 0.4730 0.5014 1.4100 0.5584 0.4808 0.9358 1.4163 1.1035 1.2150 1.5920 0.8618 0.2467 0.6438 1.8992 0.8485 0.9980 0.1715 0.9052 0.9368 0.9946 0.8717 0.8230 2.2922 2.2982 0.8835 1.2307 0.6249 1.7306 2.2843 1.0631 2.2527 0.6430 0.3994 0.4341 0.5225 0.5101 0.8355 1.3893 1.6258 1.0115 1.8851 1.2175 0.1715 0.1715 0.7358 1.0547 0.1715 0.8306 0.1715 0.7448 0.5972 0.6270 0.6761 0.8533 3.0348 3.0804 2.5863 3.6934 4.1249 3.8581 1.3031 0.5849 0.5688 0.5757 0.5436 0.9071 5.2452 6.4830 6.2942 6.6562 6.6222 5.4528 0.9580 0.9559 0.5989 1.0354 1.9006 0.1715 0.7875 0.9536 1.2907 0.8063 1.6106 0.9306 0.8059 1.2605 1.1096 1.2963 1.3692 1.3668 0.5095 1.2570 0.9817 0.7897 glycerate 1.2691 1.1624 0.9972 1.0996 1.0123 1.0450 1.0494 1.0564 0.8612 1.0000 1.0428 0.6104 0.6194 0.5425 0.7486 0.5322 0.5814 0.9684 1.3041 0.9378 1.2473 0.9562 1.1462 0.9346 0.9466 0.8602 0.6619 0.8930 0.9355 1.1694 0.9608 1.2729 0.8648 1.0793 0.8977 1.0027 0.9948 1.0021 1.3312 0.9259 1.1120 1.4054 1.2614 1.2618 1.3289 1.3187 1.4135 1.0562 1.0129 0.8018 0.8951 1.0907 1.1091 0.7900 0.7890 0.7340 0.7957 0.6625 0.9905 1.1465 1.3153 1.1399 1.1180 0.9518 1.3864 1.3934 1.3095 1.3260 1.3166 0.8640 0.8167 0.7039 0.8835 0.8220 0.9186 1.5779 1.5010 1.2291 1.3565 1.4698 0.9399 0.7100 0.9101 0.9527 0.8894 0.7666 1.0473 0.9395 0.9463 1.0997 1.0322 1.0554 0.9806 1.0592 1.1798 1.1821 1.0696 1.0521 1.0784 1.1629 1.0886 1.1338 1.1175 1.0246 0.9447 1.2873 1.1276 1.1149 1.2637 1.1238 1.1935 1.0125 0.9258 0.8975 1.0677 1.3476 1.2821 1.2112 1.2607 0.7437 0.8474 0.9947 0.6638 0.7600 0.3752 0.4314 0.3766 0.4182 0.3581 0.9804 0.9500 0.8754 0.8660 1.0483 1.0461 0.3114 0.3395 0.3389 0.4102 0.4459 0.3694 1.1796 1.2019 1.1181 1.0914 1.3396 1.1893 0.5477 0.5417 0.5059 0.5927 0.6755 0.5363 1.0413 1.0053 1.0745 0.9947 1.0804 1.1327 1.2638 1.0427 1.0743 1.0095 1.1200 1.1402 0.7919 0.8511 0.8259 0.9386 0.9295 1.2097 0.8414 1.0547 1.0930 0.9148 1.2162 0.8892 0.8958 0.8457 1.0029 0.8942 0.5071 0.8698 0.5380 0.5953 0.6391 0.5547 glycerophosphoglycerol 1.7650 1.0843 0.1237 0.3777 0.1237 1.2717 1.3839 1.0576 1.4036 1.0489 1.2599 0.7437 0.5531 1.0021 0.6596 1.1300 1.1144 0.1237 0.1237 0.1237 1.0330 0.5713 1.0249 0.9172 0.7389 1.1955 0.6557 0.5366 1.0315 1.3318 1.0000 1.2323 0.1237 0.1237 0.1237 0.8196 1.4887 1.2273 0.8744 0.7856 1.5289 1.2656 0.8329 1.2513 1.4621 2.3243 0.5494 0.9514 1.0041 0.3375 0.1237 0.8953 0.3313 0.1237 0.1237 0.1237 0.4143 0.9027 0.5442 1.2117 1.0545 0.8767 1.2901 0.1237 0.1237 0.1237 0.1237 0.1237 0.6484 1.3054 1.1636 2.3334 1.5448 0.1237 1.0929 0.7551 2.0795 0.3373 1.1311 0.7326 0.3070 0.7111 1.0080 0.1237 1.4628 0.8946 0.7441 1.7364 1.7497 0.1237 0.1237 1.3619 0.8803 0.1237 0.9685 0.8050 0.6885 0.8612 1.0745 1.5276 0.5127 1.5247 1.0483 0.1237 1.0838 1.4783 0.1237 0.8902 1.1569 1.5730 1.6491 0.7417 1.9024 0.1237 1.0838 0.8381 0.1237 1.1274 0.3716 1.2170 2.2254 0.5514 0.4902 1.6850 0.2326 1.0481 0.5624 0.9385 1.0822 0.1237 0.2159 0.4989 0.4862 0.1237 0.1237 1.5049 0.9979 0.9416 0.1237 0.1237 0.8206 0.1237 0.5590 0.4795 0.1237 0.7550 0.6674 1.2780 0.5600 0.9132 1.9620 0.5796 1.3271 0.1237 0.7369 0.1237 1.0022 0.1237 0.5115 1.9155 1.3464 2.2344 1.6285 2.2386 1.8527 0.1237 0.1237 0.1237 0.8370 0.1237 0.5768 1.5573 1.6615 0.9713 0.7998 1.8238 0.1237 0.5846 0.1237 0.8443 0.4491 0.5498 0.1237 0.6565 1.3629 0.2181 0.4857 guanidinoacetate 1.1537 1.3905 1.1971 0.5016 0.2369 0.5258 1.0374 1.2398 0.7734 0.5469 0.4301 2.1190 2.7830 3.6025 2.4763 2.6878 2.6868 0.8778 1.3825 0.7582 2.4015 0.8820 2.0171 0.9821 1.0068 0.3943 0.6820 0.6880 0.9932 1.5633 1.1056 1.6544 0.6149 0.6364 0.4855 0.8391 1.2577 0.7966 0.7090 0.5119 0.9420 2.1888 2.0407 2.2105 2.0328 2.0768 2.0853 1.8439 1.0388 0.2369 0.4767 1.2623 0.4862 1.0661 0.2520 0.2588 0.9217 0.6498 1.2875 0.8077 1.9155 1.1375 2.2665 0.7884 0.9738 0.9384 0.9382 1.0087 1.0693 1.0403 0.2369 0.2505 0.7769 0.5440 1.3186 1.9775 1.8323 1.2818 1.4621 2.0418 0.2369 0.5219 0.2928 0.3463 0.9532 0.9097 1.4977 1.3932 1.6709 1.8774 1.7412 1.8355 1.1894 0.7021 0.8721 1.1520 0.8543 0.9068 0.8256 0.8335 0.8415 0.9522 0.7499 0.2369 0.5141 1.5133 0.3869 0.7980 1.6690 1.6242 1.8687 1.1681 0.5160 0.3916 0.6545 1.0954 0.2827 0.2369 0.4032 1.0634 0.9913 0.9913 1.1388 1.0510 0.4121 1.2727 0.8264 1.1621 0.3572 0.7388 1.5230 0.5957 1.3529 1.6070 0.8181 0.3827 0.8102 1.1461 0.6657 0.5024 0.8295 0.8572 0.8283 2.0125 1.4345 1.7336 0.6364 0.9535 0.6775 1.4840 1.7338 1.0282 1.7007 1.9526 2.1926 1.7383 1.7638 1.9587 1.9772 1.0994 1.0976 1.2246 1.1074 0.9931 1.0520 0.3682 0.2944 0.5056 1.0879 0.9052 0.7321 1.1244 1.7020 0.8604 0.6316 1.7837 0.7722 0.9718 0.5847 1.6071 0.5522 1.9966 1.1274 0.8105 1.3691 0.6384 0.5187 gulonate* 1.1033 1.1583 1.1127 0.5493 0.5493 0.8222 1.3687 1.3034 1.1306 0.8705 1.0568 1.0025 1.0907 0.9945 0.8854 0.9549 0.8770 0.5493 0.8389 0.5493 0.7982 0.5493 0.5493 1.0226 0.8847 0.8275 0.8626 0.9213 1.3970 1.2223 1.3177 1.2524 0.5493 1.0288 0.8362 0.7986 0.9289 1.1587 1.1153 0.7610 1.1237 1.8612 1.8097 1.6645 1.6570 1.6879 1.6041 1.1158 0.6244 0.6713 0.6746 0.7181 0.5493 0.9960 0.5493 0.7929 1.0831 0.7960 0.9603 1.0035 1.2940 1.0748 1.3928 0.9697 0.8738 0.9802 0.8858 0.9393 0.6988 1.1395 0.6754 0.7251 0.9261 0.5493 0.9168 1.2948 1.3154 0.6819 1.1087 1.1085 0.8197 0.9457 0.5970 0.6958 0.7231 0.7936 1.2477 1.4069 1.7319 2.4973 1.7215 1.6240 1.1539 0.8871 0.9123 1.1837 0.9965 1.3521 1.3362 1.4213 1.2874 1.3448 1.4226 0.5493 0.7394 0.9713 0.8679 0.8666 1.0871 1.6838 2.1775 0.9237 1.5591 0.5493 1.5736 1.7589 0.8243 0.9275 0.8148 1.1061 0.9275 1.0040 0.8152 0.9174 0.5583 0.9104 0.6846 0.9304 0.7135 0.5493 0.9679 0.7698 0.7864 0.8376 0.6986 0.7551 0.7866 1.3079 1.1854 0.5896 1.3823 0.9404 0.9328 1.0927 0.9628 1.3038 0.9975 1.0334 0.9858 1.2253 0.9429 0.8927 1.2551 0.9512 1.0510 0.5493 1.0640 0.9557 0.9268 1.6551 1.5574 1.5971 1.4567 1.4541 1.9027 0.5493 0.5493 0.8624 1.1772 1.1645 1.0551 1.3825 2.5173 1.6595 1.2017 2.6113 0.9873 1.0826 0.8897 1.3601 0.7949 1.4422 0.6929 1.9973 1.2296 0.7756 0.7639 heptenedioate (C7:1-DC)* 1.2748 1.3004 0.9958 0.8625 0.7153 0.3719 0.3719 0.6786 0.7783 0.6163 0.5938 1.5840 0.8875 1.2943 0.9930 0.7808 0.9535 0.6144 0.8493 0.4975 0.7148 0.7680 0.7668 1.2208 1.3884 0.6026 0.8517 1.5179 1.0717 1.2197 1.1720 1.2056 1.1509 0.6027 0.7651 1.5024 0.3719 1.1432 1.0862 0.3719 0.7472 1.1570 1.2224 1.4705 1.3400 1.0926 1.7774 0.6104 0.5054 0.3719 0.6499 0.6836 0.5365 1.1668 0.6014 0.7701 1.0526 0.5444 0.7397 0.7607 1.0049 0.8361 0.9951 0.7122 0.8688 0.9523 1.2588 1.2820 1.4088 0.9702 1.1698 0.3719 1.2406 0.8168 1.2245 1.2592 1.0892 0.9721 1.1578 0.9184 1.1686 0.8011 0.7389 1.1395 1.5281 1.3079 1.0221 0.8594 0.6883 1.4178 1.1858 1.3103 0.8203 0.8745 0.6030 0.9580 0.9596 0.7389 0.9480 0.9247 1.3220 1.0147 0.8971 1.0360 0.9954 0.9553 0.8133 0.9630 0.8179 0.8255 1.0591 1.1213 0.7951 0.9373 1.1018 1.1503 0.5984 0.6429 0.7981 1.5719 1.8959 1.2718 1.4473 1.8114 1.1020 1.5189 0.8280 1.1275 0.8968 0.7044 1.2971 0.5688 0.7250 1.1060 0.6974 0.9218 1.1472 1.1819 1.0042 0.7436 0.9905 0.6265 0.3719 0.6173 0.9493 1.0188 0.5898 0.6987 1.3899 1.5586 1.9093 1.0983 1.9242 0.9853 1.3846 1.0830 1.0735 1.4212 1.4459 1.3564 2.0730 1.3820 1.4034 1.3801 2.0163 0.7099 0.7588 0.7711 1.0248 0.8565 1.2885 1.4169 1.5175 1.9663 0.8326 1.8285 1.2545 0.8290 0.9136 1.4480 1.0682 0.8958 2.0795 0.8237 1.4979 1.0916 0.3719 homocitrulline 0.5759 0.1292 0.3277 1.1973 0.9551 0.7718 0.5971 0.4630 0.1292 1.4689 1.4544 0.7833 1.0529 0.8961 0.6338 1.2295 0.9485 1.2008 0.3926 0.5591 0.5246 1.4122 0.4773 0.3302 0.9252 0.8142 0.3001 1.1132 0.6073 0.6080 0.5997 0.8680 1.5453 1.0269 1.4043 0.2577 0.2397 0.4991 0.1292 0.1292 0.1292 0.8602 0.8499 1.3595 0.9358 0.9877 0.9960 0.7985 0.3655 0.8324 1.6616 0.9319 1.5189 0.3435 2.0294 1.5153 0.7978 0.3393 0.4463 1.0562 0.9502 1.4480 0.6185 0.8664 0.1292 0.4361 0.5747 0.6142 0.6517 0.1292 1.1520 0.4507 0.2583 1.2851 0.1292 1.1157 1.3508 1.0723 1.3350 1.4749 2.1674 0.3419 1.7740 2.4930 0.9001 0.3702 1.4030 1.7681 1.9022 1.6126 1.1783 1.9088 1.2577 1.3171 1.3622 1.5366 1.0498 1.0603 0.9179 1.5919 1.0493 1.3043 1.2864 1.2383 1.1010 0.8169 1.4953 0.6343 0.6877 1.5161 1.5192 1.3149 1.8033 2.0601 2.4569 0.4716 0.7986 0.8280 1.0567 0.3776 0.5783 0.5215 0.1292 0.3104 0.9373 0.4491 0.2606 0.4147 0.9069 1.5316 0.5575 1.2603 0.7698 0.9854 1.0506 0.4428 0.1292 0.1292 1.0040 0.5044 0.1292 1.0348 0.7126 0.4514 0.3217 0.7242 1.1842 1.1863 1.7288 0.8996 1.5968 1.3963 1.2243 0.6603 0.7543 0.9516 1.2870 1.0000 1.0421 1.7560 2.1315 2.4731 2.5942 1.8369 2.6207 2.5632 2.4428 0.8415 1.2959 1.0455 2.1610 0.9156 1.5660 2.4572 1.6320 1.7357 2.0879 0.1292 2.1864 0.5799 1.5074 0.5883 2.2627 0.3219 0.2960 1.1779 0.8872 hydantoin-5-propionate 0.2073 0.2670 0.6327 0.5203 0.3784 0.4437 0.9516 0.8166 0.8094 0.8756 1.0517 0.5208 0.8053 1.2320 0.8016 1.0470 0.7658 0.8760 0.8375 0.7307 0.3757 1.1817 0.7165 0.7348 1.2152 0.6931 0.6587 0.8847 0.6207 2.1182 2.7126 1.6397 1.7977 1.5568 1.4971 0.6280 0.4572 0.7259 0.8797 0.7395 0.4814 1.3613 1.2853 1.1784 1.6424 1.6007 1.8330 0.8849 0.7116 1.3636 1.0000 1.0680 1.2543 0.6795 1.3560 0.8470 0.7788 0.9765 0.8676 1.1018 0.9218 1.1070 0.7091 1.0254 0.2073 0.2073 0.2073 0.3268 0.2073 0.3159 0.2592 0.3284 0.2465 0.9036 0.6913 1.0985 1.1754 1.6354 1.0865 1.3546 1.4569 1.0983 1.8191 1.6924 1.3783 1.0699 2.3907 1.4564 2.2659 2.0205 1.2604 1.8521 1.1523 1.1323 0.8831 1.1631 1.2955 0.9107 0.6222 0.7411 1.0069 1.2208 0.8887 2.6476 3.2252 3.8772 2.9137 6.1497 3.0967 1.0249 1.0224 1.1658 0.9977 1.2919 0.9388 1.3258 1.4304 1.0308 1.0660 0.4648 0.9831 0.5881 0.3676 0.3255 1.2626 0.5149 0.7190 0.3513 1.0309 0.6831 1.4027 0.9874 1.8096 1.6690 0.9637 0.5096 0.4832 0.4759 0.7942 0.4704 0.5833 1.1886 1.0924 1.0300 1.1914 1.2799 1.0855 0.5757 0.7697 0.6913 0.7592 1.0071 0.6305 0.9229 1.2050 0.8807 1.3010 0.9931 1.1451 1.0303 0.9746 1.2483 1.0875 0.8370 1.1328 1.0586 1.2486 1.2266 0.7581 1.2715 0.5206 0.8994 1.0480 1.0417 0.8355 1.1372 1.0041 0.6778 0.8828 0.6171 0.8949 0.9034 2.1000 1.2520 0.9786 1.0211 0.8127 hypotaurine 0.4120 0.6782 0.3219 0.8350 0.4057 0.3764 1.1772 1.0400 1.1835 1.3035 1.3939 1.7363 1.2511 1.6896 1.9300 1.0956 1.5684 1.0280 1.5090 1.2279 0.3944 1.7894 1.6162 0.4432 1.0095 0.8546 0.5824 0.9905 0.6493 1.4535 1.5461 1.7106 0.4709 1.4071 1.5589 1.3422 1.4040 1.8764 0.4302 0.2761 1.1258 0.9743 0.8148 0.9831 1.0737 1.2397 0.8292 0.5001 1.1995 0.3787 0.8297 0.9421 0.9377 0.9762 1.6194 1.1977 1.4482 1.5477 0.7590 1.1799 1.1736 0.8579 1.1767 0.7333 0.5300 0.7776 1.0366 0.5248 0.5743 0.7884 1.3336 0.8002 0.9981 1.1080 0.9494 1.0019 0.6942 0.2883 0.8378 1.1392 1.6669 1.0108 1.1137 1.2428 1.0642 1.2890 0.6025 0.6496 0.6328 0.7644 0.9146 0.8232 2.0340 1.1145 1.2521 1.2127 1.9224 0.5401 0.7358 0.8312 0.6520 0.7771 0.6385 0.7986 0.5206 0.6394 0.8433 0.5945 0.6038 0.4533 0.5365 0.5777 0.8460 0.0972 0.7048 1.4751 1.1397 1.6278 1.0938 0.3502 0.5218 0.3813 0.0972 0.4810 0.4583 0.5267 0.3936 0.7035 0.5522 1.1150 1.0674 0.9867 1.3016 1.1288 1.0768 0.8146 1.1411 0.9379 1.6655 0.8652 0.7218 1.0156 1.1330 0.9510 1.3247 1.0956 1.0041 1.2167 1.5327 1.1127 1.8878 0.8972 1.2347 0.8452 1.0559 1.1659 1.1650 0.8517 1.1485 1.4405 1.5377 1.7128 1.5467 1.3867 0.9374 1.3610 0.9006 1.0133 1.1234 1.1088 0.5496 0.4615 0.4514 0.6724 0.7058 0.3316 0.9276 0.8717 0.8059 1.0308 0.6500 1.2849 1.3460 1.6416 1.8286 1.3646 1.1697 imidazole propionate 1.6051 1.9758 2.3114 1.7999 1.3282 2.1139 0.4125 0.4125 0.4125 0.4125 0.4125 2.0346 1.5661 2.2154 2.1585 1.5691 2.0669 0.5725 1.0302 1.3693 1.2166 1.1403 1.2888 1.5169 0.9855 0.8818 0.8392 0.7201 0.9075 1.2366 1.0670 1.2705 1.4404 1.2321 1.1869 0.4125 0.4125 0.4125 1.0482 0.4125 0.4125 1.3698 1.1933 0.8726 0.4180 1.3085 0.5025 0.7295 0.5989 0.4125 0.6142 0.7488 1.0106 0.4125 0.4125 0.4125 0.4125 0.4125 1.2501 1.5493 1.6650 1.3382 2.0287 1.0745 0.4125 0.7342 0.4125 0.4125 0.7273 0.4125 0.4125 1.0673 0.4125 0.4125 0.4125 0.4125 0.8176 0.4125 0.4125 0.8670 1.0179 0.6904 0.8202 0.7442 1.3951 1.0000 1.0873 1.2398 0.8037 1.0214 1.3691 1.2235 0.4125 0.4125 0.4225 0.6301 0.6148 0.7384 0.6265 0.8647 0.9391 0.7508 0.7672 0.4125 0.4125 0.4125 0.5178 0.4125 1.1103 1.5007 0.9680 0.4125 0.8431 0.5700 0.7284 0.7265 0.5757 0.4125 0.4125 0.6381 0.4125 0.8340 0.5853 0.4125 0.6235 1.0000 1.6847 0.6398 0.8281 0.7001 0.7999 0.4125 0.4125 0.9268 1.0217 0.4125 0.4125 0.4125 0.4125 0.4125 0.4125 0.9054 0.4125 0.6974 0.6490 0.6447 0.4125 2.5470 2.5719 3.0393 4.9026 2.3682 3.0523 1.1078 1.0889 0.7111 0.9135 0.8811 1.0000 3.5681 1.1388 1.0620 0.8997 1.0546 1.1045 0.9407 0.8611 0.4125 1.1319 1.0232 1.5951 0.4125 1.0194 0.4125 0.9370 0.4125 0.4125 0.5288 0.4125 0.4125 0.4125 0.4125 0.7924 0.5655 0.6406 0.5296 0.9191 lactate 0.9270 0.8114 0.8037 0.8056 0.7378 0.7412 1.5920 1.3325 1.1811 1.0499 0.9038 1.0306 1.3357 1.6226 1.8216 1.5817 1.6231 1.0065 0.8769 0.8917 1.2742 0.8505 1.3138 1.0323 0.9650 1.8254 1.2335 1.8269 0.8962 1.2814 1.7125 1.5803 0.9935 0.8719 0.9593 1.1882 1.4742 1.3728 1.3398 1.2035 1.3784 1.5967 1.2637 1.5520 1.5146 1.6670 1.1040 0.9945 1.0415 0.7009 0.7009 1.0327 0.8077 1.0473 0.7445 0.6448 1.2295 1.6137 1.0957 0.8797 1.2980 0.8492 1.3522 0.9308 1.8854 1.4631 1.6288 0.8898 1.1049 0.6617 0.8230 0.7927 0.8846 0.9851 0.8054 0.7614 1.0000 0.7719 0.7414 0.8455 0.7143 1.0458 0.7438 0.8291 0.9313 0.9897 0.9774 1.0288 1.1216 0.9915 1.1509 1.4801 1.0510 0.8121 0.9910 1.0090 0.8342 1.2642 0.9483 1.1505 0.7507 1.1911 0.9736 1.7156 0.9234 1.2400 1.1700 1.1980 2.1478 0.9816 1.2467 1.0183 0.5454 0.8052 0.5502 0.7868 0.6695 0.7130 0.6118 0.7275 1.0650 0.8119 0.9617 0.8865 0.9375 1.0956 0.8855 1.0843 0.6783 0.9289 1.1629 0.6654 0.6953 0.9389 0.8798 0.7346 0.9590 1.2439 0.9846 1.5391 1.0430 1.2296 1.2578 1.4490 0.8968 1.4690 0.9775 1.0510 0.7900 0.9402 1.2644 1.0394 1.1158 0.8635 1.2866 1.0447 1.0071 0.8472 1.1254 1.0697 0.7697 0.9260 1.1749 0.9318 1.0835 0.8039 0.9498 1.0296 0.9415 1.0745 0.8854 1.7612 1.3133 0.8101 0.7992 1.0763 0.7585 1.8258 0.7235 1.1925 0.8563 1.0503 1.0706 1.0756 0.8227 0.7597 0.8701 maleate 0.8638 1.0090 0.6843 0.7501 0.7649 0.7145 0.8931 1.0698 0.9392 0.5872 0.9444 1.1181 2.8489 1.2561 1.2530 0.9737 1.8251 0.6807 0.5652 0.8488 0.4701 0.7118 0.8091 1.0755 0.8535 0.7079 0.8350 1.1845 0.9991 0.9264 1.1172 1.2349 0.9471 0.7650 0.7286 1.3007 1.5232 1.3772 1.4491 1.1317 1.1327 1.3096 1.1335 0.9673 1.2770 1.2158 1.0000 0.9492 0.9604 0.9042 1.1169 1.1995 0.8559 1.0690 0.7671 0.9308 1.0444 0.7878 1.1114 0.9995 0.9954 1.1735 1.1250 1.0005 1.1991 1.7328 1.4630 2.3467 1.5532 1.2729 1.0694 0.7906 1.7822 1.2196 1.3584 1.2393 0.7833 1.1633 1.0318 1.4920 0.7922 0.9203 0.7837 0.9161 1.6302 1.4868 0.9976 1.7765 1.0024 1.2608 0.9918 1.2524 0.8482 0.5912 0.8623 0.9328 0.8378 0.9615 1.2562 1.2307 1.2508 1.1119 1.2197 0.8080 0.9592 0.9839 1.0138 0.7583 0.7922 1.2128 1.2489 0.7750 0.8666 0.8855 0.9689 1.6570 0.9513 0.7015 0.9724 1.4192 1.3119 1.2381 2.6171 1.5286 0.7402 1.2261 0.8702 1.1188 0.8569 0.8565 0.9782 1.0030 0.5650 1.0167 1.2373 0.9371 1.1068 1.1364 1.4012 0.9972 1.3322 1.0237 0.8501 0.7479 0.9264 1.1645 1.0639 0.9157 0.9760 1.3994 1.7229 1.0804 1.4801 0.9257 0.9552 0.9608 0.9533 1.0567 1.1077 1.1820 1.1613 1.2195 1.1835 1.1235 1.0461 0.8799 0.8989 0.8662 0.8513 0.9650 0.5229 1.0199 1.0257 0.9437 0.6391 0.9724 0.6337 0.6372 0.5565 1.0621 0.8347 0.8308 1.2447 0.5723 1.0050 0.7662 1.2813 maltose 0.5636 1.4961 0.9187 1.0912 0.7817 0.8773 1.7893 2.8205 2.5468 1.7879 1.7851 3.4582 3.9720 3.9641 5.4974 2.0397 3.2103 1.0644 1.4753 1.4426 0.3099 1.6011 1.1822 0.5570 1.3863 1.0186 0.7239 1.2455 0.6842 2.0420 1.8064 2.0679 0.1989 1.6427 1.2485 1.4871 2.5217 2.1825 0.1540 0.1318 0.8631 0.9538 0.6658 0.6016 0.8701 0.5969 0.2201 0.8253 3.6741 0.7866 1.6529 2.2403 1.5279 1.7471 3.0060 1.8031 1.6533 1.4219 0.6656 1.1676 0.9944 0.8833 1.0056 0.7855 0.8562 2.0874 1.3124 0.6310 0.6546 0.4932 0.9488 0.6379 1.1874 1.1561 0.8184 0.5445 0.3607 0.1318 0.1714 1.0879 1.4878 1.4689 2.2433 2.6549 1.4508 1.7178 0.7294 0.7026 0.9087 0.8316 1.3854 0.7483 1.4236 0.8785 0.7341 1.0895 2.1788 0.4686 0.8058 1.1612 0.9862 1.7045 0.7196 0.7321 0.6984 0.7478 0.5142 0.9562 0.7163 0.6941 0.6689 1.0174 1.2459 0.1318 0.5609 1.0550 0.9826 1.1527 1.4497 0.7031 0.9769 0.7782 0.1318 0.7918 0.1942 0.7849 0.4281 0.6079 0.4755 0.5198 0.4280 0.4849 0.7745 0.5602 1.0566 1.0918 1.0536 0.7839 0.9742 0.4791 0.8122 0.3910 0.8382 0.5922 0.9716 0.4422 0.8261 2.4030 3.0328 2.7879 3.0639 1.4707 2.3577 0.6173 1.1773 1.3216 1.0193 0.8086 1.0138 2.2778 2.7337 2.5184 1.9366 1.7235 1.8135 1.1808 0.4159 1.0521 0.5184 1.4454 0.6370 1.2825 1.1652 0.7390 0.7728 0.8405 0.4361 0.6542 0.3538 0.6796 0.5102 1.3200 1.1265 1.6931 2.8731 1.4191 1.5623 mannitol/sorbitol 0.8236 0.7273 0.8600 0.7930 0.8009 2.4097 1.1458 1.1152 1.2332 1.1492 2.9765 1.0167 1.0884 1.1533 1.0325 1.7890 1.0415 0.8857 0.8204 1.3161 0.5630 0.9434 0.7865 0.8102 0.9170 1.4817 0.7667 0.8242 0.9301 1.3242 1.2654 1.0979 0.8044 2.5604 0.9127 0.6048 0.8010 0.8888 0.7374 1.4634 0.7847 1.2143 1.0033 1.0217 0.9916 2.9686 0.7032 1.0085 1.1009 1.2917 0.8833 0.9371 1.0016 1.0906 1.3113 1.8619 0.9971 1.3430 1.7673 2.9497 1.1232 1.0389 1.2212 0.9253 1.0364 1.1685 0.8603 1.2628 0.9234 0.8140 2.0175 0.8408 0.8187 4.5198 0.8777 0.9767 0.9792 0.7653 0.8884 1.1420 4.7610 5.9681 5.8251 1.9515 1.0627 0.9049 1.1564 1.1206 2.8885 1.1511 1.1597 1.1662 1.0511 0.8147 1.1420 0.9611 0.9097 0.9995 1.1654 1.2223 1.1191 1.2928 1.1147 0.7467 1.3779 0.8007 0.9038 0.7146 0.8213 1.2216 0.9543 1.2460 1.5720 0.9964 0.9877 1.0073 0.9256 1.4040 0.9059 0.8520 2.2419 0.8716 0.8053 0.9998 0.7922 1.0741 0.9154 0.8251 0.9560 0.9052 0.7632 0.9436 0.8377 0.8317 0.8372 1.3503 0.6921 0.9805 0.9339 0.7188 0.8461 0.7131 1.0223 0.7548 0.7969 0.9052 0.7738 2.3425 1.2276 1.1793 1.5037 1.1877 1.3190 0.7042 1.0002 0.9335 2.5099 0.7339 0.9424 1.1560 0.9502 2.5215 1.1539 1.2196 1.0767 0.7831 0.8066 1.1431 0.9797 1.0439 1.1328 1.3688 1.3980 1.2900 2.0553 1.6108 0.7203 0.8818 0.9205 0.6492 1.4103 0.8951 0.8995 1.1589 1.0000 0.7466 0.8028 mannonate* 1.2587 1.0345 1.1714 2.1263 1.8254 0.9469 0.9407 0.8936 1.0505 1.0633 0.7650 0.6524 0.5976 0.5482 0.6048 0.5958 0.6592 1.1613 0.7588 1.0428 0.7730 1.3416 1.5319 0.8290 1.0201 0.7574 0.8392 1.0520 2.0024 1.0247 1.3349 1.1623 1.7898 0.7915 1.0924 1.3714 1.1006 1.0536 0.9006 0.6930 0.9072 1.1384 1.1323 1.1493 1.2099 1.1281 1.3601 0.9446 1.0784 0.7110 1.1589 1.0985 1.7354 1.0999 1.3239 0.8572 0.9822 0.9677 1.0866 0.9209 1.0457 1.1302 0.9313 1.1098 0.8117 0.7324 0.7708 0.8373 0.8479 0.9383 0.8652 0.7478 0.9753 1.8293 0.8547 0.8732 0.7903 0.7129 0.8361 0.9388 0.8873 0.8615 0.7072 1.0767 0.9310 0.8455 1.5546 1.2292 1.1203 3.7107 1.3051 1.4549 0.7998 0.9799 0.7377 0.8524 0.7746 0.9125 1.0827 1.0886 1.0746 1.0178 1.0342 0.7075 0.5296 0.6435 0.7526 0.6319 0.6058 1.0276 1.1879 1.2879 1.0355 2.7978 1.3651 2.6060 0.9969 0.7777 1.0000 0.5963 0.6380 0.8600 0.4665 0.6566 1.0218 0.9221 0.9183 0.8572 0.7769 1.1752 0.8004 0.5441 0.9108 0.9028 0.9405 1.0627 1.1478 0.9603 1.2007 1.4027 1.0817 0.8692 0.7528 0.8587 0.9370 0.8941 0.8479 0.9034 1.0643 1.0000 1.1150 1.1655 1.0211 1.0364 0.8548 1.5194 0.7649 0.9330 1.0357 1.2476 1.1581 1.1360 1.2236 1.2331 1.9083 1.0607 1.0674 0.7896 0.7774 0.7201 1.4906 1.2707 1.4916 1.5373 1.1358 1.4727 1.2095 0.9836 1.1334 1.0477 0.8461 0.8908 1.2036 2.9088 1.0907 0.9666 0.8271 mannose 1.2034 1.1360 1.2337 2.0430 1.8951 1.1200 1.0202 0.8884 1.1568 1.5716 1.1628 0.5603 0.6050 0.4162 0.6207 0.5774 0.4351 1.4399 0.9798 1.1031 0.8449 1.4287 0.9258 1.0050 1.2002 1.2101 1.0013 1.5538 0.9987 1.1516 1.4043 1.2057 1.8352 1.4101 1.6691 1.0220 0.8241 1.0338 0.8944 0.8647 0.8673 0.9874 0.9307 1.1106 1.1556 1.0502 1.0000 0.7670 0.8244 1.2822 1.4393 0.7123 1.3388 1.5328 1.8843 1.7330 1.5055 1.4352 1.1197 1.1945 0.9258 1.4726 0.9685 1.3794 0.7646 0.7965 0.8721 0.7569 0.9810 1.1793 1.6012 1.2396 0.9930 1.4224 0.9673 0.8491 0.7351 0.7959 0.7814 0.8087 1.3032 0.7281 0.9017 1.4710 0.9034 0.7069 1.3291 1.0035 1.0562 1.1690 1.1697 1.1460 0.6509 0.9876 0.8426 0.5410 0.7307 0.9712 0.9517 0.9837 0.8022 1.0369 1.1376 0.9608 0.6409 0.6536 0.9795 0.5623 0.5650 0.5844 0.6980 1.0522 0.9037 1.7098 1.2918 0.6806 1.2280 0.9563 1.1563 0.8622 0.9078 0.9347 0.8488 0.8474 1.7147 1.1884 1.2554 1.2345 1.6302 1.2016 0.9879 0.9965 0.9779 0.9769 1.2339 1.5050 1.1469 1.0288 1.7983 1.6989 1.1393 1.1938 0.9272 0.7522 1.0463 0.8754 1.0403 1.0149 1.1080 0.9101 0.7225 1.2002 0.6952 1.0556 0.8949 1.0191 0.9697 0.9817 0.9937 0.9538 0.9299 0.8039 0.8977 0.9732 0.9096 1.3552 1.2859 0.9653 0.9683 0.8790 1.3284 0.8895 0.6962 1.4456 1.1883 0.8811 1.8150 0.9817 1.7528 1.2836 1.2798 0.7916 1.0394 0.9046 0.8904 1.2875 1.1329 methylmalonate (MMA) 0.0167 0.9767 0.8491 0.0167 0.0167 0.0167 1.0320 1.0994 1.0784 0.9550 1.0335 0.6514 0.7562 0.3965 0.6069 0.8415 0.8294 0.4746 0.8066 0.6554 0.5197 0.5890 0.9554 0.7174 0.7353 0.9252 0.8577 0.5499 0.4738 1.5608 1.6228 1.7639 0.9464 1.4959 1.3888 0.0167 0.0167 0.0167 0.0167 0.0167 0.0167 1.8891 1.7814 1.7241 1.8820 1.8580 1.4130 1.2330 1.2350 0.6667 0.7770 1.2642 0.6482 0.9600 0.6957 0.5773 0.8931 0.9273 1.9101 2.0409 2.1532 2.3172 2.4702 1.6955 0.7755 0.8266 0.8357 0.8224 0.6559 0.0167 0.9501 0.0167 0.0167 1.0140 0.0167 0.6235 0.7729 1.0281 0.8768 0.9133 0.9417 1.3728 1.1443 0.9594 1.3973 1.0851 1.0674 0.9403 1.2159 1.0140 1.1486 1.0046 1.3074 0.9591 1.2861 1.0890 1.2209 2.0268 2.2036 2.3257 2.0423 2.9224 3.0979 0.0167 0.0167 0.0167 0.5055 0.0167 0.0167 1.0979 1.1209 1.1634 0.9961 1.0591 0.9244 0.8011 0.6587 0.7699 0.8552 1.2231 1.4655 1.4930 0.9954 1.2297 0.8767 0.7646 0.7785 0.9602 0.9936 0.5494 0.8562 0.6364 0.6777 0.7221 0.6145 0.0167 0.0167 0.6499 0.5083 0.0167 0.8009 1.3078 1.2864 1.1783 1.3940 1.5876 1.1224 1.0039 0.8632 1.0614 1.2184 0.9165 1.3465 1.3216 1.2929 1.2836 1.1432 1.2082 1.3567 1.2733 1.0021 1.2523 0.9959 0.9979 1.3228 0.4900 0.4728 0.8354 1.1825 1.0404 0.0167 0.4810 0.0167 0.0167 0.0167 0.6204 1.0730 1.2193 0.9619 1.5215 1.1797 0.6745 1.0176 1.0048 0.9162 0.9758 0.8128 methylsuccinate 1.2835 0.8042 0.5517 1.0810 0.7667 0.9842 0.9184 0.8329 0.7171 0.7448 0.9479 1.1045 1.2313 1.2703 1.1637 0.9477 1.3345 0.8312 0.7058 0.5994 1.1134 0.8887 0.9346 1.0961 1.0564 0.8333 0.6749 1.2349 1.2455 1.5980 0.7909 1.0792 0.8510 1.4799 1.1944 0.7509 1.1684 1.0860 1.2129 1.4492 1.2210 0.9814 0.7752 0.9721 0.9903 1.0204 0.9450 1.1166 0.8829 1.3718 1.1206 1.0784 1.3126 1.6051 1.4024 1.5179 1.4309 1.0901 1.2661 1.4688 1.1723 1.4469 1.4249 0.8438 0.8791 0.9413 0.9733 0.9521 1.0021 0.9652 1.3964 0.9138 0.7824 1.1602 0.9945 0.9114 1.3679 0.9495 1.1304 1.1316 1.0358 1.3980 0.9213 0.8559 1.5411 1.0000 1.1612 1.4214 1.6882 1.2305 1.2331 1.3289 0.8036 0.7958 0.7673 1.3068 0.7241 1.0427 0.8493 0.8613 0.9762 0.9271 1.0470 1.2072 1.1593 0.8773 1.2205 0.9724 1.4073 0.8769 1.0594 0.9707 0.9221 0.9183 1.0281 1.0134 0.9810 1.1293 0.8974 1.1801 1.0640 1.0734 1.1969 0.9979 0.8946 0.9317 1.0594 1.1736 1.0099 1.0022 0.9876 0.9854 0.8926 0.9923 1.0959 0.8376 0.7576 0.9261 0.8975 0.8230 0.7875 1.1692 1.3075 1.7049 1.6002 1.0783 1.7591 1.2692 1.5346 1.3189 1.2930 1.6199 1.4845 1.3773 1.0066 0.7137 0.9387 0.8538 0.9588 0.8799 0.8001 0.9901 0.9004 1.3995 0.9850 0.8523 0.9526 0.7909 0.7895 1.4620 0.8594 0.5963 1.0801 0.8933 0.8698 0.8867 0.8388 0.8106 0.9351 1.4530 1.1533 0.8642 0.9206 0.6125 1.0260 0.9136 1.1268 myo-inositol 1.8023 0.8636 0.7947 1.6280 1.6570 1.7235 1.1139 1.0000 1.1645 0.9436 1.1882 0.9553 0.8786 0.7788 0.8107 0.7424 0.8186 1.0034 0.9713 0.8609 0.7191 1.0481 1.0621 0.8422 0.8955 0.8344 0.7309 0.9740 0.9327 1.1101 1.1818 1.0126 0.6427 1.0960 0.8353 2.4819 2.2555 1.9061 1.7432 1.1556 2.2803 1.2104 1.2667 1.2196 1.3695 1.3615 1.5362 0.5933 0.8268 0.5103 0.7319 0.8041 0.7870 1.0065 0.7445 0.8899 1.0850 1.1110 1.0260 1.0773 1.0832 0.9188 1.1028 0.9253 0.7928 0.9001 0.8641 0.7730 0.6547 2.4337 0.7217 1.4822 2.3055 0.9381 2.3121 1.2467 1.1431 0.6206 1.1312 1.3708 0.8949 0.7694 0.6640 0.7184 0.8125 0.7506 1.4875 1.1405 1.1496 1.2622 1.4313 1.4645 1.1723 0.9718 1.0770 1.1382 1.1646 1.0278 1.2881 1.1941 1.1125 1.2154 1.1245 2.2051 2.2524 2.2769 0.7398 2.4227 1.5218 0.9183 1.3600 1.1389 1.2441 0.6051 1.0395 0.9320 0.6135 0.9641 0.7257 0.7905 0.9856 0.9422 0.6470 0.9578 0.5949 0.9737 0.8193 0.8792 0.8656 0.8934 1.2958 0.9896 1.2817 1.2949 0.9816 1.0389 0.8688 1.3872 0.7496 1.1855 0.7804 0.7779 0.8730 0.9039 0.8636 0.9488 0.8532 1.0101 0.9092 1.0107 1.0789 0.9510 1.0079 0.9169 1.0031 0.9998 0.9193 0.9690 1.0002 1.2960 1.3378 1.3544 1.3775 1.2901 1.4552 0.9058 0.7119 0.8825 0.9517 1.1766 2.7806 1.7739 2.8444 1.9415 1.8957 2.5406 0.8300 1.0014 0.8751 1.2320 0.8966 0.7461 0.7309 0.6778 0.8785 0.6786 0.8324 N6-acetyllysine 1.0796 1.0538 0.7309 0.5294 0.7494 0.9100 0.8975 1.1742 0.8512 0.6801 0.9938 1.0411 1.1381 1.1247 0.9152 1.1402 1.1448 0.4207 0.6753 0.6157 0.8916 0.6349 0.6888 1.0040 0.9862 0.7362 0.7509 0.9468 0.9960 1.3196 0.8114 1.1059 0.5616 0.7753 0.5796 1.3383 1.4505 1.2578 1.3581 1.0365 1.1531 1.0124 1.1522 1.1725 0.8634 1.3499 1.2023 0.7704 0.4206 0.4950 0.4365 1.0185 0.5159 1.0919 0.4941 0.7132 1.1029 0.6178 0.9013 0.7744 1.2171 1.0052 1.2694 0.7406 0.9322 0.9553 0.8759 0.8519 0.8164 1.2036 1.1134 0.8674 1.4698 0.8981 1.3965 1.1121 0.9495 0.7924 1.0946 1.0654 0.7538 0.9175 0.8761 0.8730 1.3979 1.4101 1.0901 0.9046 1.0283 1.2621 1.0091 0.9412 1.1633 0.9505 0.8233 1.1800 0.7742 1.1913 1.3202 1.1362 1.0925 1.3283 1.1927 0.7876 0.8969 1.1985 0.6904 0.8183 1.2116 1.3359 1.1343 0.9890 0.6698 0.6908 0.7220 1.4715 0.7646 0.8357 0.6344 1.0497 1.1058 0.9291 0.8572 1.0712 0.6159 1.1726 0.9569 1.1673 0.8800 0.8901 1.0420 0.7737 1.0049 1.1751 1.0381 1.0287 0.8852 1.0701 1.0178 0.9364 1.2019 0.6829 0.7582 1.0260 0.6332 0.9444 1.0012 1.0000 0.9282 0.8827 1.5070 1.1063 1.4012 1.1740 1.2365 0.9951 1.1028 0.8784 1.0442 1.4444 1.1698 1.5777 1.4061 1.3645 1.6378 0.7939 0.6804 1.0598 1.5068 1.5106 1.0701 1.0047 1.9384 1.5393 1.1398 1.9491 0.4457 0.6132 0.3898 0.7923 0.5123 1.1315 0.7663 0.8215 1.0999 0.7551 0.5708 N-acetylalanine 1.2510 0.8463 1.0183 0.6453 0.8698 1.0269 1.5567 1.0617 0.7789 0.9817 1.2169 0.9848 1.4728 1.0547 0.9402 1.4514 1.0348 0.8796 0.5788 0.6097 0.6395 0.5740 1.1292 0.9281 0.9156 0.7644 0.8953 0.9594 1.1681 0.9131 1.2466 1.3731 0.9980 0.6696 0.6952 1.3789 1.4599 1.5128 1.4569 0.8220 0.9271 1.5103 1.6036 1.5446 1.5238 0.9385 0.8899 1.2511 0.6092 0.8899 0.5579 0.8492 0.9222 1.2852 0.6569 1.1465 0.9252 1.1694 0.9477 0.9603 1.2296 0.8853 1.1508 0.8738 1.2988 0.8753 0.7931 0.6463 1.3652 0.9249 0.9190 1.1464 0.8784 1.2808 1.0670 0.8051 1.1448 1.0537 0.7397 0.8854 0.8132 1.2382 0.8037 0.9677 1.0111 0.9392 1.5495 0.9946 0.9678 1.0946 1.0872 1.5731 1.0397 0.9107 0.8255 1.2227 0.9185 0.9190 0.9882 0.9850 0.9035 1.5691 1.0083 1.1271 1.0000 0.8483 1.2064 1.2647 0.8682 1.5080 1.0544 0.8630 0.7935 1.1174 0.7977 1.2082 0.9458 0.8795 0.6488 0.9598 1.4550 0.8549 1.2624 1.3419 0.8315 1.1388 1.0667 1.0494 0.8949 1.1532 1.1778 0.9657 0.6909 1.1776 1.0173 0.7487 0.7941 1.2579 1.1584 1.0679 1.3190 0.6712 1.0358 0.8451 0.6745 1.3445 0.6548 1.5012 0.9635 1.5501 1.1330 1.5022 1.2617 0.7064 1.1868 1.2448 0.7550 1.0020 0.9190 1.1467 1.1092 1.1109 1.2197 1.1250 1.2208 1.1223 1.0667 1.1788 1.0914 0.9797 0.6537 0.7735 0.9471 0.8670 0.6967 1.5703 1.0572 1.1461 0.7647 1.4293 0.6902 1.3052 0.8617 1.0896 1.3495 0.7305 0.9455 N-acetyl-beta-alanine 0.5100 0.5053 0.8451 1.0525 1.0176 0.8377 1.0280 0.5547 0.8638 1.0546 1.0637 0.9576 1.1630 0.7622 0.8250 0.9399 0.8763 1.2911 1.1835 1.2762 0.6044 0.9327 1.1724 0.9782 0.8705 0.6800 0.6657 1.1515 0.7912 0.8217 1.0073 0.8387 1.4386 0.9683 1.1332 0.9443 1.0806 1.1660 1.4862 1.0705 1.0181 1.5739 1.8524 1.4907 1.4562 1.3612 1.2430 0.9310 0.6748 0.9682 1.0497 0.6496 1.1306 0.9927 0.9843 0.8072 0.8262 0.8147 0.9955 1.0045 0.8997 1.0865 1.0893 1.1083 0.7811 0.7882 0.7456 0.5952 1.1698 0.3292 0.6514 0.5735 0.5611 1.1071 0.5130 0.3871 0.6929 0.7063 0.5827 1.0750 1.4363 0.4609 1.6028 1.7245 1.0689 1.1542 1.1097 1.0912 0.9740 0.8830 0.9697 1.3471 1.1774 0.9395 1.1744 0.9938 0.7560 1.0294 1.1355 0.9214 0.7632 1.6264 1.1536 1.2618 1.3044 0.9647 1.4341 1.0459 0.9651 0.9739 1.2801 0.6496 1.1969 0.7013 0.7278 0.6169 0.3292 0.6599 0.4250 0.6716 0.6665 0.5490 0.4136 0.7946 1.0122 0.6506 0.7240 0.7487 0.8325 1.4751 0.9497 1.0145 0.9409 1.0937 1.2558 0.6286 0.5082 1.0199 0.9605 0.9104 0.9824 1.2762 0.9726 0.8267 0.9234 1.0782 1.1291 1.1679 0.4669 0.8509 0.9595 1.2146 0.7942 1.1371 1.3243 1.2173 1.3459 1.1290 1.5776 1.2687 1.0060 1.4570 1.2937 1.4618 1.2486 1.2926 1.3000 1.1697 0.9430 0.8719 1.1397 0.6083 1.2208 0.8371 1.2102 1.2537 1.6362 1.3027 1.3237 1.3310 1.0683 1.3457 1.0775 1.2796 1.1860 0.8434 0.8923 N-acetylglutamate 0.0871 0.0871 0.7909 0.0871 0.2018 0.0871 1.0148 1.1951 0.9053 0.7008 1.0907 0.7548 0.8391 1.5054 1.0000 1.1872 0.9427 0.5089 0.6256 0.6182 0.7240 0.5736 0.7715 0.8771 0.8666 0.6874 0.5331 0.8912 1.0104 1.1807 0.7232 0.9928 0.5945 0.8005 0.5519 0.0871 0.3349 0.7008 0.3512 0.0871 0.0871 1.2179 1.2661 1.2838 1.1011 1.6580 1.1854 1.2446 0.8580 0.8598 1.1248 1.2182 0.7905 1.2965 0.8205 0.8902 1.2448 1.0072 0.7291 1.0119 1.0035 0.7621 0.9518 0.5976 1.0869 1.1799 1.1319 1.0566 1.2143 0.0871 0.0871 0.0871 0.0871 0.6375 0.2768 1.0642 1.1931 0.7523 1.0405 1.2238 1.0109 1.0362 1.0489 0.6677 1.5442 1.4718 1.1974 1.0868 1.3455 1.2163 1.2426 1.2065 1.1636 0.8711 0.9965 1.1736 0.9832 1.2965 1.3433 1.2947 1.4333 1.6967 1.2014 0.0871 0.0871 0.0871 0.6219 0.0871 0.3231 1.6575 1.7880 1.1860 0.9603 0.8939 0.7275 1.1343 0.7688 0.6535 0.5722 1.3151 1.5037 1.0643 0.8771 1.3387 0.8310 1.4344 1.1603 1.2395 0.8718 0.8643 1.0507 0.7650 0.7371 1.0923 0.7556 0.0871 0.0871 0.6931 0.7847 0.0871 0.6948 0.5617 0.8502 1.0659 0.6997 0.7783 0.6085 1.2007 1.0635 1.1348 1.2852 1.0808 1.4424 0.6276 0.7615 0.5900 0.6393 0.5350 0.6830 1.4017 1.3742 1.7075 1.4642 1.3464 1.3770 0.7788 0.6125 0.7694 0.9860 1.0637 0.0871 0.2883 0.0871 0.0871 0.3342 0.5043 0.7611 0.9013 0.8670 1.3298 1.2156 1.2395 1.6485 1.0380 1.4536 1.0495 0.9255 N-acetylglutamine 1.2942 1.1343 0.9269 0.4321 0.4401 0.4889 1.4079 1.4186 0.8195 0.4913 0.4498 1.2086 1.5935 1.7623 1.3486 1.5992 1.2774 0.6096 1.1191 1.1074 1.9787 0.9301 1.8884 0.9874 0.9871 0.5424 0.7142 0.8485 1.7642 1.3422 0.8787 1.1666 0.1710 0.5306 0.1710 0.6166 0.6984 0.6826 0.7406 0.5829 0.5733 1.3424 1.2685 1.2357 1.4280 1.0985 0.8806 2.4623 1.4024 0.9223 0.9543 1.8745 0.8652 1.4717 0.4455 0.5491 1.4144 0.8516 1.1442 0.9526 1.7011 1.0924 2.1258 0.7304 1.4851 1.4011 1.4034 1.5628 1.4001 1.6616 0.8580 0.5145 1.5299 1.0211 1.6902 2.1375 2.2384 1.4989 2.0779 2.3717 1.0158 1.9758 1.1612 0.7580 2.8255 3.1106 1.2164 1.2414 1.0831 2.0720 1.0551 1.0972 0.9548 0.5409 0.5566 0.8536 0.5509 0.9230 0.9483 0.7995 0.7867 0.6112 0.9284 0.3577 0.5321 0.8153 0.4862 0.6779 0.9214 1.2237 1.3830 0.9812 0.5967 0.4421 0.5408 4.0393 1.2879 1.4928 1.4770 1.5139 1.3201 1.3205 1.2859 1.4194 0.5489 1.4466 1.0720 1.2812 0.4386 0.5392 1.4447 0.3760 1.0517 1.4899 0.7421 0.5459 0.7316 1.2778 0.8582 0.4707 1.4739 0.4106 0.5626 0.9752 0.7777 1.0700 0.5352 0.7626 0.9946 1.1897 2.0561 1.0713 1.6485 0.8408 0.6840 0.7725 0.7148 0.6638 0.7221 1.2330 1.0126 1.0251 1.1112 1.1256 1.6353 0.2203 0.1710 0.3449 0.6199 0.8768 0.1710 0.4088 1.0054 0.4317 0.2289 0.9688 0.2397 0.6288 0.1710 0.7435 0.1710 1.0418 1.1271 1.3415 1.0667 0.5483 0.6969 N-acetylglycine 0.9391 0.8994 0.5975 1.3681 1.1402 1.0000 0.7703 0.7016 0.4851 0.9563 0.7017 1.1825 0.9240 0.9277 0.8193 0.9476 1.0396 3.5892 0.7832 2.7636 1.1063 3.0059 1.6571 1.7481 1.9898 2.3253 1.0130 3.6004 1.7663 0.5623 0.6270 0.7200 0.7975 0.4938 0.6385 0.6349 0.5412 0.5316 0.5915 0.3986 0.4606 2.3411 1.9006 1.8566 2.5321 2.0602 5.9049 0.9505 0.6609 0.8012 1.1103 1.0834 2.1677 0.6410 1.1328 0.8298 0.6308 0.4727 0.5176 1.0419 0.8332 1.2865 0.7892 1.1270 1.0158 1.0539 1.0571 1.4845 1.1785 1.9433 2.6667 2.6032 1.6883 2.8990 1.3803 2.8472 1.8622 6.0454 3.3741 2.7404 0.8198 0.4448 0.9539 1.1352 0.7678 0.7508 0.6644 0.6094 0.7045 1.0281 0.6340 0.7190 0.9875 2.0027 1.5564 1.0125 1.1121 0.9732 0.9842 0.9680 1.4410 1.0435 1.1141 0.7072 0.7202 0.6238 0.8856 0.5344 0.6622 1.4680 1.4614 0.9497 1.9254 2.7124 2.8295 1.6707 2.0073 2.1541 2.0398 4.8555 4.7333 5.2932 6.9936 4.9580 0.8507 0.5276 0.3855 0.4706 0.7218 1.8576 1.1355 2.2415 0.7150 1.3482 1.8601 0.8534 0.4365 0.5523 1.4351 0.9847 0.6111 1.5039 1.6418 0.6009 0.5912 0.9872 1.2375 0.9820 1.6374 0.8049 1.2267 1.6700 1.0035 0.5430 0.4779 0.5727 0.5114 1.0529 0.6877 0.8204 1.4171 0.8537 0.7932 0.8803 0.8152 1.4341 1.6094 0.4595 0.8306 0.6888 3.4555 0.8999 1.4615 4.5708 2.1865 1.5696 0.8334 0.3870 0.8480 0.5716 0.6812 0.9586 1.9905 0.8838 1.4951 1.9844 2.0519 N-acetylhistidine 0.8252 0.5075 0.9158 0.6001 0.5132 0.5799 1.8518 1.8178 1.2895 0.9324 1.0812 0.8084 1.0531 1.0629 1.0065 1.2036 1.1943 0.6671 1.1317 0.7341 1.3432 0.8718 1.3256 1.2125 1.1629 0.7845 0.8710 0.8278 1.2485 1.2867 1.0781 1.0181 0.4072 0.5195 0.6132 0.6136 0.5024 0.7198 0.5917 0.6546 0.3770 1.5637 1.6157 1.7195 1.3578 1.3929 1.5983 1.9442 1.3152 0.7595 0.8492 1.6400 0.7311 1.0229 0.6030 0.5851 0.9451 1.1543 1.2454 0.9935 1.4843 1.1039 1.5946 0.8740 0.7674 0.8363 1.0242 0.8062 0.8337 1.5321 1.1300 0.3282 1.4238 1.1504 1.3751 0.7913 0.6660 0.6853 0.7468 0.7839 1.6290 3.1185 2.0926 1.2810 3.1069 3.5191 1.5330 1.2253 1.3132 1.7403 1.4817 1.5125 0.8317 0.3992 0.4775 0.8704 0.6967 1.3904 1.1304 1.4872 1.1399 1.1150 1.2404 0.6131 0.7747 1.1544 0.8320 1.0284 1.2446 1.4973 1.0344 0.8825 0.5488 0.4777 0.5594 2.0363 0.9935 1.3094 0.9721 1.1318 1.2541 1.2250 1.0064 1.1789 0.9820 1.0260 0.8629 1.0065 0.8264 0.4837 0.5773 0.4082 0.7562 0.8134 0.4825 0.3286 0.4341 0.9730 0.6590 0.3414 0.9073 0.6810 0.7290 1.5019 1.3746 1.3886 0.7424 1.6576 1.4843 2.0277 2.1724 1.5069 2.0326 0.9527 0.9111 0.9936 0.8679 0.8629 0.9269 1.0340 1.0491 1.1782 0.9538 1.2314 1.2709 0.3784 0.6320 0.9459 1.2717 1.2342 0.3519 0.5561 1.0543 0.8320 0.3384 1.2486 0.3282 0.6305 0.5431 0.5727 0.3625 1.7649 1.2444 1.8215 1.6314 0.9373 0.7923 N-acetylserine 1.0912 0.9338 0.8612 0.6431 0.7913 0.8193 1.2107 1.1729 0.9428 0.7452 0.9852 1.2015 1.3813 1.5850 1.2075 1.5189 1.3273 0.7665 0.8310 0.8219 1.0244 0.8655 1.0452 0.9548 0.9929 0.8678 0.8599 0.9110 1.0071 1.1347 0.9101 1.0874 0.7944 0.8214 0.6550 1.0246 1.0576 1.0594 1.0000 0.8386 0.9290 1.4069 1.5001 1.3150 1.3306 1.3499 1.2376 1.1612 0.8027 0.7531 0.7099 1.0176 0.6402 1.4362 0.9494 1.0624 1.3692 1.1030 0.9202 0.9800 1.0866 0.9784 1.2321 0.8920 0.9831 0.9695 0.9535 1.0023 0.9727 0.9939 0.8130 0.8944 0.9605 0.8890 1.0180 0.9445 0.9947 0.9044 0.9576 1.0130 0.8596 1.1427 1.0090 0.8525 1.3049 1.3092 1.3650 1.0924 1.2399 1.3725 1.2565 1.3819 1.1197 0.8986 0.9407 1.1104 1.1349 1.0588 0.9853 1.0200 0.9723 1.2233 0.9717 0.7908 0.8153 0.9614 0.9056 0.9971 1.0357 1.2489 1.2851 1.1400 0.8616 0.8046 0.8771 1.0539 0.7186 0.8034 0.6644 1.3178 1.4374 1.2602 1.1466 1.2672 0.8690 1.2271 0.9843 1.0116 0.9149 0.9745 1.1223 0.7777 0.8718 1.0587 0.9644 0.7328 0.7265 1.0357 0.8149 0.7293 1.0046 0.7656 1.0340 1.0102 0.8964 1.1610 0.7558 1.1582 1.0905 1.3033 1.5187 1.1292 1.5338 0.8196 1.0452 0.9238 0.8756 0.9249 0.9764 1.2581 1.3457 1.3102 1.1537 1.1348 1.3628 0.8552 0.7618 1.0065 0.9977 1.1876 0.7816 0.9756 1.4004 1.0369 0.8208 1.4679 0.7943 1.0353 0.7854 1.2085 0.9069 1.0750 1.1041 1.1432 1.2682 0.7292 0.8676 N-acetyltaurine 1.1132 1.1006 0.5501 0.6922 0.5514 0.9574 1.1922 1.2332 1.3303 0.8186 0.9018 1.0262 0.7968 1.0330 1.1533 0.7856 1.0495 0.6256 1.0628 0.9376 0.5454 1.1342 1.0371 0.8442 1.0095 0.9747 0.7571 0.9561 1.2838 1.2596 1.3781 1.2099 0.5643 0.8865 0.9081 0.8053 1.0025 1.0361 0.7919 0.5451 1.0665 1.2016 1.1073 1.0128 1.0719 1.3957 1.1985 0.7692 1.0141 0.5360 0.7730 0.9899 0.6080 0.9978 0.7549 0.6996 1.0547 0.8633 1.0432 1.1570 1.3575 1.1017 1.3228 0.9329 0.5882 1.0315 0.9433 0.9963 0.6507 0.7661 0.8950 0.6095 0.9993 0.8162 0.8500 0.6871 0.5629 0.5196 0.7016 0.8189 1.0669 0.8839 1.0274 0.5986 1.2329 1.2765 1.0836 0.9331 1.1590 1.7370 1.2772 1.3157 1.2449 0.7466 0.8335 0.9626 0.9905 1.0371 1.1020 1.0302 1.0782 1.0111 1.1050 0.6718 0.9477 0.9973 0.7707 0.8201 1.0262 1.2680 1.5141 1.5922 1.6034 1.0718 1.4289 0.7118 0.4714 0.5341 0.3872 0.7243 0.7647 0.8257 0.4969 0.6408 0.6083 0.8936 0.6776 0.8159 0.6988 0.7840 0.9832 0.8219 1.3031 1.1001 1.0318 0.7338 0.8882 0.8377 0.7645 0.6532 0.8329 0.7534 0.9336 0.9348 0.8889 1.1270 1.0000 1.1503 0.9972 1.0765 2.1588 0.8668 1.7259 1.0029 0.9439 1.0155 1.0377 0.8734 1.1138 1.3721 1.2585 1.3486 1.2834 1.1417 1.3487 0.5809 0.5487 0.8124 1.0022 1.0135 1.0970 1.4910 2.3416 1.7018 1.3704 2.1203 1.3046 1.3318 1.2005 1.2715 1.3055 1.1704 1.3228 1.4348 1.2626 0.8282 1.0244 N-delta-acetylornithine 0.7196 0.6956 0.5343 0.1303 0.2577 0.3506 1.4560 1.4517 1.0141 0.4489 0.5719 1.2562 1.4178 1.4655 1.5318 1.3571 1.4711 0.1045 0.2186 0.1495 0.3674 0.1214 0.4040 1.3730 0.8168 0.6471 0.8452 1.0267 1.3155 1.5683 1.3158 1.8060 0.5115 0.8813 0.6899 1.0942 1.2614 1.3918 1.2671 0.9503 1.3160 1.7752 1.8030 2.0049 1.7277 1.6551 1.4578 0.9463 0.5319 0.1866 0.2111 0.8407 0.1226 0.5987 0.1045 0.2320 0.5768 0.3290 0.5286 0.5017 0.9136 0.5118 0.8652 0.4424 0.5390 0.5516 0.4384 0.3589 0.3560 0.2902 0.1879 0.1637 0.3642 0.2756 0.4803 0.6663 0.8053 0.4446 0.6658 0.7838 0.1380 0.4437 0.3031 0.1563 0.9282 0.8090 2.1828 2.1123 2.2793 2.1357 2.3838 2.4526 3.7416 2.0190 2.2685 3.5020 2.9348 2.5153 2.0520 2.2806 2.1303 2.4819 2.4318 0.8504 1.1289 2.0894 0.9285 1.6006 1.8738 3.3429 3.2929 2.9500 1.4018 1.0481 1.5731 0.7292 0.1960 0.2512 0.2541 1.1560 1.1376 0.9874 0.8635 1.0663 0.2237 0.9733 0.5908 0.8490 0.4239 0.5323 1.0000 0.5025 0.7502 0.9648 0.5225 0.2358 0.2474 0.4626 0.3530 0.1874 0.4471 0.7377 1.0000 1.6546 1.2958 1.6286 0.8459 1.6285 1.5589 2.2435 2.6308 1.4367 2.9048 1.3116 1.7488 1.5088 1.4133 1.4427 1.6105 2.2530 2.3479 2.4457 2.5701 2.3375 3.0594 0.6153 0.3607 1.5666 2.3135 2.6266 1.0425 2.2433 3.3678 1.7100 1.4761 3.2696 0.2136 0.7640 0.2841 1.2643 0.2947 3.3670 1.2833 2.7148 3.2234 0.9307 1.1051 N-formylanthranilic acid 0.4470 0.7048 0.5125 0.9520 0.6989 0.8080 0.8889 1.0251 1.1427 1.1004 1.9709 1.0413 1.8129 1.6306 1.2969 1.8581 1.5037 1.4140 1.0357 1.2937 0.8190 1.7135 0.7822 0.8549 0.8963 1.3892 0.8146 1.0648 0.6831 1.0394 1.0825 0.8768 1.2983 1.0975 1.1400 0.6949 1.2179 0.8557 0.6861 1.0403 0.8017 0.7775 0.5966 0.5551 0.5161 0.8566 0.5328 1.5047 1.5215 3.0212 2.0598 1.5677 1.8523 2.6383 4.6381 6.2139 2.9513 2.3866 0.9438 1.5805 1.5422 1.4200 1.3234 1.7145 0.9505 0.8755 0.7611 0.6555 0.9479 0.5955 0.8413 0.9106 0.6548 1.3394 0.7354 0.8168 0.7298 0.5575 0.6566 0.6715 1.1665 1.0000 1.4335 1.6755 0.8182 0.7160 1.0200 1.0485 1.1182 0.4470 0.8955 0.9406 1.1747 1.3379 1.4274 1.1199 1.3234 0.9036 0.8097 0.8235 0.7464 0.8784 0.9224 1.2577 1.2938 0.5355 1.4118 0.5787 0.5037 0.6572 1.0958 1.1792 1.1992 1.3664 0.7937 0.4470 0.8578 1.0907 0.9453 0.7169 0.8448 0.7937 0.6110 0.4470 1.2740 0.7544 0.7410 0.7655 0.7757 1.9563 1.0456 1.6486 1.2504 0.7281 1.6693 0.5733 0.4470 0.5665 0.8240 0.4470 0.4470 1.5474 1.5438 1.3809 1.7393 1.6188 1.7852 1.2950 1.5103 0.9107 1.0168 1.8554 0.8812 0.5481 0.9919 0.7845 1.0081 0.7719 0.4470 0.8209 0.8730 0.9574 0.9442 1.0022 0.9978 1.3551 1.4061 0.4470 0.4470 0.4470 1.1531 0.7234 1.1592 1.3702 1.0377 0.9312 1.3437 0.5339 1.0742 0.4576 1.0754 0.5158 1.2531 0.5137 0.6196 0.9772 1.1687 orotate 1.0891 0.9482 1.1376 0.7453 0.7186 0.9641 0.8880 0.7570 0.8797 0.7206 0.7373 1.1534 1.6507 1.1961 1.3477 1.3576 1.2899 0.6767 0.8457 0.5224 0.5208 0.5920 1.0045 0.9408 1.1391 0.9814 1.1535 1.1233 0.9504 0.9148 1.3752 1.1108 0.5382 0.6842 0.5620 0.9776 0.8703 1.0954 0.8058 0.4554 0.6055 1.4833 1.3505 1.3061 1.3862 1.2316 1.3274 1.2281 1.4647 0.7542 0.8802 1.1942 1.2266 1.1223 0.5957 0.6845 0.8953 1.2033 0.8921 0.8150 0.8992 0.6506 0.8277 0.6503 1.4702 1.2414 1.4821 1.5766 1.5196 1.4320 0.8638 1.0000 1.0769 1.3190 0.9811 0.8337 1.2200 0.9515 0.8541 0.9395 0.9185 2.1298 1.1426 1.2574 1.4168 1.4890 0.8529 0.6107 0.6196 0.8002 0.7383 1.0529 0.9477 0.8166 0.7554 1.0186 1.0233 0.4688 0.5951 0.5897 0.6438 0.7530 0.5155 0.8133 0.5898 0.7658 0.8329 1.0566 0.8316 1.1718 0.9503 1.3088 0.6887 0.8462 0.7261 0.7818 0.6527 0.8452 0.5727 1.1264 1.5967 1.2574 1.2995 1.4325 0.5562 1.0357 1.1715 1.1037 0.8050 0.9404 1.1476 0.8738 0.9955 1.1624 1.0337 0.9148 1.1864 1.3184 1.2236 0.9499 1.1945 0.7648 1.0015 0.8530 1.0713 1.3105 0.7390 1.4103 1.1171 1.9403 1.9446 1.1277 1.3784 0.7258 1.1385 1.0433 0.8171 1.1258 1.2053 1.5136 1.4908 1.4424 1.5597 1.2832 1.1317 1.9155 2.0745 2.7832 1.9532 1.9250 0.7659 1.1457 0.9362 0.8487 0.7978 1.5943 0.8191 1.1807 0.7365 1.0658 0.6576 1.0402 0.7637 1.1420 1.2199 0.6568 0.8251 orotidine 0.7161 1.1106 0.2984 0.2984 0.2984 0.2984 0.9992 1.0222 0.8635 0.5472 0.9274 1.3057 1.1027 1.2087 1.3760 1.2201 1.3792 0.4854 0.7197 0.6199 0.6884 0.6198 0.9696 0.8685 0.7993 0.7650 0.7496 0.8045 2.2205 1.3971 1.4069 1.3991 0.6948 1.0641 0.8782 1.4159 1.2021 1.1907 1.0286 0.9448 1.2870 1.7169 1.3369 1.7242 1.7256 1.7119 1.7608 0.9166 1.0896 0.3636 0.5914 0.9498 0.4183 1.2390 0.7491 0.8823 1.0973 0.9623 0.9334 0.9199 1.1360 0.8760 1.0161 0.7662 0.8885 1.1019 1.1638 0.8584 0.8568 1.1340 1.2824 1.2847 1.3929 0.9523 1.0949 0.7653 0.6438 0.5464 0.5918 0.7497 0.2984 0.4652 0.2984 0.2984 0.5090 0.2984 1.1890 1.2147 1.4801 3.2016 1.3596 1.2540 1.1663 0.8098 0.7631 1.0602 1.0257 0.9840 1.1007 1.1903 0.9704 1.2317 1.0160 0.4553 0.6796 0.2984 0.2984 0.8148 1.1044 0.8727 1.6300 1.0608 0.7795 0.2984 0.5338 2.0744 0.2984 0.2984 0.4226 1.2504 1.2884 1.3729 0.8170 1.2157 0.7878 1.1971 0.9839 1.0790 0.8607 0.5284 0.7351 0.5737 0.6205 0.6460 0.5090 0.9589 1.0791 1.0192 0.9146 0.9204 0.9690 0.6119 0.7011 0.8385 0.6957 1.1548 0.5129 1.0623 1.1732 1.2957 2.2786 1.0000 1.9723 1.1669 1.1007 1.1842 1.0485 0.9359 0.9770 1.3245 1.1628 1.2089 1.2452 1.2696 2.1868 0.6509 0.5438 0.7827 1.0694 1.1771 0.2984 0.2984 1.0154 0.2984 0.2984 0.7986 0.5032 0.9702 0.5314 1.2448 0.5369 1.1953 1.1032 5.0653 1.2456 0.6783 0.7779 p-cresol glucuronide* 1.1643 1.0100 1.0242 0.6470 0.8310 0.5881 2.2182 1.5090 1.5228 1.6036 3.7173 4.5953 3.9244 4.1894 4.9284 8.1485 5.2376 0.0271 0.1949 0.4339 0.5754 0.4648 0.8944 1.5593 1.0524 0.7272 0.2209 1.2590 0.2087 1.5502 0.2704 0.4814 0.0271 0.0271 1.1230 0.2995 0.1792 0.3059 0.0271 0.3428 0.1295 1.5324 0.6586 1.3889 1.2469 1.9098 1.8060 10.2402 2.4636 2.8416 3.6233 4.1278 0.5506 0.8154 0.4962 0.9270 1.8477 1.0000 0.6232 1.3208 1.2766 0.7442 1.2343 0.6208 8.1985 6.9615 6.1509 6.6229 6.5479 0.0271 0.3741 0.3083 0.0271 0.3190 0.0774 0.0913 0.2144 0.2516 0.2883 0.2024 0.2229 0.9900 1.1508 0.7044 1.5766 0.7665 0.0271 0.3940 2.7735 5.2774 4.4953 5.0211 0.5270 0.1352 0.9476 1.5084 0.8023 3.7322 2.6050 2.0922 2.8032 5.0724 2.4150 1.3547 3.1102 6.6845 1.8029 4.5236 4.2463 2.1377 0.3425 1.6702 2.6179 2.0402 1.2924 0.9301 0.5589 1.4659 0.7366 0.7986 0.9101 1.1763 0.4516 0.5059 0.0271 0.0271 0.0284 0.0465 0.0271 0.4300 0.2832 0.1161 0.1966 0.1824 0.0271 2.3455 2.2723 1.9455 1.3599 1.3424 2.2234 0.3541 0.7038 0.2197 1.3293 3.5577 0.1427 0.0271 0.5728 0.3382 0.2211 0.2967 0.4194 0.0271 0.3977 0.6477 1.1608 0.8465 1.1036 0.0271 1.8260 2.1158 1.9230 1.8536 1.6584 0.8228 0.0271 1.0213 2.9485 1.5134 0.1171 1.2860 1.4640 0.9722 1.1132 1.2857 0.2113 0.3484 0.1246 0.5625 0.6770 0.2248 0.1539 0.3863 0.4822 0.1294 0.1630 pentose acid* 1.1244 0.4747 0.5501 0.3766 0.8734 2.0800 1.1121 0.7185 0.7176 1.3067 1.3233 0.8886 1.2736 0.4999 0.5716 1.9687 1.4546 0.4256 0.4691 1.0150 0.4377 0.6517 0.9077 0.7430 0.6859 1.7032 0.6399 1.3966 1.8449 1.0000 0.4791 1.9033 0.6152 1.4774 0.6892 0.7378 0.6221 1.3799 0.9163 1.7462 1.5932 1.8985 0.9026 1.9567 2.0025 3.0600 0.8189 0.7679 0.5229 0.8152 0.8256 0.9722 0.6827 0.3815 0.2110 0.9821 1.1360 0.3944 0.8423 1.9378 1.4711 1.5113 0.8300 0.6347 0.8236 1.1754 0.6373 0.2851 0.3204 1.1070 0.9216 1.2599 1.2262 1.1781 1.1875 1.2087 1.9270 0.5197 1.3623 0.8652 0.7529 0.6400 2.4504 0.3243 1.3591 0.8980 1.9886 2.3817 3.3184 1.2285 1.3807 2.3249 0.6090 0.7959 1.0114 0.9886 0.6463 1.0377 1.0326 1.9223 1.0890 3.2495 1.5900 0.7399 1.5885 1.5299 0.8858 0.6922 1.1438 2.1866 1.2958 1.0283 2.4541 0.8598 1.4849 1.2008 0.6069 1.3890 0.7018 0.6640 2.0167 0.5093 0.4395 1.4832 0.2110 0.6463 0.6186 1.1515 0.8430 0.6375 0.3895 1.1273 0.5509 1.1899 0.5523 1.0639 0.3775 0.7171 0.7600 0.3421 1.0317 0.9426 1.9420 0.6915 0.5885 1.2000 1.0676 2.8450 1.6346 0.8730 2.2366 1.1058 1.2169 1.7393 0.7729 1.4820 3.2709 0.7995 1.5113 1.8795 1.4544 4.2067 1.6662 2.6266 1.6449 0.6610 0.6868 0.8705 1.9088 1.2492 1.2150 1.0000 1.4611 1.3530 1.5563 2.7089 0.4714 0.5873 0.7160 0.5045 1.0830 0.6196 0.5007 0.5695 0.9137 0.2525 0.7172 perfluorooctanoate (PFOA) 0.7323 0.7986 0.6776 0.7456 0.6700 0.9034 1.1234 1.1732 1.3010 1.1001 1.1716 1.3911 1.2245 1.3536 1.4263 1.2421 1.5610 0.3116 0.3881 0.3614 0.3454 0.4419 0.3569 1.0644 1.0068 0.9316 1.0134 0.9463 0.9932 1.0764 1.1076 1.0118 1.0504 0.9726 1.0358 0.7148 0.7633 0.6914 0.7732 0.7573 0.7392 0.1083 0.1083 0.1083 0.1083 0.1083 0.1083 0.5537 0.6675 0.5693 0.7131 0.6262 0.6126 0.4928 0.5142 0.4218 0.5279 0.4712 1.1855 1.1467 1.2707 1.4127 1.1820 1.1501 0.1083 0.1083 0.1083 0.1083 0.1083 0.1222 0.1240 0.1083 0.1083 0.1249 0.1548 1.4895 1.3081 1.2526 1.2389 1.3019 0.1083 0.1083 0.1083 0.1083 0.1083 0.1083 1.3642 1.2539 1.4804 1.4303 1.4041 1.4145 1.1414 1.1184 1.3498 1.0528 1.2355 0.9330 0.8433 0.9187 1.0130 1.0133 1.0199 0.4616 0.5276 0.5518 0.4893 0.5144 0.4931 1.6431 1.7260 1.9678 1.6917 1.6822 1.7923 1.2200 1.2735 1.4645 1.3551 0.1083 0.1083 0.1083 0.1083 0.1083 0.8815 0.7724 0.7476 0.7665 0.7209 0.8533 0.9882 0.9550 1.2036 1.0883 1.1553 0.8631 0.8977 0.6289 0.7270 0.7150 0.6697 1.0716 0.7899 0.9745 0.9401 1.0129 0.9871 1.4217 1.3298 1.5457 1.4774 1.3350 1.5155 1.2897 1.3004 1.3033 1.3420 1.3808 1.6527 0.4986 0.4786 0.5083 0.5361 0.5451 0.5032 0.6295 0.6486 0.6889 0.7421 0.7480 7.9757 8.4844 8.4010 8.9610 8.5575 9.4281 2.8229 2.8994 2.9805 2.7337 3.1210 0.7234 0.8433 0.7090 0.7753 0.8126 0.7516 phenylpyruvate 0.6081 0.5662 0.8259 1.0614 0.9986 1.1028 0.8539 0.7227 1.1717 1.1476 1.2664 0.9393 1.5973 1.5541 1.2159 1.3848 1.3279 1.4620 1.4345 0.7161 1.3922 1.6152 0.6051 0.9271 0.8618 1.9882 1.6267 0.6343 0.4156 1.1032 1.6049 1.2792 0.9045 1.6084 1.6808 0.8466 1.0000 0.7949 0.8974 0.9767 0.7987 0.9835 0.9789 0.7921 0.9190 0.7622 0.9086 0.7925 0.8903 1.1321 0.7311 0.7293 0.9772 1.0000 1.1373 1.0062 1.1913 1.5611 0.9614 0.8996 0.7286 2.1301 1.0386 0.6687 0.6857 0.4042 0.2417 0.3417 0.3503 0.6479 0.8535 1.3971 0.6548 0.9247 0.6896 0.7783 0.7990 0.8438 0.5955 0.7553 0.8421 1.2407 1.2063 0.9567 0.7605 0.6279 1.4787 1.3614 0.9546 0.9663 1.0296 1.1471 2.2718 1.1198 3.0374 0.8710 1.9781 0.4528 0.4660 0.3009 0.4486 0.8009 0.2417 0.8280 0.7292 0.6204 0.5149 0.6323 0.5852 0.7672 1.0836 1.3733 1.1586 1.4528 1.0469 0.5698 0.8268 0.7433 0.4969 0.4620 0.6939 0.4259 0.4755 0.3634 1.5076 0.4881 0.7279 1.1624 1.5046 2.1799 1.5384 2.2246 2.3142 1.7837 1.8305 1.3489 1.5290 1.2874 1.1363 1.3505 1.4984 1.4877 1.5719 1.1809 1.2248 0.8417 1.5970 1.3967 1.2123 1.4891 0.4168 1.0335 0.8755 0.3648 0.9446 0.9012 0.5220 0.3366 1.1042 0.4540 0.8628 1.3436 0.5638 1.2055 1.1070 1.8920 1.9894 0.9512 1.2617 0.8962 1.2260 1.1500 1.0183 1.0828 1.4507 1.0577 1.6482 1.5574 1.8064 1.1157 1.5845 1.7482 1.2277 1.8499 1.3370 1.2783 2.0966 propionylglycine (C3) 0.1313 0.3075 0.1313 0.1313 0.1313 0.1313 0.1313 0.7568 0.4568 0.1313 0.4233 1.0392 0.9287 1.9739 1.1851 0.7004 1.5001 0.3850 1.4036 0.1313 1.1784 0.1313 0.1313 1.5299 1.2996 1.1273 1.2827 0.7651 1.2540 0.6628 0.1313 0.1313 0.1313 0.1313 0.5112 0.1313 0.1313 0.1313 0.1313 0.8476 0.1511 1.5929 2.5184 1.6382 1.5456 2.4068 1.4928 1.2223 1.2400 0.1313 0.1313 1.1751 0.5318 0.1313 0.1313 0.1313 0.3765 0.4233 1.0771 0.9325 1.3697 0.7412 1.2732 0.1313 0.1313 0.6715 0.8002 0.5852 0.1313 0.1313 0.3598 0.1313 0.1313 0.4433 0.8246 1.8412 2.1957 1.4598 1.7919 2.7885 0.1313 0.3760 0.4308 0.1313 0.6505 0.5250 0.7222 1.3459 0.7751 0.6712 1.3308 0.7226 0.1313 0.1313 0.1313 1.1055 0.1313 1.9963 1.6939 1.4658 1.1198 1.3687 1.6301 0.1313 0.4019 0.6653 0.1313 0.5889 0.7777 2.0222 3.3271 2.4140 1.0788 1.1941 1.3244 0.6788 0.2845 0.1313 0.4270 2.0789 2.8954 2.6106 1.5006 1.5371 0.5925 0.1313 0.5196 0.1313 0.1313 0.8738 0.7746 0.6856 1.1500 1.2947 0.4045 0.5746 0.4058 0.1313 0.1313 0.1313 0.6323 1.0474 0.4809 2.4406 0.9096 1.6803 1.1631 0.5514 0.4270 0.5566 1.2709 0.7266 1.2214 1.0953 0.8741 0.8186 1.2981 0.1313 0.1313 1.0675 0.1313 0.6647 0.7346 0.5519 0.7010 0.5835 0.3728 0.9047 1.9212 1.9020 1.4535 1.3813 3.2068 1.4123 1.1845 2.1365 0.3569 0.1313 0.7885 0.6284 0.1313 1.0000 0.1313 0.7568 1.0396 0.5857 0.1313 pyruvate 0.9417 1.0328 1.0617 0.9747 0.8361 0.7922 1.2529 1.4477 1.2518 0.9098 0.8953 0.9334 1.1241 1.2346 1.2527 1.2650 1.2438 0.8374 0.9387 0.7844 1.3047 0.9206 1.0828 1.0230 1.1039 1.2536 1.3775 1.0259 0.9603 1.1805 1.5422 1.3492 0.9175 0.9555 0.9232 1.0612 1.5166 1.2197 1.4099 1.5374 1.4897 1.1411 0.8908 0.9925 0.9598 1.0842 0.7329 1.2204 1.0873 0.7765 0.8805 1.1268 0.8638 1.2863 0.8979 0.6996 1.3630 1.5637 1.0858 0.7594 1.0494 0.8278 1.1564 0.8367 1.4645 1.2683 1.2870 1.0688 1.2524 0.9529 0.9788 0.8735 1.0357 1.0720 1.0072 0.7870 1.0000 0.9963 0.8361 0.7865 0.8538 1.0916 0.7976 0.7789 0.9418 0.8656 0.7860 0.9950 0.8207 0.7485 0.8782 0.8629 1.1504 0.8216 0.9456 1.0289 0.7714 1.3992 1.2110 1.1827 0.8870 1.1449 1.1691 1.0303 0.6905 1.0807 0.8816 0.9120 1.1544 0.9704 1.2954 1.3214 0.6778 0.8421 0.7159 0.8959 0.7457 0.6733 0.6640 0.8465 1.0562 0.9259 1.0800 0.8923 0.9770 1.4691 1.1094 1.3960 0.7704 0.7812 1.0565 0.4008 0.9399 0.9468 0.8545 0.8430 1.0693 1.2777 1.0111 1.2150 1.1350 1.1042 1.1098 1.3906 0.9121 1.2405 1.0762 0.8757 0.7852 1.1363 1.2098 0.8703 1.0076 0.8836 1.2877 1.0538 1.1549 0.8787 1.0092 0.7895 0.7360 0.9325 1.0508 0.7757 0.8470 0.9533 1.0471 1.0050 0.8918 1.2018 0.8041 1.3670 1.3165 0.9440 0.8238 1.0958 0.7654 1.0918 0.8752 1.0630 0.8613 1.2211 1.1652 1.0279 0.9031 0.7326 0.7917 quinate 0.7600 0.4910 0.5345 0.3759 0.6187 0.5735 2.2237 2.3020 1.6574 1.5001 1.5486 0.6990 1.1928 1.3373 0.9346 1.0195 1.4356 0.5737 0.5350 0.4807 0.4210 0.9243 0.8052 4.0048 1.0000 1.2588 1.6351 1.2730 2.8203 0.9344 0.6745 1.0593 0.4633 0.5914 0.7131 0.3386 0.6704 0.8833 0.5847 0.6084 0.9291 1.0587 1.3772 0.9764 0.9816 0.7030 0.8066 2.2826 1.7159 1.1662 1.2123 1.9641 1.2098 0.7086 0.3435 0.4964 0.8554 0.6881 0.2324 0.3515 0.4778 0.3958 0.5428 0.2324 0.6934 0.8235 0.9087 0.7101 0.6435 0.5887 0.6637 0.7838 0.9494 0.5901 0.6123 0.7993 1.2412 0.6514 0.9587 0.9374 0.5557 0.8828 0.9692 0.7343 1.3436 1.1051 2.0859 2.3028 2.3366 3.3830 4.0559 3.3916 0.3965 0.2324 0.2804 0.5083 0.3878 1.0535 1.1303 1.6263 0.8426 1.2054 1.2953 0.7138 0.7031 1.1685 0.7906 0.7843 1.7432 12.5422 45.9002 11.1824 5.5955 3.4856 4.8707 2.4853 1.2467 1.8239 1.3478 1.8499 1.1494 1.3827 1.1454 1.9774 1.7690 0.4741 0.2324 0.6908 0.2629 1.1458 1.4273 0.8375 1.1673 1.5289 0.9237 0.5972 0.4603 1.0936 0.6227 0.5845 1.0000 1.4496 1.5148 1.9586 1.8189 2.3512 2.0187 1.6673 1.7845 1.8384 2.8434 2.2171 2.4854 1.0485 1.2777 1.1347 0.9754 0.7828 1.1301 2.5790 3.9335 2.8643 3.8970 3.2199 9.2180 0.8070 0.7961 1.0246 1.3110 1.4612 1.4016 2.0614 3.3336 1.5901 1.4637 3.3752 0.5054 0.7390 0.5603 0.6522 0.7313 0.7267 0.4950 0.6868 0.8481 0.4866 0.5106 quinolinate 0.0785 0.2357 0.2203 0.0785 0.0785 0.0785 1.4844 1.0452 0.5882 0.8114 0.6309 1.0616 1.2496 1.1499 1.1874 1.1041 1.5991 0.4951 0.3998 0.6553 0.4840 0.6430 0.4865 0.8849 0.7034 0.8929 0.7570 0.8923 0.9463 1.4348 1.2706 1.5284 0.8266 1.2594 0.9042 0.0785 0.0785 0.0992 0.0785 0.0785 0.0785 1.5973 0.8623 1.4128 1.3589 0.8316 0.4434 1.1667 1.3417 1.1373 1.0815 1.2866 0.9067 1.1611 0.5663 0.9973 1.3368 0.9481 1.0569 1.0994 1.1588 1.1167 1.1602 0.9828 0.6986 0.7789 0.8397 0.7856 0.7374 0.0785 0.0785 0.0785 0.0785 0.1496 0.0785 0.2561 0.3626 0.1696 0.7534 0.5137 1.5796 1.5145 2.0830 1.3157 1.9397 1.8534 2.1360 1.7043 1.9523 1.8154 1.9215 2.1017 0.9568 1.0822 1.1094 1.1477 0.9991 1.6538 1.9754 1.8636 1.7841 1.8786 1.8678 0.0785 0.0785 0.0785 0.1748 0.0785 0.0785 1.2086 0.5394 0.8215 0.2245 0.2938 0.2264 0.8921 0.7054 1.0616 0.8727 0.8157 0.8700 0.9030 0.5988 0.8304 0.6203 1.1175 0.8914 1.2438 1.1123 0.6557 0.6568 0.5817 0.6613 0.6990 0.7026 0.0785 0.0785 0.0785 0.2250 0.0785 0.1597 0.7462 0.6036 0.5000 0.6167 1.0000 0.2344 2.1892 1.9596 1.8412 2.4548 1.8064 2.5548 1.1433 1.2615 1.2221 1.1919 1.1004 1.3519 1.0009 0.9098 1.0288 0.9627 0.8816 1.0825 1.0027 0.6831 1.0419 1.6256 1.4937 0.0785 0.1459 0.1368 0.0785 0.0898 0.1706 1.0093 2.0075 0.6140 0.7941 1.7461 2.4290 2.1682 2.0630 3.0826 1.8193 1.8666 ribitol 0.9629 0.7833 0.9654 0.6715 0.8254 0.8518 1.4925 1.3225 1.5295 1.1316 1.2013 1.1042 1.2447 1.2834 1.0949 1.1899 1.3887 0.7764 0.8240 0.7201 0.8799 0.7837 0.9258 0.9892 1.0508 0.9166 1.1298 0.8748 1.0507 1.2561 1.5291 1.2853 0.9346 1.0360 0.9767 1.0787 1.4223 1.3800 1.1720 0.9223 1.3051 0.9563 0.7902 0.9069 0.8168 0.9594 0.7243 1.2111 1.3808 0.9649 1.0311 1.1237 1.0706 0.9417 0.8422 0.9432 0.9937 1.3258 0.9549 0.9144 1.1067 1.0138 1.0108 0.8319 1.1911 1.2293 1.1672 1.0811 1.0658 0.8689 0.6392 0.7454 0.8582 1.0000 0.9005 0.8125 0.9292 0.8218 0.8966 0.9808 1.0570 1.5602 1.0614 1.1412 1.2061 1.2986 0.8777 0.8772 1.0581 0.9718 0.9829 1.1306 1.2178 0.8951 1.0162 1.0717 0.9413 1.3937 1.1825 1.3035 1.1181 1.3858 1.3952 0.6879 0.7613 0.6804 0.8319 0.7831 0.8612 1.3933 1.3561 1.3549 0.9430 0.9658 0.9333 0.8103 0.8554 0.7526 0.8873 0.9609 1.0196 1.0063 1.0853 0.8847 0.8558 0.8734 0.9637 0.8190 0.8657 0.9147 0.9114 0.9120 1.0216 1.0764 1.0609 0.8480 0.8525 1.1058 1.0071 0.8514 0.9867 0.8365 0.8460 0.7817 0.9077 1.0176 0.8341 1.2719 1.2273 1.3114 1.3722 1.1462 1.2403 0.8544 0.8172 0.7944 0.8821 0.7813 0.7952 1.1862 0.9485 1.1793 1.0311 1.1187 1.0837 1.0696 0.9613 1.3747 1.4593 1.4120 1.5499 2.4238 2.5389 1.8011 1.6161 2.6815 0.9917 1.1772 0.9283 1.1367 0.8427 1.0824 1.0768 1.2391 1.1010 0.9127 0.9867 ribonate 1.1410 1.0801 1.0241 0.7584 0.6902 0.6441 0.8958 1.3190 0.9149 0.7389 0.6553 1.0628 0.8410 0.7623 1.1560 0.7363 1.2380 0.9036 0.7216 0.5754 0.4491 0.9722 0.5910 0.8799 1.0937 1.1738 0.8798 1.1290 1.4453 1.0037 1.8200 1.4285 0.7320 1.0370 1.0393 1.2732 1.4266 0.9805 1.2801 0.8358 1.3952 1.3027 1.5518 1.5833 1.1858 1.1659 1.6416 0.8234 1.1832 0.6095 0.5683 0.8752 1.0000 0.7925 0.9742 0.9875 0.8438 1.2533 1.6624 0.4133 0.4855 1.1236 1.0069 0.9329 1.1028 0.8360 0.7517 0.7927 0.9963 0.9644 0.6511 1.0416 0.8815 0.7686 1.2554 1.1562 0.9836 0.5631 0.6432 0.7658 0.6682 0.8145 0.8471 0.5167 0.9754 0.9298 1.1391 0.8541 0.7092 0.9100 1.3415 1.0118 1.5101 1.2663 0.3745 0.6390 1.3749 1.2441 1.7511 1.3643 1.3496 1.3097 1.2288 0.9200 0.7917 0.9616 0.9138 1.0184 0.8881 1.3855 1.5239 1.4341 1.2915 1.3516 1.5285 1.0162 1.0745 0.7862 1.3452 0.7535 0.7197 1.0371 0.7772 1.0498 0.7627 1.3303 1.1100 1.0969 0.9914 0.7368 0.6240 1.3019 0.8157 0.8390 1.1653 0.7370 0.8499 1.3533 1.1996 1.0157 1.3393 1.0472 0.6705 0.8802 0.8533 1.0244 1.1855 1.0197 0.8083 1.3035 1.2451 0.8601 1.1903 0.6404 1.2384 1.1442 1.0975 1.0750 1.2585 0.8800 0.9931 0.6291 0.4530 0.5325 1.3484 0.5039 0.6847 1.1754 1.3963 1.4047 1.3209 1.6788 2.0687 1.3980 1.1206 2.0054 0.8085 0.6744 0.8771 0.9532 0.5481 1.4647 0.9900 1.1000 1.1424 0.9946 0.7908 ribulonate/xylulonate/lyxonate* 1.0306 0.7134 1.0078 1.0383 1.0991 0.5835 1.0655 1.0243 1.0000 1.1575 1.2109 0.7547 0.9498 0.8527 1.0730 1.1046 0.9361 0.9380 0.9802 0.8655 1.0981 0.9789 1.0000 0.9294 0.8980 1.3772 0.2402 0.7021 0.2402 1.3367 0.4747 1.1024 0.4354 1.3651 1.0231 0.6638 0.9546 0.8059 1.1696 0.8704 0.7493 1.5748 1.3033 1.2926 1.1409 1.4875 1.0173 1.0526 0.9947 0.9175 1.0345 1.0125 0.9527 1.0047 0.8856 1.0480 0.9377 0.2402 0.5571 2.1201 0.2402 1.0739 1.4787 0.8419 1.0589 1.0860 0.9013 0.8931 0.4951 0.7403 0.4866 0.6114 0.7756 0.8767 0.9913 1.3528 1.2475 0.8801 1.1684 1.2094 0.8871 0.7744 1.3632 1.0372 0.9898 1.0056 1.2794 1.1901 1.6829 1.0086 1.2551 1.1372 0.8436 1.0706 1.4304 0.8935 0.9256 1.0112 1.1631 1.1180 0.6008 1.5530 1.1154 0.8759 0.8660 0.9480 0.9170 0.7798 0.9391 1.1288 1.2394 1.2373 1.0800 1.1880 1.2593 1.2331 1.3130 1.3053 1.1949 0.9432 1.2200 1.0219 0.7423 0.9460 0.2402 0.4919 0.2402 0.2402 0.5135 0.9940 0.4802 0.8851 0.4181 0.5983 0.8633 0.4237 0.2402 0.6211 0.7536 0.4568 0.6063 1.2599 1.1410 1.0523 0.9967 1.2068 1.1467 1.2178 1.0802 0.9702 1.0144 1.2615 1.0726 1.1042 1.1764 1.0621 1.2782 0.7808 0.9831 1.9721 2.6922 2.6280 0.2402 0.2402 1.7568 0.4027 0.3872 0.3974 0.9232 1.1704 0.9381 0.9808 1.1591 0.9625 1.0360 1.0947 0.9957 0.9651 0.9256 1.0449 0.9587 0.6566 0.8676 0.8028 0.7396 0.7418 0.7954 salicylate 0.8514 0.9189 0.4540 0.2474 0.7274 1.3963 0.4817 0.6807 0.2992 1.0166 1.0291 0.6830 0.9286 0.5424 0.6426 1.0504 0.7849 0.9575 1.0486 1.8611 1.2296 1.2480 0.6744 0.9882 0.6133 1.2075 0.4255 0.9156 0.6989 0.8522 0.3030 0.8043 0.3640 1.0247 0.9796 0.4464 1.3814 1.0000 0.7175 1.5561 0.7592 0.7073 0.8152 0.9560 0.5433 1.2798 0.3489 1.2537 1.5096 2.4176 1.8673 0.9894 0.7224 0.4981 0.3610 0.4567 0.4060 0.3960 0.9679 2.0025 1.7157 0.6910 1.4562 0.6222 0.2340 0.3782 0.3389 0.3848 0.1532 0.4300 1.4540 1.4281 0.6504 1.7157 1.1865 6.3899 3.2517 1.8051 3.5859 2.8662 0.5124 0.2333 1.1351 0.3383 0.5396 0.6071 0.7120 2.5851 2.1820 0.5511 1.3010 1.3421 1.0118 0.8850 1.5327 0.5880 0.5964 1.0450 0.6565 0.8435 2.5665 1.5052 12.6473 6.3735 12.2367 8.9510 8.1812 3.4709 7.9620 0.4645 0.2793 0.2611 0.8845 0.2694 0.3968 1.5660 0.8369 1.5014 1.3597 1.3968 2.6386 1.0204 0.7980 1.6151 0.1412 1.0788 0.6493 1.6577 1.6266 1.4792 1.4704 2.3783 0.9427 1.6455 1.3316 14.8681 9.3461 10.2260 16.6368 11.1578 9.4797 1.2617 1.6622 1.7360 1.2827 3.4151 1.5780 1.6168 1.7109 0.7394 1.1292 0.9650 1.3332 0.6899 0.8957 0.9471 1.7770 0.2418 0.7281 0.8452 1.6045 1.7925 3.8937 1.7468 1.9056 1.9540 1.7582 1.3058 3.4720 1.2481 0.5578 0.2717 0.8419 0.5486 1.0229 0.7646 1.1925 0.6823 1.5421 1.4558 2.2026 0.3479 0.2107 0.3281 0.6985 0.3634 0.7249 sebacate (C10-DC) 0.3033 0.3033 0.3033 0.3033 0.3033 0.3033 0.7005 1.0000 0.4587 0.5815 1.0167 1.1492 0.9947 1.1415 0.6932 0.7265 0.8562 0.7529 0.4719 1.7314 0.6268 1.1278 0.6608 1.3089 0.9679 1.5972 0.9640 2.5312 1.4604 1.0000 0.3033 1.0182 0.3033 1.0629 0.3033 1.5465 0.3033 0.3033 0.3033 0.3033 0.3033 0.6371 0.3033 0.7103 1.0008 1.3008 1.1053 0.9449 0.3033 4.5302 2.3626 1.2155 1.2828 0.7090 1.0592 1.5884 0.4599 0.3033 1.0545 1.3828 0.8169 1.2490 0.8447 0.7679 0.3033 0.3033 0.8504 1.2904 0.6651 0.3033 0.3033 0.3033 0.3033 0.3033 0.3033 0.4480 0.4651 0.6198 0.4860 0.3033 1.2371 0.3033 1.0005 0.8946 1.3401 1.2395 0.3033 0.7004 0.8497 0.9032 0.6598 0.3033 0.6138 1.2311 1.2443 0.9491 0.8715 1.4151 1.3812 0.7813 1.4471 1.2420 1.2941 0.3033 0.3033 0.3033 1.3554 0.3033 0.3033 0.6637 0.6288 0.3033 0.6933 0.4083 0.3033 0.9684 1.5505 1.9874 2.7981 1.2734 1.1224 1.2275 2.0107 0.3033 0.8117 1.0968 0.3033 0.6169 1.2842 0.7901 0.9587 1.4022 0.3033 0.7938 0.8297 0.3033 0.3033 0.3033 0.4485 0.3033 0.3033 0.8353 1.6637 0.5155 0.3033 1.2892 1.1982 1.4792 1.7893 0.3033 1.9073 2.0953 2.1114 0.3033 0.3033 0.4901 1.1407 1.2116 0.6020 0.5415 1.4438 1.0321 0.8921 0.9159 0.3033 1.3973 1.0892 0.8209 1.2086 0.7600 0.3660 0.3281 0.3033 1.7660 0.3033 0.6045 0.4812 0.3033 0.3455 0.4400 0.9258 0.8275 6.2708 0.5729 1.3113 2.7037 1.8939 S-methylcysteine 1.2354 2.0715 0.9826 0.1316 0.1447 0.3465 1.2675 2.2260 0.8163 0.1403 0.3673 1.0293 1.0000 1.6126 0.8758 1.1416 1.0678 0.2107 0.8178 0.2012 2.0946 0.1095 1.2816 1.7621 1.1924 0.4025 0.6752 0.3781 0.9493 2.4881 1.0323 1.3408 0.3376 0.4263 0.2044 0.9303 2.5338 1.1230 1.2523 0.9209 0.6185 2.5171 2.6311 1.5489 1.6839 1.7388 1.4080 2.2833 0.6838 0.1202 0.1047 1.0107 0.0882 2.1857 0.1546 0.2072 1.0340 0.7481 1.0507 0.5115 1.3899 0.3864 3.0425 0.5057 1.4950 1.0244 0.9846 0.9513 1.1655 1.8485 0.4024 0.4958 1.8919 1.1738 3.3686 1.8933 1.2864 1.4341 1.4765 2.6843 0.1026 1.0737 0.2329 0.1095 1.6384 3.2424 0.8857 0.5004 0.6617 0.6094 1.4237 0.7327 2.3342 0.3314 0.5506 0.8736 0.7666 3.3168 1.9679 1.6997 1.7553 2.2687 1.6958 0.1531 0.3151 1.4815 0.3220 1.1888 2.2571 2.0655 3.2629 1.5803 0.3285 0.3761 0.3776 1.6092 0.3251 0.3105 0.1995 2.4480 1.4791 1.5512 1.4219 1.5725 0.2592 2.4724 0.8998 1.2022 0.3117 0.2105 1.7230 0.2699 0.5467 0.8264 0.5154 0.3833 0.5641 1.6699 0.3517 0.2565 0.8162 0.4931 0.6599 3.4988 1.4644 2.0511 0.3220 0.8373 0.4881 1.4237 1.8126 0.8912 3.1910 1.0106 2.0462 0.7570 0.9453 0.9894 1.0896 1.4247 1.2829 1.3532 1.3784 1.1485 2.8217 0.1208 0.0924 0.8306 1.1576 2.3357 0.4793 1.1246 2.7948 0.4257 0.4800 1.7822 0.1165 0.4720 0.0533 1.6577 0.0749 2.1355 0.3691 0.9876 1.3596 0.1736 0.2438 sphinganine-1-phosphate 0.2800 0.9808 0.2800 0.5509 0.2800 0.6205 1.5758 2.0609 2.0286 1.4955 1.7453 1.0221 1.0521 1.1569 1.4157 0.8265 1.2705 0.8705 1.2920 1.1994 0.4499 1.2395 1.3839 0.6953 0.7135 0.8427 0.5229 0.7162 0.6386 1.9639 1.6796 1.8248 0.2800 1.5429 1.4731 2.7339 3.6637 3.1714 0.8567 0.2800 2.7605 0.9114 1.0869 0.8366 0.7835 1.0993 0.7843 0.6921 1.4312 0.4204 0.7037 1.2450 0.7179 1.8793 1.0495 0.7186 1.3679 1.6695 0.9802 1.1069 1.1888 0.8779 1.1391 0.9475 1.2399 1.4350 1.5818 1.0757 1.3005 0.6666 0.5265 0.4487 0.5600 0.2800 0.9582 0.7841 0.7435 0.2800 0.5675 1.0835 1.0618 1.1071 1.0334 1.1080 1.4108 1.3308 0.7078 1.0661 1.1525 1.0285 1.0000 0.9271 2.2234 1.4300 1.4640 1.4242 1.7468 0.5275 0.9938 1.0879 0.8009 0.8174 0.8166 0.2800 0.3777 0.4560 0.5160 0.5491 0.5323 0.7828 0.6346 1.3203 0.9933 0.5264 0.9306 0.6244 0.5613 0.6134 0.7456 0.5267 0.3604 0.7509 0.2800 0.2800 0.3319 0.5153 0.4956 0.5745 0.4383 0.9642 1.1402 0.5420 0.9586 0.9412 0.8066 1.1818 1.1490 1.1661 1.3664 0.2800 0.9911 0.8118 1.0643 1.0919 1.2195 0.9554 1.2556 1.4392 1.2279 1.0649 1.9520 0.9732 1.2921 0.7439 0.9820 0.8287 1.2588 0.8280 1.0760 1.3108 1.3251 1.4177 1.2916 1.3522 1.0198 0.6713 0.3768 0.6193 0.7773 1.1418 1.0936 1.0726 1.0185 1.1403 1.2477 0.9916 0.9390 1.0067 0.9909 1.2409 0.7276 0.9139 0.9884 1.1041 1.2579 0.8735 0.8008 sphingosine 1-phosphate 0.8127 0.9605 0.6700 0.8412 0.6667 0.7799 1.5256 1.4973 1.7687 1.3336 1.3597 0.9859 0.8629 1.1231 1.0591 0.8175 1.0649 0.9261 1.2273 1.0965 0.7807 1.2610 1.3907 0.7707 0.8182 0.9251 0.7404 0.9363 0.8812 1.6335 1.5979 1.7271 0.6736 1.2373 1.3004 1.8358 2.3320 2.4997 0.8215 0.5449 1.8093 1.0835 1.1229 1.1256 1.0631 1.2007 0.8520 0.9150 1.3045 0.6525 0.8144 1.0345 0.8875 1.3686 1.0432 1.0703 1.3223 1.4489 1.0261 1.1734 1.1343 0.9208 1.1647 0.9162 1.2761 1.3919 1.5554 1.1134 1.2688 0.8133 0.7916 0.7277 0.8725 0.8585 1.0522 0.9087 0.8913 0.5235 0.7424 0.9477 1.3161 1.3291 1.2142 1.1283 1.2781 1.2796 0.9272 1.0740 1.1381 1.0541 1.3146 1.1375 1.5907 1.0864 1.1499 1.1760 1.4885 0.6866 0.8759 0.9318 0.8968 1.0549 0.7273 0.6461 0.7278 0.7608 0.6561 0.8596 0.8161 0.8737 0.9202 1.0440 0.9672 0.5334 0.7594 0.8356 0.7197 0.7850 0.7464 0.6613 0.7293 0.7547 0.4919 0.7221 0.5741 0.9153 0.8079 0.8218 0.7160 0.9315 1.0288 0.6062 0.9402 0.8633 0.8720 0.9303 1.2633 1.1673 1.1993 0.8420 1.0046 0.9569 1.2081 1.1203 1.1710 1.1391 1.0620 1.1402 1.0474 1.1148 1.4227 0.9991 1.2598 0.8389 1.1238 0.9712 0.9218 0.9035 1.0844 1.1633 1.0819 1.1184 1.1959 1.0326 0.9739 0.7645 0.6034 0.9358 0.7614 0.9460 1.0122 1.0662 1.1896 0.9272 1.0970 1.0563 1.0222 1.1564 0.9816 1.2055 0.9140 1.0000 0.9278 1.0682 1.1853 0.8300 0.9345 suberate (C8-DC) 1.1636 1.0555 0.4880 1.1994 0.9068 0.4880 1.0668 0.4880 0.8956 1.4731 0.4880 0.4880 0.4880 0.8782 0.4880 0.4880 0.4880 0.8448 0.4880 0.8585 0.7577 0.4880 0.4880 1.0915 0.9668 0.9131 0.7306 1.6262 0.9922 1.0452 0.4880 0.4880 0.4880 0.9557 0.4880 1.1399 1.1179 1.4230 0.4880 0.4880 0.4880 0.4880 0.4880 0.4880 0.4880 1.0939 1.3524 0.4880 0.4880 1.3462 1.2841 0.4880 0.7260 0.4880 1.0566 1.5182 0.4880 0.4880 0.8691 1.8434 1.8002 1.3614 1.3916 0.9135 0.4880 1.0670 1.0286 2.3238 0.4880 0.4880 0.4880 0.4880 0.4880 0.9048 0.8552 0.4880 0.8371 0.9808 0.4880 0.4880 1.0000 0.4880 0.5652 0.4880 2.5960 0.6602 0.4880 1.6340 0.4880 0.8000 0.6640 0.6052 1.0000 0.9455 0.9601 1.1505 1.0332 0.9616 1.3566 0.8440 1.2724 1.4187 1.2000 0.4880 0.7070 0.4880 0.6200 0.4880 0.4880 0.4880 1.1966 0.4880 0.5607 0.6555 1.0011 0.5162 1.3334 1.2539 1.6587 0.9147 0.4880 0.4880 2.8355 0.4880 1.1719 1.0279 0.4880 0.8182 0.8926 0.4880 0.9922 0.6685 0.4880 0.4880 0.7282 0.7635 0.4880 0.4880 0.8298 0.4880 0.4880 0.8094 0.4880 1.1128 0.4880 0.4880 0.6803 0.7600 0.8957 0.4880 1.1185 0.9927 0.7244 0.4880 0.4880 0.8256 0.4880 0.5385 1.0078 1.0145 1.0593 1.5349 0.6682 0.7617 0.8948 1.3369 1.4454 0.4880 0.8939 1.1731 1.3885 0.4880 0.8414 1.4239 0.4880 1.2674 0.4880 0.4880 0.4880 0.4880 0.4880 0.4880 3.0489 0.4880 0.4880 1.2654 0.4880 succinate 1.2424 0.0352 0.0753 0.5041 0.6791 0.9233 1.4555 0.8743 0.2865 0.8853 0.4004 1.3985 1.6375 1.5769 1.6599 1.6964 1.9230 0.9977 1.0434 1.0450 1.0215 1.1086 1.2284 0.9951 1.0962 0.9998 0.9262 1.2409 1.0216 1.1405 1.0781 1.2850 0.7746 0.9254 1.0023 1.2651 1.6106 0.6787 0.0864 0.0723 1.4968 1.2007 0.6482 1.1439 1.3237 0.2754 0.0664 1.2780 1.8564 1.4554 1.3386 1.6745 1.5586 0.9176 1.0163 0.9472 0.9873 1.1397 0.8323 0.9630 0.9476 0.9266 1.0002 0.7435 0.9481 1.1189 1.2132 0.9526 1.0147 1.1592 0.0776 0.6248 1.4856 0.0727 0.3076 0.0765 0.1163 0.0352 0.4705 0.3117 1.5066 1.4983 1.6149 1.7247 1.9741 1.8094 1.0206 1.1181 1.1149 1.1978 1.1174 1.2408 1.2906 0.9981 1.0584 1.0763 1.1026 0.8263 0.8791 0.8257 0.9065 1.0292 0.8285 1.0660 1.1036 0.6922 0.0779 0.7225 0.1273 1.2805 0.1054 0.4670 0.0611 0.0707 0.0747 2.1345 1.8571 1.7815 2.0504 0.8645 1.0229 0.8352 0.8840 0.8361 0.8353 0.8145 0.7648 0.8249 0.7947 1.1186 1.0096 0.9243 0.8081 0.9305 1.0137 1.0307 0.8202 0.1964 0.1174 0.9693 0.1244 1.2394 0.8319 0.1220 0.6277 0.9318 0.0662 1.6680 1.6699 2.1273 2.0550 1.5882 1.5323 0.7224 0.9954 0.9093 0.9154 0.8904 1.0087 1.1938 1.3398 1.4227 1.3145 1.1552 1.1499 1.0079 0.8253 0.9036 0.9900 1.2410 1.1250 0.1183 0.5010 0.1623 0.0921 0.1741 0.6149 2.3750 0.0854 0.2342 0.8740 1.4199 1.9073 1.2084 1.4671 1.6194 1.5597 succinimide 0.7315 0.6918 0.9992 0.6691 0.6307 0.5862 1.1449 0.9798 0.9490 0.6434 0.6751 1.0028 0.9157 0.7858 0.9741 0.5238 1.1272 0.7151 0.7697 0.8615 0.6287 0.4989 1.5920 1.2318 1.2805 0.9077 0.8957 0.9189 1.9689 1.3978 1.8172 2.3350 1.6208 1.2916 1.6029 0.9596 0.8887 0.8816 1.0910 0.8568 0.5507 1.7259 1.6203 1.6246 2.1305 1.1066 1.9338 1.6315 1.0008 0.9870 0.8831 0.9377 1.2353 0.8410 0.8978 0.8072 0.9024 0.9816 1.3411 1.0196 1.3209 1.1088 1.1216 1.1932 0.9945 0.9196 0.8672 0.7213 0.9244 0.6958 0.5817 0.5271 0.7615 0.7184 0.7953 1.1637 1.1739 1.6760 1.1987 1.6352 1.1783 1.8258 1.5726 1.3116 1.9022 1.7584 0.6874 0.8024 0.5805 0.8084 0.7862 0.9435 0.8992 0.6751 0.5209 0.9847 0.9596 1.1052 0.7993 0.8652 0.8761 0.7657 1.0386 1.0598 0.8486 1.1122 0.8955 1.2743 1.0478 0.9338 1.0826 0.6146 0.3947 1.1379 0.6320 3.5429 2.4401 2.0803 2.1474 1.6992 1.2150 2.1709 1.4461 1.6094 1.5582 1.0255 0.8542 0.8990 0.8421 3.1162 3.0580 2.4867 2.2290 2.9573 2.6312 0.6208 0.7391 0.4785 0.9860 0.3947 0.6554 0.5966 0.4707 0.9768 1.1494 1.1406 0.8942 2.1454 1.9281 2.8037 2.4087 2.7117 2.3952 1.0055 1.2425 1.2894 0.8900 1.1866 1.8278 1.0153 0.9100 0.8342 1.4605 0.9142 1.3018 0.9912 1.6908 1.5540 1.1874 0.8208 0.7178 1.5710 1.5180 0.7780 0.9058 1.4442 0.7382 0.9270 0.9863 0.5493 0.9565 1.9097 1.5175 2.6414 1.8811 1.1246 2.4295 threonate 1.1572 0.8836 0.9266 0.8775 1.0693 1.1233 1.4999 1.2059 0.8524 1.0331 1.3101 0.6790 0.7423 0.5160 1.2162 0.6485 0.7279 1.2776 1.7588 1.2595 1.0967 1.3627 1.4889 0.8846 0.6490 1.0163 0.4976 0.7452 0.6460 0.8085 0.7886 0.9993 0.9206 0.7451 0.7017 0.6735 0.6810 0.9009 1.5498 0.4749 0.8011 1.2813 1.2593 1.4316 1.2413 1.1986 1.2036 1.1952 1.1526 0.8813 0.8720 1.2392 1.0685 0.7127 0.5185 0.7548 0.7670 0.5422 1.0123 0.9919 1.4449 1.0342 1.0081 1.0246 1.0401 0.8924 1.1685 1.1378 0.9912 0.8468 0.7167 0.5918 0.7066 1.3279 0.9344 1.7715 1.7509 0.9436 2.0680 1.6958 0.7838 0.6009 0.7555 1.1904 0.6899 0.7175 0.9395 0.9767 1.0979 1.0401 1.0152 1.2495 0.9903 0.9409 1.2845 1.1386 0.8856 1.0406 1.6938 1.3959 1.2447 1.4390 1.2588 0.7953 1.0289 0.8585 0.9350 0.6503 0.9935 0.9649 1.2488 1.0721 1.2901 0.9769 1.1897 1.3373 1.1926 1.8120 1.0761 0.5198 0.6865 0.7692 0.4519 0.6245 0.3690 0.2983 0.2643 0.2857 0.2914 0.9917 1.0173 1.0788 0.7059 1.0576 0.9203 0.2917 0.1690 0.2743 0.3422 0.4129 0.2553 1.4934 1.6765 1.6346 1.2280 1.7454 1.4420 0.6601 0.7652 0.4180 0.6528 1.0000 0.5724 1.1154 1.0065 1.1517 1.2309 0.8405 1.0499 1.5829 1.0842 1.5049 1.4244 1.4427 1.1506 0.7672 0.9049 0.6716 1.0007 0.8953 1.2626 1.0175 1.0909 1.2600 1.1811 1.0819 1.4861 1.4134 1.2749 1.9527 1.2721 0.5566 0.9176 0.3635 0.7214 0.7853 0.6710 uracil 0.7296 0.8849 0.4590 0.4590 1.2632 0.4590 1.0762 0.9518 1.0632 0.4590 0.7750 0.8739 0.4590 0.7063 0.9990 0.4590 0.4590 0.9262 1.0843 1.3066 1.1575 1.2297 0.8675 0.8792 1.0235 0.8893 0.6215 1.2694 0.5203 1.1393 1.2500 0.4590 0.4590 1.0558 0.9550 1.0916 1.2771 1.1250 0.7289 0.7073 0.9189 1.0738 0.4590 0.4590 0.9129 0.8507 0.8035 0.4590 0.8977 0.4590 1.4441 1.2762 1.0512 0.7884 1.0000 0.4590 1.1812 0.4590 0.9951 0.7953 0.6817 0.4590 1.2240 0.8101 0.7593 0.8400 1.2149 0.8586 1.2532 0.4590 0.4590 0.4590 0.4590 1.2320 0.9905 0.9720 0.5569 1.2793 1.2885 0.8848 1.5438 0.4590 0.9258 1.3055 1.1599 0.4590 0.7819 0.4590 0.6119 0.9168 0.4590 1.1951 1.0049 1.2001 1.1950 1.1374 1.3361 0.7307 1.4211 0.4590 0.4590 0.8932 0.9215 1.2449 0.4590 0.4590 0.9844 0.7854 0.4590 0.4590 0.7658 0.7466 1.0327 0.4590 1.2608 1.0630 1.1194 0.4590 0.8732 0.4590 0.5064 0.7369 0.4590 0.4590 1.2812 1.1133 0.4590 1.1913 0.9215 1.5595 0.4590 1.2320 1.5700 0.4590 1.0872 0.6568 0.4590 1.0752 1.3367 0.4590 0.4590 0.7364 1.2412 1.0489 0.8317 1.0814 0.9708 1.1843 1.1468 1.0066 1.2750 0.8766 1.0010 0.6637 0.6842 1.0580 0.6309 0.4590 1.2581 0.9247 1.4417 0.8156 0.9466 0.4900 1.1698 1.4230 0.9569 1.0125 0.9950 1.1914 0.4590 0.4590 1.1640 0.8184 1.0433 0.4590 0.8763 0.9640 1.6283 0.4902 0.7270 0.9067 1.2082 0.8266 1.1162 0.4590 0.4590 vanillactate 3.5163 3.7558 2.9813 1.4320 3.3213 3.5459 0.2798 0.2798 0.2798 0.2798 0.5432 0.2798 0.6099 0.2798 0.6960 0.4931 0.9099 0.2798 0.6090 0.2798 1.0881 1.0780 0.8787 1.2948 1.1738 1.3024 0.4536 0.9700 0.6845 1.9782 0.4004 0.2798 0.2798 1.4704 0.8067 0.2798 2.0512 0.2798 0.2798 0.2798 0.2798 1.2976 0.2798 0.5334 0.2798 1.3559 0.2798 0.2798 0.7152 1.2263 0.6592 0.2798 0.2798 0.2798 0.2798 0.2798 0.2798 0.3922 0.9297 2.2145 1.1627 0.5147 1.7559 1.4416 1.7423 1.2887 0.2798 1.1416 0.8464 0.2798 0.7089 1.2988 0.2798 0.7513 0.2798 1.7830 0.6639 0.8657 1.2079 0.2798 0.9029 0.6440 1.3969 0.2798 0.8802 1.3476 1.8766 0.7814 0.8269 0.7220 0.7264 0.8459 2.0435 0.7052 1.8011 0.7286 0.4871 3.8016 2.2097 1.8617 1.5650 2.6346 1.5568 0.9315 1.2595 0.7180 4.1520 0.7656 0.6508 0.2798 0.2798 1.0288 0.2798 0.4160 0.2798 0.4793 0.2798 0.2798 0.2798 0.8239 1.4432 1.1202 0.9220 1.1820 0.3624 0.2798 0.3299 0.2798 0.5331 0.2798 0.2798 0.7267 0.5575 0.2798 0.2798 0.2798 0.5777 0.2798 0.2798 0.3746 0.2798 1.3228 0.2798 0.2798 0.6866 0.2798 0.5955 1.5491 1.5678 1.6396 0.9447 1.4332 2.0462 0.4846 0.2798 0.2798 0.3231 0.2798 0.2798 1.3267 0.7668 1.0831 1.0300 0.6322 1.3589 0.2798 1.2174 0.2798 0.4460 0.2798 0.5089 0.8684 1.7298 0.2798 1.1633 0.2798 0.2798 0.2798 0.2798 0.2798 0.4825 3.3040 0.2798 1.1629 1.0000 1.6868 1.5282 xanthine 1.1128 1.0999 0.9411 0.9893 1.0876 0.8462 1.1503 1.2647 0.8614 1.0590 0.8506 1.2357 0.9032 1.3528 1.0854 0.8545 1.2285 1.2413 0.9431 1.4172 1.1114 1.5122 1.3691 0.7856 0.8197 0.6680 0.6994 0.8360 0.7510 1.0260 1.1865 1.0575 0.9878 0.8536 1.1801 1.4126 1.2445 1.4055 1.0935 0.9140 1.3163 0.6139 0.5741 0.6459 0.7365 0.5266 0.8394 0.9369 0.7239 0.9477 1.0121 1.0337 0.7520 0.8650 0.9140 0.9019 1.0460 0.7409 0.7865 0.7667 0.9289 0.7096 0.8540 0.8000 0.6973 0.8102 0.8255 0.7955 0.8877 0.9402 1.0066 0.9481 0.9110 1.0534 0.8817 1.0949 1.0100 1.1935 1.0000 1.0386 0.9414 0.7108 0.7585 0.7131 0.9360 0.7577 1.0333 1.0222 0.4715 1.4983 1.0864 1.3086 1.1613 1.0972 1.1250 1.1710 1.2113 1.1657 0.8076 0.8107 0.8786 0.8134 0.9213 1.5094 1.5688 1.7078 1.4856 1.2412 1.3370 0.8328 0.9016 0.8119 0.7698 0.6958 0.8024 0.7937 0.7785 0.6783 0.9013 0.7315 0.8035 0.8419 1.0378 0.8122 1.0456 1.0878 0.9945 1.0549 1.0476 1.2361 1.1462 0.8598 0.8784 0.9632 1.0334 1.0230 1.1092 1.1750 1.2966 1.2050 1.4277 0.8876 1.2150 1.1940 0.9123 1.4169 1.3036 0.9998 1.0869 1.0377 1.4391 0.9495 1.2324 1.1108 1.1424 1.1880 0.7601 1.3871 1.3771 1.0425 1.0745 0.8019 1.4441 1.0055 1.2867 1.1111 1.0122 0.7771 1.1059 0.9288 0.9334 0.8311 1.1755 1.1741 1.0843 1.3332 1.0120 0.7931 1.0755 1.2078 1.0169 0.8984 0.7651 0.9860 0.9722 0.9478 0.9774 xylose 1.0749 0.7565 0.2466 0.2466 0.5193 0.2466 0.2466 1.0206 1.0628 0.2466 0.2466 0.9054 0.8674 1.5470 0.2466 0.2466 0.9425 0.6170 0.7799 0.6242 0.2466 0.2466 0.2466 1.0076 0.9098 0.9891 0.2466 0.2466 0.2466 1.6471 1.3442 0.4077 0.8120 0.2466 0.7689 0.2466 1.2765 0.2466 0.2466 1.0532 1.1462 0.2466 1.2493 1.6022 0.9156 1.4409 0.5937 0.9054 0.6194 0.2466 0.2466 0.6381 0.9867 0.2466 0.8346 1.0734 1.0314 1.0523 0.2466 1.2184 0.2466 1.0271 1.1956 1.0325 1.2056 0.9349 0.2466 1.8785 0.2466 0.8782 0.2466 0.8717 0.7758 0.2466 1.4873 1.2293 1.6484 0.5525 0.2466 0.2466 1.0041 0.2466 0.2466 0.2466 0.2466 0.6311 1.3589 0.9834 1.1033 0.6087 1.6663 1.0321 1.0224 0.8666 0.8746 0.9397 1.1002 1.1492 0.2466 0.2466 0.8756 0.3462 0.7993 0.2466 0.7120 0.9185 0.9649 0.9508 1.4226 0.2466 1.5008 1.3542 1.0269 0.2466 0.2466 0.2466 0.9408 0.2466 0.2466 2.7376 1.0062 0.7246 1.2121 0.8301 0.2466 0.9394 0.8333 0.2466 0.9930 0.9938 0.9032 0.4888 0.2466 0.8252 0.6312 0.2466 0.2466 0.2466 0.4779 0.9959 0.9114 1.4187 1.1452 0.5252 0.2466 0.2466 1.0137 0.2466 0.2466 0.8297 1.1821 1.2020 1.4981 1.5817 2.7082 0.9227 1.2088 1.0742 1.1794 0.5618 1.0706 0.9837 1.0070 1.1252 1.3843 0.2466 1.0968 0.2466 0.6452 2.0980 0.2466 1.4012 0.2466 1.3059 0.2466 1.7406 0.6780 0.6555 0.8440 1.1066 1.2783 1.0214 0.2466 0.2466 0.9885 0.2466 0.2466 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention Index MASS PUBCHEM KEGG 1-methylurate 1900 181.0367 69726 C16359 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 888 810.5291 1-stearoyl-2-oleoyl-GPG (18:0/18:1) 717 775.5495 2,2'-Methylenebis(6-tert-butyl-p-cresol) 703 339.233 8398 2,3-dihydroxyisovalerate 1050 133.0506 677 C04039 2,4-dihydroxybutyrate 1793 119.035 192742 2-aminoadipate 3500 160.0615 469 C00956 2'-deoxyuridine 1100 273.0728 13712 C00526 2-hydroxybutyrate/2-hydroxyisobutyrate 1258 103.0401 2-hydroxyglutarate 3352.8 147.0299 43 C02630 2-hydroxyheptanoate* 925 145.087 2750949 2-hydroxyhippurate (salicylurate) 1123.9 194.0459 10253 C07588 2-keto-3-deoxy-gluconate 1900 177.0405 161227 C00204 2-ketocaprylate 805 157.087 67600 2R,3R-dihydroxybutyrate 1543 119.035 2S,3R-dihydroxybutyrate 1660 119.035 10964471 3,4-dihydroxybutyrate 2204 119.035 3,5-dichloro-2,6-dihydroxybenzoic acid 693 220.9414 3-hydroxy-3-methylglutarate 2850 161.0456 1662 C03761 3-hydroxybutyrate (BHBA) 1480 103.0401 441 C01089 3-hydroxyhippurate 1385 194.0459 450268 3-hydroxyisobutyrate 1619 103.0401 87 C06001 3-hydroxysebacate 2411 217.1081 3017884 3-methylglutaconate 2700 99.0452 1551553 4-hydroxy-2-oxoglutaric acid 3073 161.0092 599 C01127 5-acetylamino-6-amino-3-methyluracil 1710 197.068 88299 C16366 5-acetylamino-6-formylamino-3-methyluracil 1424 225.0629 108214 C16365 allantoin 1672 157.0367 204 C02350 alpha-hydroxyisovalerate 1052 117.0557 99823 alpha-ketobutyrate 940 101.0244 58 C00109 alpha-ketoglutaramate* 1916 144.0302 alpha-ketoglutarate 2700 145.0143 51 C00026 arabinose 1804.5 195.051 66308 C00216 arabitol/xylitol 1932.4 151.0612 6912 C01904 arabonate/xylonate 2700 165.0405 ascorbic acid 2-sulfate 3042 254.9816 86484 ascorbic acid 3-sulfate* 2025 254.9815 11425365 azelate (nonanedioate; C9) 2520 187.0976 2266 C08261 caffeic acid sulfate 1307 258.9918 chiro-inositol 3191.2 225.0616 C19891 decadienedioic acid (C10:2-DC) 2329.7 197.0819 dihydrocaffeate sulfate (2) 1328 261.0074 dihydroorotate 1910 157.0255 648 C00337 erythritol 1491 167.0561 222285 C00503 erythronate* 2186 135.0299 2781043 ethylmalonate 2785 131.035 11756 fructose 2065 225.0616 5984 C00095 fumarate 3084 115.0037 444972 C00122 galactonate 3085 195.051 128869 C00880 gentisate 905 153.0193 3469 C00628 gluconate 2922 195.051 10690 C00257 glucose 2342 225.0616 79025 C00031 glucuronate 3233.3 193.0354 444791 C00191 glutarate (C5-DC) 2900 131.035 743 C00489 glycerate 2070.4 105.0193 752 C00258 glycerophosphoglycerol 2430 245.0432 439964 C03274 guanidinoacetate 2884 116.0466 763 C00581 gulonate* 2750 195.051 9794176 C00257 heptenedioate (C7:1-DC)* 2816 157.0506 homocitrulline 3006.8 188.1041 65072 C02427 hydantoin-5-propionate 2080 171.0411 782 C05565 hypotaurine 2763.4 108.0125 107812 C00519 imidazole propionate 2034.9 139.0513 70630 lactate 1468.8 89.0244 612 C00186 maleate 2640 115.0037 444266 C01384 maltose 3329.4 387.1144 10991489 C00208 mannitol/sorbitol 2320 181.0718 5780 C00794 mannonate* 2736 195.051 3246006 mannose 2200 225.0616 18950 C00159 methylmalonate (MMA) 3078.4 117.0193 487 C02170 methylsuccinate 2800 131.035 10349 myo-inositol 3506.3 225.0616 892 C00137 N6-acetyllysine 2612.6 187.1088 92832 C02727 N-acetylalanine 1564.8 130.051 88064 C02847 N-acetyl-beta-alanine 1750 130.051 76406 C01073 N-acetylglutamate 3106 188.0564 70914 C00624 N-acetylglutamine 2140 187.0724 182230 C02716 N-acetylglycine 1780 116.0353 10972 N-acetylhistidine 2088 196.0728 75619 C02997 N-acetylserine 2000 146.0459 65249 N-acetyltaurine 1249 166.018 159864 N-delta-acetylornithine 2719.9 173.0932 9920500 N-formylanthranilic acid 900 164.0353 101399 C05653 orotate 1638.1 155.0098 967 C00295 orotidine 2250 287.0521 92751 p-cresol glucuronide* 1415 283.0821 154035 pentose acid* 2180 165.0405 perfluorooctanoate (PFOA) 685 412.9664 9554 phenylpyruvate 845 163.0401 997 C00166 propionylglycine (C3) 1502.5 130.051 98681 pyruvate 1083 87.0088 1060 C00022 quinate 2432.9 191.0561 6508 C00296 quinolinate 3000 166.0146 1066 C03722 ribitol 1789.6 151.0612 6912 C00474 ribonate 2425 165.0405 5460677 C01685 ribulonate/xylulonate/lyxonate* 2350 165.0405 salicylate 802 137.0242 338 C00805 sebacate (C10-DC) 2147 201.1132 5192 C08277 S-methylcysteine 1942 134.0281 24417 sphinganine-1-phosphate 1911 380.2571 520 sphingosine 1-phosphate 1850 378.2415 5283560 C06124 suberate (C8-DC) 2577.6 173.0819 10457 C08278 succinate 3149 117.0193 1110 C00042 succinimide 2155 116.0353 11439 C07273 threonate 2384 135.0299 151152 C01620 uracil 1089.7 111.02 1174 C00106 vanillactate 1127 211.0612 160637 xanthine 2023 151.0262 1188 C00385 xylose 1727 195.051 135191 C00181 METABOLITES_END #END